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/MALAT1_29-mer-ff0293f3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1_29-mer-ff0293f3/inputs/seq.fa: 1
curr_seq: _CAGCUGACCCAGGUGCUACACAGAAGUGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGACCCAGGUGCUACACAGAAGUGG
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/MALAT1_29-mer-ff0293f3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1_29-mer-ff0293f3/inputs/seq.fa: 1
curr_seq: _CAGCUGACCCAGGUGCUACACAGAAGUGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGACCCAGGUGCUACACAGAAGUGG
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/MALAT1_29-mer-ff0293f3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1_29-mer-ff0293f3/inputs/seq.fa: 1
curr_seq: _CAGCUGACCCAGGUGCUACACAGAAGUGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGACCCAGGUGCUACACAGAAGUGG
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/MALAT1_29-mer-ff0293f3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1_29-mer-ff0293f3/inputs/seq.fa: 1
curr_seq: _CAGCUGACCCAGGUGCUACACAGAAGUGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGACCCAGGUGCUACACAGAAGUGG
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/MALAT1_29-mer-ff0293f3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1_29-mer-ff0293f3/inputs/seq.fa: 1
curr_seq: _CAGCUGACCCAGGUGCUACACAGAAGUGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGACCCAGGUGCUACACAGAAGUGG
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/MALAT1_29-mer-ff0293f3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1_29-mer-ff0293f3/inputs/seq.fa: 1
curr_seq: _CAGCUGACCCAGGUGCUACACAGAAGUGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGACCCAGGUGCUACACAGAAGUGG
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/MALAT1_29-mer-ff0293f3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1_29-mer-ff0293f3/inputs/seq.fa: 1
curr_seq: _CAGCUGACCCAGGUGCUACACAGAAGUGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGACCCAGGUGCUACACAGAAGUGG
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/MALAT1_29-mer-ff0293f3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1_29-mer-ff0293f3/inputs/seq.fa: 1
curr_seq: _CAGCUGACCCAGGUGCUACACAGAAGUGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGACCCAGGUGCUACACAGAAGUGG
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/MALAT1_29-mer-ff0293f3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1_29-mer-ff0293f3/inputs/seq.fa: 1
curr_seq: _CAGCUGACCCAGGUGCUACACAGAAGUGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGACCCAGGUGCUACACAGAAGUGG
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/MALAT1_29-mer-ff0293f3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1_29-mer-ff0293f3/inputs/seq.fa: 1
curr_seq: _CAGCUGACCCAGGUGCUACACAGAAGUGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGACCCAGGUGCUACACAGAAGUGG
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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: -107.111736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.111736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.111736 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -107.111736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.111736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.111736 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -107.111736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.111736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.111736 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -107.111736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.111736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.111736 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -107.111736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.111736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.111736 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -107.111736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.111736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.111736 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -107.111736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.111736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.111736 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -107.111736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.111736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.111736 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -107.111736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.111736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.111736 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -107.111736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.111736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.111736 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -173.784772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.784772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.784772 (E_RNA)
where:
Base-Base interactions energy: -85.613
where: short stacking energy: -85.613
Base-Backbone interact. energy: -0.044
local terms energy: -88.127705
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -20.910
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -18.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -175.528911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.528911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.528911 (E_RNA)
where:
Base-Base interactions energy: -88.615
where: short stacking energy: -73.098
Base-Backbone interact. energy: -0.042
local terms energy: -86.871779
where:
bonds (distance) C4'-P energy: -18.962
bonds (distance) P-C4' energy: -25.100
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -13.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -176.743453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.743453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.743453 (E_RNA)
where:
Base-Base interactions energy: -100.368
where: short stacking energy: -59.026
Base-Backbone interact. energy: -0.836
local terms energy: -75.538823
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -19.391
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -9.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -133.291965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.291965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.291965 (E_RNA)
where:
Base-Base interactions energy: -59.267
where: short stacking energy: -50.754
Base-Backbone interact. energy: -0.205
local terms energy: -73.820160
where:
bonds (distance) C4'-P energy: -18.068
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -11.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -144.558954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.558954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.558954 (E_RNA)
where:
Base-Base interactions energy: -57.224
where: short stacking energy: -56.678
Base-Backbone interact. energy: -0.076
local terms energy: -87.259885
where:
bonds (distance) C4'-P energy: -22.389
bonds (distance) P-C4' energy: -21.506
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -15.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -150.790271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.790271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.790271 (E_RNA)
where:
Base-Base interactions energy: -64.127
where: short stacking energy: -56.169
Base-Backbone interact. energy: -0.044
local terms energy: -86.619122
where:
bonds (distance) C4'-P energy: -21.442
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -19.447
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -13.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -157.763454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.763454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.763454 (E_RNA)
where:
Base-Base interactions energy: -98.713
where: short stacking energy: -43.250
Base-Backbone interact. energy: -0.770
local terms energy: -58.280649
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -21.510
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -1.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -117.423710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.423710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.423710 (E_RNA)
where:
Base-Base interactions energy: -42.048
where: short stacking energy: -37.756
Base-Backbone interact. energy: -0.121
local terms energy: -75.254904
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -6.652
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -106.497532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.497532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.497532 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.107214
where:
bonds (distance) C4'-P energy: -28.060
bonds (distance) P-C4' energy: -26.833
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -24.282
tors. eta vs tors. theta energy: -7.225
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -106.450090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.450090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.450090 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.059772
where:
bonds (distance) C4'-P energy: -28.060
bonds (distance) P-C4' energy: -26.833
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -24.234
tors. eta vs tors. theta energy: -7.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -166.854822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.854822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.854822 (E_RNA)
where:
Base-Base interactions energy: -72.650
where: short stacking energy: -72.650
Base-Backbone interact. energy: -0.923
local terms energy: -93.281252
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -19.806
flat angles P-C4'-P energy: -19.169
tors. eta vs tors. theta energy: -14.064
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: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -244.536272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.536272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.536272 (E_RNA)
where:
Base-Base interactions energy: -149.131
where: short stacking energy: -81.060
Base-Backbone interact. energy: -0.002
local terms energy: -95.402843
where:
bonds (distance) C4'-P energy: -20.246
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -20.282
flat angles P-C4'-P energy: -11.886
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: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -226.714432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.714432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.714432 (E_RNA)
where:
Base-Base interactions energy: -142.108
where: short stacking energy: -81.240
Base-Backbone interact. energy: -0.262
local terms energy: -84.344728
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -19.903
flat angles C4'-P-C4' energy: -21.163
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -16.343
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: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -161.524967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.524967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.524967 (E_RNA)
where:
Base-Base interactions energy: -68.602
where: short stacking energy: -65.270
Base-Backbone interact. energy: -0.041
local terms energy: -92.881951
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -23.333
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -16.452
tors. eta vs tors. theta energy: -19.685
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: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -163.664811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.664811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.664811 (E_RNA)
where:
Base-Base interactions energy: -90.636
where: short stacking energy: -66.064
Base-Backbone interact. energy: 0.009
local terms energy: -73.038002
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -20.449
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -9.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -181.494678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.494678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.494678 (E_RNA)
where:
Base-Base interactions energy: -97.474
where: short stacking energy: -59.456
Base-Backbone interact. energy: -0.125
local terms energy: -83.895474
where:
bonds (distance) C4'-P energy: -19.304
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -19.858
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -9.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -144.385935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.385935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.385935 (E_RNA)
where:
Base-Base interactions energy: -79.576
where: short stacking energy: -36.114
Base-Backbone interact. energy: -1.542
local terms energy: -63.267990
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: 1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -135.641328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.641328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.641328 (E_RNA)
where:
Base-Base interactions energy: -64.856
where: short stacking energy: -40.437
Base-Backbone interact. energy: 2.114
local terms energy: -72.899229
where:
bonds (distance) C4'-P energy: -21.910
bonds (distance) P-C4' energy: -19.441
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -10.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -136.119175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.119175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.119175 (E_RNA)
where:
Base-Base interactions energy: -75.548
where: short stacking energy: -35.484
Base-Backbone interact. energy: -0.279
local terms energy: -60.291459
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -15.239
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: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -100.535333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.535333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.535333 (E_RNA)
where:
Base-Base interactions energy: -31.789
where: short stacking energy: -24.015
Base-Backbone interact. energy: -0.217
local terms energy: -68.528828
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -19.265
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -3.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -272.032836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.032836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.032836 (E_RNA)
where:
Base-Base interactions energy: -176.483
where: short stacking energy: -81.314
Base-Backbone interact. energy: -0.080
local terms energy: -95.469807
where:
bonds (distance) C4'-P energy: -19.785
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -22.702
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -22.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -232.250595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.250595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.250595 (E_RNA)
where:
Base-Base interactions energy: -142.100
where: short stacking energy: -67.454
Base-Backbone interact. energy: 0.782
local terms energy: -90.932852
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -20.505
flat angles C4'-P-C4' energy: -19.906
flat angles P-C4'-P energy: -17.092
tors. eta vs tors. theta energy: -15.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -177.629381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.629381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.629381 (E_RNA)
where:
Base-Base interactions energy: -86.677
where: short stacking energy: -76.125
Base-Backbone interact. energy: -0.696
local terms energy: -90.256504
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -22.896
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -18.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -200.330690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.330690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.330690 (E_RNA)
where:
Base-Base interactions energy: -110.161
where: short stacking energy: -66.587
Base-Backbone interact. energy: -0.484
local terms energy: -89.686129
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -21.743
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -17.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -189.940101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.940101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.940101 (E_RNA)
where:
Base-Base interactions energy: -119.873
where: short stacking energy: -55.093
Base-Backbone interact. energy: -2.244
local terms energy: -67.822815
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -4.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -144.025918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.025918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.025918 (E_RNA)
where:
Base-Base interactions energy: -76.164
where: short stacking energy: -26.850
Base-Backbone interact. energy: 0.790
local terms energy: -68.651924
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -21.987
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -2.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -123.571738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.571738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.571738 (E_RNA)
where:
Base-Base interactions energy: -43.746
where: short stacking energy: -37.795
Base-Backbone interact. energy: -0.138
local terms energy: -79.686961
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -21.795
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -2.742
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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -111.316165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.316165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.316165 (E_RNA)
where:
Base-Base interactions energy: -49.853
where: short stacking energy: -37.240
Base-Backbone interact. energy: -0.684
local terms energy: -60.778936
where:
bonds (distance) C4'-P energy: -17.831
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -8.629
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: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -114.944941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.944941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.944941 (E_RNA)
where:
Base-Base interactions energy: -43.879
where: short stacking energy: -32.897
Base-Backbone interact. energy: -1.605
local terms energy: -69.460883
where:
bonds (distance) C4'-P energy: -20.728
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -4.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -104.286299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.286299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.286299 (E_RNA)
where:
Base-Base interactions energy: -36.633
where: short stacking energy: -34.013
Base-Backbone interact. energy: -0.415
local terms energy: -67.237691
where:
bonds (distance) C4'-P energy: -19.955
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -5.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -269.862838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.862838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.862838 (E_RNA)
where:
Base-Base interactions energy: -175.693
where: short stacking energy: -84.727
Base-Backbone interact. energy: -0.601
local terms energy: -93.569013
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -20.999
flat angles P-C4'-P energy: -16.121
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: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -252.246165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.246165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.246165 (E_RNA)
where:
Base-Base interactions energy: -163.445
where: short stacking energy: -67.254
Base-Backbone interact. energy: -0.102
local terms energy: -88.698821
where:
bonds (distance) C4'-P energy: -18.354
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -17.910
tors. eta vs tors. theta energy: -15.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -169.098085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.098085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.098085 (E_RNA)
where:
Base-Base interactions energy: -78.421
where: short stacking energy: -74.651
Base-Backbone interact. energy: -0.756
local terms energy: -89.921492
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -21.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -199.634913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.634913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.634913 (E_RNA)
where:
Base-Base interactions energy: -113.142
where: short stacking energy: -58.339
Base-Backbone interact. energy: -0.192
local terms energy: -86.300733
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -15.722
tors. eta vs tors. theta energy: -12.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -185.213577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.213577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.213577 (E_RNA)
where:
Base-Base interactions energy: -111.134
where: short stacking energy: -53.894
Base-Backbone interact. energy: 1.794
local terms energy: -75.873799
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -13.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -152.130612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.130612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.130612 (E_RNA)
where:
Base-Base interactions energy: -70.727
where: short stacking energy: -57.335
Base-Backbone interact. energy: -0.288
local terms energy: -81.114856
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -15.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -120.639185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.639185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.639185 (E_RNA)
where:
Base-Base interactions energy: -54.352
where: short stacking energy: -27.211
Base-Backbone interact. energy: 0.391
local terms energy: -66.677973
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -14.595
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: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -113.250989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.250989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.250989 (E_RNA)
where:
Base-Base interactions energy: -48.323
where: short stacking energy: -45.320
Base-Backbone interact. energy: -0.405
local terms energy: -64.523520
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -5.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -113.093188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.093188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.093188 (E_RNA)
where:
Base-Base interactions energy: -50.930
where: short stacking energy: -20.905
Base-Backbone interact. energy: -0.619
local terms energy: -61.543579
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -103.340689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.340689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.340689 (E_RNA)
where:
Base-Base interactions energy: -36.043
where: short stacking energy: -26.731
Base-Backbone interact. energy: -0.008
local terms energy: -67.290065
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -13.623
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: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -276.369896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.369896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.369896 (E_RNA)
where:
Base-Base interactions energy: -175.575
where: short stacking energy: -80.246
Base-Backbone interact. energy: -1.109
local terms energy: -99.685478
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -24.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -242.553144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.553144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.553144 (E_RNA)
where:
Base-Base interactions energy: -159.611
where: short stacking energy: -67.089
Base-Backbone interact. energy: 0.026
local terms energy: -82.968173
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -20.611
flat angles C4'-P-C4' energy: -20.985
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -9.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -223.766741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.766741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.766741 (E_RNA)
where:
Base-Base interactions energy: -130.101
where: short stacking energy: -77.866
Base-Backbone interact. energy: -0.071
local terms energy: -93.594693
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -17.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -169.623704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.623704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.623704 (E_RNA)
where:
Base-Base interactions energy: -82.491
where: short stacking energy: -63.688
Base-Backbone interact. energy: -0.337
local terms energy: -86.795746
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -20.976
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -16.331
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: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -202.177274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.177274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.177274 (E_RNA)
where:
Base-Base interactions energy: -126.351
where: short stacking energy: -61.799
Base-Backbone interact. energy: -0.089
local terms energy: -75.736706
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -19.130
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -14.612
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: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -126.020968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.020968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.020968 (E_RNA)
where:
Base-Base interactions energy: -59.371
where: short stacking energy: -39.624
Base-Backbone interact. energy: -0.293
local terms energy: -66.356911
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -8.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -116.407176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.407176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.407176 (E_RNA)
where:
Base-Base interactions energy: -40.738
where: short stacking energy: -28.842
Base-Backbone interact. energy: -0.183
local terms energy: -75.486627
where:
bonds (distance) C4'-P energy: -18.743
bonds (distance) P-C4' energy: -23.129
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -1.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -113.998917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.998917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.998917 (E_RNA)
where:
Base-Base interactions energy: -43.647
where: short stacking energy: -33.884
Base-Backbone interact. energy: -0.366
local terms energy: -69.986106
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -20.587
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -6.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -102.931118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.931118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.931118 (E_RNA)
where:
Base-Base interactions energy: -34.190
where: short stacking energy: -29.204
Base-Backbone interact. energy: -0.195
local terms energy: -68.545706
where:
bonds (distance) C4'-P energy: -19.072
bonds (distance) P-C4' energy: -22.606
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -0.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -102.156164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.156164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.156164 (E_RNA)
where:
Base-Base interactions energy: -44.536
where: short stacking energy: -19.719
Base-Backbone interact. energy: 1.027
local terms energy: -58.647172
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -22.402
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: 3.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -284.194811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.194811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.194811 (E_RNA)
where:
Base-Base interactions energy: -181.148
where: short stacking energy: -92.752
Base-Backbone interact. energy: -0.255
local terms energy: -102.792181
where:
bonds (distance) C4'-P energy: -23.557
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -17.401
tors. eta vs tors. theta energy: -27.898
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: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -259.952731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.952731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.952731 (E_RNA)
where:
Base-Base interactions energy: -165.473
where: short stacking energy: -84.797
Base-Backbone interact. energy: -0.227
local terms energy: -94.252470
where:
bonds (distance) C4'-P energy: -22.175
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -19.894
flat angles P-C4'-P energy: -16.494
tors. eta vs tors. theta energy: -17.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -243.137919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.137919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.137919 (E_RNA)
where:
Base-Base interactions energy: -140.694
where: short stacking energy: -88.175
Base-Backbone interact. energy: -0.013
local terms energy: -102.431154
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -19.196
flat angles P-C4'-P energy: -15.743
tors. eta vs tors. theta energy: -26.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -212.667735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.667735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.667735 (E_RNA)
where:
Base-Base interactions energy: -133.243
where: short stacking energy: -56.306
Base-Backbone interact. energy: -0.220
local terms energy: -79.204818
where:
bonds (distance) C4'-P energy: -22.782
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -166.591437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.591437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.591437 (E_RNA)
where:
Base-Base interactions energy: -90.703
where: short stacking energy: -45.615
Base-Backbone interact. energy: -0.977
local terms energy: -74.911183
where:
bonds (distance) C4'-P energy: -20.868
bonds (distance) P-C4' energy: -20.650
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -7.222
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: 4
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -134.625093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.625093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.625093 (E_RNA)
where:
Base-Base interactions energy: -59.486
where: short stacking energy: -41.402
Base-Backbone interact. energy: -0.874
local terms energy: -74.264455
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -22.596
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -2.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -142.296586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.296586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.296586 (E_RNA)
where:
Base-Base interactions energy: -72.315
where: short stacking energy: -48.319
Base-Backbone interact. energy: -0.124
local terms energy: -69.857935
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -8.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -122.076680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.076680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.076680 (E_RNA)
where:
Base-Base interactions energy: -50.235
where: short stacking energy: -41.846
Base-Backbone interact. energy: -0.031
local terms energy: -71.809917
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -23.138
flat angles C4'-P-C4' energy: -20.022
flat angles P-C4'-P energy: -3.910
tors. eta vs tors. theta energy: -8.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -108.506831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.506831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.506831 (E_RNA)
where:
Base-Base interactions energy: -42.150
where: short stacking energy: -35.531
Base-Backbone interact. energy: -0.577
local terms energy: -65.779802
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -106.995854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.995854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.995854 (E_RNA)
where:
Base-Base interactions energy: -48.470
where: short stacking energy: -37.701
Base-Backbone interact. energy: -0.164
local terms energy: -58.362120
where:
bonds (distance) C4'-P energy: -18.292
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -0.086
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: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -265.122798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.122798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.122798 (E_RNA)
where:
Base-Base interactions energy: -177.601
where: short stacking energy: -76.753
Base-Backbone interact. energy: 0.203
local terms energy: -87.724127
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -18.803
flat angles C4'-P-C4' energy: -19.870
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -16.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -284.306646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.306646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.306646 (E_RNA)
where:
Base-Base interactions energy: -185.976
where: short stacking energy: -84.359
Base-Backbone interact. energy: -0.116
local terms energy: -98.215047
where:
bonds (distance) C4'-P energy: -20.452
bonds (distance) P-C4' energy: -20.096
flat angles C4'-P-C4' energy: -19.381
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -25.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -206.900030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.900030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.900030 (E_RNA)
where:
Base-Base interactions energy: -115.994
where: short stacking energy: -72.424
Base-Backbone interact. energy: -0.010
local terms energy: -90.895650
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -22.150
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -23.095
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: 7
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -224.053613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.053613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.053613 (E_RNA)
where:
Base-Base interactions energy: -145.483
where: short stacking energy: -80.215
Base-Backbone interact. energy: 0.800
local terms energy: -79.370321
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -22.415
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -12.122
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: 4
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -143.746872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.746872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.746872 (E_RNA)
where:
Base-Base interactions energy: -72.745
where: short stacking energy: -54.574
Base-Backbone interact. energy: -0.301
local terms energy: -70.700471
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -18.172
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -10.549
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: 5
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -131.906300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.906300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.906300 (E_RNA)
where:
Base-Base interactions energy: -67.175
where: short stacking energy: -53.104
Base-Backbone interact. energy: 0.551
local terms energy: -65.282716
where:
bonds (distance) C4'-P energy: -21.603
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -1.659
tors. eta vs tors. theta energy: -7.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -142.482712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.482712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.482712 (E_RNA)
where:
Base-Base interactions energy: -73.929
where: short stacking energy: -39.226
Base-Backbone interact. energy: -0.426
local terms energy: -68.127370
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -20.405
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -7.532
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: 8, replica: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -114.528164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.528164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.528164 (E_RNA)
where:
Base-Base interactions energy: -39.638
where: short stacking energy: -27.406
Base-Backbone interact. energy: -0.815
local terms energy: -74.074953
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -22.025
flat angles C4'-P-C4' energy: -21.405
flat angles P-C4'-P energy: -9.910
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: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -105.774868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.774868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.774868 (E_RNA)
where:
Base-Base interactions energy: -32.461
where: short stacking energy: -32.461
Base-Backbone interact. energy: -0.457
local terms energy: -72.856546
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -19.819
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -5.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -90.257810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.257810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.257810 (E_RNA)
where:
Base-Base interactions energy: -32.245
where: short stacking energy: -26.124
Base-Backbone interact. energy: -0.157
local terms energy: -57.856349
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -9.846
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -270.470597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.470597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.470597 (E_RNA)
where:
Base-Base interactions energy: -174.289
where: short stacking energy: -87.928
Base-Backbone interact. energy: -0.969
local terms energy: -95.212654
where:
bonds (distance) C4'-P energy: -19.446
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -283.641006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.641006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.641006 (E_RNA)
where:
Base-Base interactions energy: -186.808
where: short stacking energy: -79.895
Base-Backbone interact. energy: -0.161
local terms energy: -96.671933
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -23.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -226.712906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.712906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.712906 (E_RNA)
where:
Base-Base interactions energy: -131.884
where: short stacking energy: -71.594
Base-Backbone interact. energy: 0.053
local terms energy: -94.881307
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -23.730
flat angles C4'-P-C4' energy: -21.741
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -17.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -230.324043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.324043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.324043 (E_RNA)
where:
Base-Base interactions energy: -139.776
where: short stacking energy: -60.212
Base-Backbone interact. energy: -0.120
local terms energy: -90.427617
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -21.841
flat angles C4'-P-C4' energy: -21.600
flat angles P-C4'-P energy: -14.817
tors. eta vs tors. theta energy: -10.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -137.616635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.616635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.616635 (E_RNA)
where:
Base-Base interactions energy: -57.298
where: short stacking energy: -48.623
Base-Backbone interact. energy: -0.168
local terms energy: -80.150443
where:
bonds (distance) C4'-P energy: -21.796
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -7.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -149.551087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.551087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.551087 (E_RNA)
where:
Base-Base interactions energy: -79.823
where: short stacking energy: -60.124
Base-Backbone interact. energy: -0.114
local terms energy: -69.613659
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -10.626
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: 7, replica: 5
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -126.643034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.643034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.643034 (E_RNA)
where:
Base-Base interactions energy: -53.005
where: short stacking energy: -52.092
Base-Backbone interact. energy: -0.070
local terms energy: -73.567991
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -19.235
flat angles P-C4'-P energy: -15.374
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: 8, replica: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -109.027239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.027239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.027239 (E_RNA)
where:
Base-Base interactions energy: -42.457
where: short stacking energy: -37.119
Base-Backbone interact. energy: -0.067
local terms energy: -66.502729
where:
bonds (distance) C4'-P energy: -19.753
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -11.669
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: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -109.740670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.740670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.740670 (E_RNA)
where:
Base-Base interactions energy: -46.000
where: short stacking energy: -38.910
Base-Backbone interact. energy: -0.422
local terms energy: -63.318967
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -13.186
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: 6
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -98.115856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.115856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.115856 (E_RNA)
where:
Base-Base interactions energy: -44.462
where: short stacking energy: -18.050
Base-Backbone interact. energy: -0.170
local terms energy: -53.483860
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: 3.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -286.211018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.211018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.211018 (E_RNA)
where:
Base-Base interactions energy: -193.223
where: short stacking energy: -86.481
Base-Backbone interact. energy: -0.169
local terms energy: -92.819023
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -19.612
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -23.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -275.819212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.819212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.819212 (E_RNA)
where:
Base-Base interactions energy: -178.935
where: short stacking energy: -84.047
Base-Backbone interact. energy: -0.936
local terms energy: -95.949107
where:
bonds (distance) C4'-P energy: -21.800
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -23.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -259.517278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.517278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.517278 (E_RNA)
where:
Base-Base interactions energy: -169.689
where: short stacking energy: -66.559
Base-Backbone interact. energy: -2.069
local terms energy: -87.759256
where:
bonds (distance) C4'-P energy: -19.711
bonds (distance) P-C4' energy: -21.569
flat angles C4'-P-C4' energy: -19.500
flat angles P-C4'-P energy: -12.422
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: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -214.808004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.808004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.808004 (E_RNA)
where:
Base-Base interactions energy: -115.283
where: short stacking energy: -78.278
Base-Backbone interact. energy: -0.245
local terms energy: -99.279699
where:
bonds (distance) C4'-P energy: -20.849
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -20.997
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -23.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -154.959797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.959797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.959797 (E_RNA)
where:
Base-Base interactions energy: -73.618
where: short stacking energy: -50.570
Base-Backbone interact. energy: 1.317
local terms energy: -82.658619
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -23.324
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -11.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -139.771957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.771957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.771957 (E_RNA)
where:
Base-Base interactions energy: -62.914
where: short stacking energy: -34.699
Base-Backbone interact. energy: -0.283
local terms energy: -76.575214
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -19.752
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -4.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -124.142287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.142287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.142287 (E_RNA)
where:
Base-Base interactions energy: -49.329
where: short stacking energy: -46.806
Base-Backbone interact. energy: -0.901
local terms energy: -73.912650
where:
bonds (distance) C4'-P energy: -22.243
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -7.259
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: 8, replica: 5
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -102.841860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.841860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.841860 (E_RNA)
where:
Base-Base interactions energy: -39.380
where: short stacking energy: -38.146
Base-Backbone interact. energy: -0.251
local terms energy: -63.210508
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -12.669
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: 9, replica: 6
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -106.806523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.806523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.806523 (E_RNA)
where:
Base-Base interactions energy: -51.743
where: short stacking energy: -34.202
Base-Backbone interact. energy: -0.351
local terms energy: -54.712897
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: 1.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -92.055879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.055879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.055879 (E_RNA)
where:
Base-Base interactions energy: -39.860
where: short stacking energy: -36.686
Base-Backbone interact. energy: 0.913
local terms energy: -53.109395
where:
bonds (distance) C4'-P energy: -9.665
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -9.543
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: 11
Temperature: 0.900000
Total energy: -294.321084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.321084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.321084 (E_RNA)
where:
Base-Base interactions energy: -191.094
where: short stacking energy: -85.205
Base-Backbone interact. energy: -0.192
local terms energy: -103.034661
where:
bonds (distance) C4'-P energy: -22.641
bonds (distance) P-C4' energy: -23.691
flat angles C4'-P-C4' energy: -20.371
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -25.185
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: 7
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -282.471539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.471539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.471539 (E_RNA)
where:
Base-Base interactions energy: -190.853
where: short stacking energy: -78.015
Base-Backbone interact. energy: -0.175
local terms energy: -91.443473
where:
bonds (distance) C4'-P energy: -19.554
bonds (distance) P-C4' energy: -19.752
flat angles C4'-P-C4' energy: -21.823
flat angles P-C4'-P energy: -17.332
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: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -263.779015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.779015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.779015 (E_RNA)
where:
Base-Base interactions energy: -174.693
where: short stacking energy: -82.344
Base-Backbone interact. energy: -0.446
local terms energy: -88.640127
where:
bonds (distance) C4'-P energy: -21.015
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -21.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -138.678136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.678136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.678136 (E_RNA)
where:
Base-Base interactions energy: -62.907
where: short stacking energy: -62.907
Base-Backbone interact. energy: -0.019
local terms energy: -75.752610
where:
bonds (distance) C4'-P energy: -9.985
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -15.390
tors. eta vs tors. theta energy: -11.323
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: 11
Temperature: 1.100000
Total energy: -197.626116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.626116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.626116 (E_RNA)
where:
Base-Base interactions energy: -117.453
where: short stacking energy: -68.444
Base-Backbone interact. energy: -0.048
local terms energy: -80.125332
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -21.833
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -13.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -129.921221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.921221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.921221 (E_RNA)
where:
Base-Base interactions energy: -54.922
where: short stacking energy: -41.310
Base-Backbone interact. energy: -0.375
local terms energy: -74.623949
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -14.290
tors. eta vs tors. theta energy: -12.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -130.557089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.557089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.557089 (E_RNA)
where:
Base-Base interactions energy: -57.487
where: short stacking energy: -42.887
Base-Backbone interact. energy: -0.106
local terms energy: -72.964139
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -21.209
flat angles C4'-P-C4' energy: -9.900
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -13.155
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: 8, replica: 6
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -127.580672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.580672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.580672 (E_RNA)
where:
Base-Base interactions energy: -59.019
where: short stacking energy: -30.513
Base-Backbone interact. energy: -0.948
local terms energy: -67.613526
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -22.550
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: 1.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -110.287960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.287960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.287960 (E_RNA)
where:
Base-Base interactions energy: -43.105
where: short stacking energy: -43.105
Base-Backbone interact. energy: -0.322
local terms energy: -66.861195
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -105.660771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.660771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.660771 (E_RNA)
where:
Base-Base interactions energy: -38.384
where: short stacking energy: -23.922
Base-Backbone interact. energy: -0.161
local terms energy: -67.115695
where:
bonds (distance) C4'-P energy: -21.438
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: 0.357
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: 7
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -288.813984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.813984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.813984 (E_RNA)
where:
Base-Base interactions energy: -192.769
where: short stacking energy: -86.776
Base-Backbone interact. energy: -1.163
local terms energy: -94.881633
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -20.261
flat angles C4'-P-C4' energy: -20.716
flat angles P-C4'-P energy: -10.043
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: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -280.764210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.764210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.764210 (E_RNA)
where:
Base-Base interactions energy: -183.594
where: short stacking energy: -82.048
Base-Backbone interact. energy: -0.104
local terms energy: -97.066609
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -22.895
flat angles C4'-P-C4' energy: -22.833
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -22.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -268.855769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.855769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.855769 (E_RNA)
where:
Base-Base interactions energy: -175.392
where: short stacking energy: -69.355
Base-Backbone interact. energy: -0.894
local terms energy: -92.569834
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -21.163
flat angles P-C4'-P energy: -15.410
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: 4, replica: 8
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -165.946394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.946394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.946394 (E_RNA)
where:
Base-Base interactions energy: -79.631
where: short stacking energy: -63.583
Base-Backbone interact. energy: -0.024
local terms energy: -86.291525
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -19.698
flat angles C4'-P-C4' energy: -22.036
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -15.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -204.118460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.118460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.118460 (E_RNA)
where:
Base-Base interactions energy: -128.795
where: short stacking energy: -62.480
Base-Backbone interact. energy: -0.048
local terms energy: -75.276255
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -16.835
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -11.360
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: 4
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -146.513147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.513147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.513147 (E_RNA)
where:
Base-Base interactions energy: -76.520
where: short stacking energy: -62.492
Base-Backbone interact. energy: -0.830
local terms energy: -69.163090
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -10.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -128.216894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.216894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.216894 (E_RNA)
where:
Base-Base interactions energy: -55.855
where: short stacking energy: -50.655
Base-Backbone interact. energy: -0.203
local terms energy: -72.158321
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -24.853
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -8.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -118.909413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.909413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.909413 (E_RNA)
where:
Base-Base interactions energy: -46.199
where: short stacking energy: -46.199
Base-Backbone interact. energy: -0.070
local terms energy: -72.640214
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -21.519
flat angles P-C4'-P energy: -3.973
tors. eta vs tors. theta energy: -5.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -114.536787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.536787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.536787 (E_RNA)
where:
Base-Base interactions energy: -51.078
where: short stacking energy: -37.294
Base-Backbone interact. energy: 0.406
local terms energy: -63.865154
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -19.424
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -13.231
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: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -103.539388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.539388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.539388 (E_RNA)
where:
Base-Base interactions energy: -38.900
where: short stacking energy: -32.832
Base-Backbone interact. energy: -0.788
local terms energy: -63.851633
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -19.539
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -7.901
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: 1, replica: 7
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -288.274452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.274452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.274452 (E_RNA)
where:
Base-Base interactions energy: -195.833
where: short stacking energy: -85.422
Base-Backbone interact. energy: -0.994
local terms energy: -91.448069
where:
bonds (distance) C4'-P energy: -21.052
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -19.809
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -18.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -283.067778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.067778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.067778 (E_RNA)
where:
Base-Base interactions energy: -187.151
where: short stacking energy: -80.234
Base-Backbone interact. energy: -0.238
local terms energy: -95.679015
where:
bonds (distance) C4'-P energy: -20.021
bonds (distance) P-C4' energy: -22.503
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -21.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -265.947716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.947716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.947716 (E_RNA)
where:
Base-Base interactions energy: -181.167
where: short stacking energy: -78.220
Base-Backbone interact. energy: -0.850
local terms energy: -83.931234
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -21.044
flat angles P-C4'-P energy: -4.798
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: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -221.874432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.874432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.874432 (E_RNA)
where:
Base-Base interactions energy: -127.232
where: short stacking energy: -71.011
Base-Backbone interact. energy: -0.266
local terms energy: -94.376518
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -19.427
flat angles P-C4'-P energy: -19.964
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: 5, replica: 8
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -155.705754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.705754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.705754 (E_RNA)
where:
Base-Base interactions energy: -82.175
where: short stacking energy: -42.628
Base-Backbone interact. energy: 1.141
local terms energy: -74.671009
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -24.826
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -134.292176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.292176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.292176 (E_RNA)
where:
Base-Base interactions energy: -67.061
where: short stacking energy: -47.141
Base-Backbone interact. energy: -0.373
local terms energy: -66.858039
where:
bonds (distance) C4'-P energy: -17.921
bonds (distance) P-C4' energy: -19.772
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -6.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -120.067336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.067336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.067336 (E_RNA)
where:
Base-Base interactions energy: -52.744
where: short stacking energy: -31.859
Base-Backbone interact. energy: -0.293
local terms energy: -67.030881
where:
bonds (distance) C4'-P energy: -20.357
bonds (distance) P-C4' energy: -20.052
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: 2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -118.931343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.931343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.931343 (E_RNA)
where:
Base-Base interactions energy: -49.663
where: short stacking energy: -32.278
Base-Backbone interact. energy: 1.233
local terms energy: -70.500495
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -8.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -109.843834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.843834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.843834 (E_RNA)
where:
Base-Base interactions energy: -35.643
where: short stacking energy: -35.643
Base-Backbone interact. energy: -0.105
local terms energy: -74.095341
where:
bonds (distance) C4'-P energy: -19.963
bonds (distance) P-C4' energy: -23.561
flat angles C4'-P-C4' energy: -18.989
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -4.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -97.771964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.771964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.771964 (E_RNA)
where:
Base-Base interactions energy: -31.180
where: short stacking energy: -31.180
Base-Backbone interact. energy: -0.183
local terms energy: -66.408386
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -4.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -289.534808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.534808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.534808 (E_RNA)
where:
Base-Base interactions energy: -191.696
where: short stacking energy: -82.820
Base-Backbone interact. energy: -0.137
local terms energy: -97.701405
where:
bonds (distance) C4'-P energy: -21.818
bonds (distance) P-C4' energy: -20.498
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -13.987
tors. eta vs tors. theta energy: -22.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -287.911558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.911558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.911558 (E_RNA)
where:
Base-Base interactions energy: -189.474
where: short stacking energy: -78.404
Base-Backbone interact. energy: -0.569
local terms energy: -97.869017
where:
bonds (distance) C4'-P energy: -20.091
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -21.613
flat angles P-C4'-P energy: -18.067
tors. eta vs tors. theta energy: -18.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -268.288337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.288337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.288337 (E_RNA)
where:
Base-Base interactions energy: -179.829
where: short stacking energy: -85.004
Base-Backbone interact. energy: -0.159
local terms energy: -88.300627
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -20.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -223.542960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.542960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.542960 (E_RNA)
where:
Base-Base interactions energy: -134.669
where: short stacking energy: -77.316
Base-Backbone interact. energy: -0.642
local terms energy: -88.232220
where:
bonds (distance) C4'-P energy: -24.045
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -21.896
flat angles P-C4'-P energy: -8.638
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: 5, replica: 8
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -170.474282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.474282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.474282 (E_RNA)
where:
Base-Base interactions energy: -96.930
where: short stacking energy: -55.818
Base-Backbone interact. energy: -0.308
local terms energy: -73.235863
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -10.741
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: 6
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -147.945441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.945441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.945441 (E_RNA)
where:
Base-Base interactions energy: -61.793
where: short stacking energy: -55.619
Base-Backbone interact. energy: -1.134
local terms energy: -85.018532
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -21.374
flat angles C4'-P-C4' energy: -19.093
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -15.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -125.240619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.240619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.240619 (E_RNA)
where:
Base-Base interactions energy: -51.270
where: short stacking energy: -47.095
Base-Backbone interact. energy: -0.176
local terms energy: -73.794682
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -8.674
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: 5
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -105.982935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.982935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.982935 (E_RNA)
where:
Base-Base interactions energy: -33.335
where: short stacking energy: -28.625
Base-Backbone interact. energy: -0.482
local terms energy: -72.166212
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -18.120
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -4.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -109.775781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.775781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.775781 (E_RNA)
where:
Base-Base interactions energy: -40.526
where: short stacking energy: -39.076
Base-Backbone interact. energy: 4.193
local terms energy: -73.443366
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -20.314
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -7.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -100.648494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.648494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.648494 (E_RNA)
where:
Base-Base interactions energy: -44.732
where: short stacking energy: -37.903
Base-Backbone interact. energy: -0.057
local terms energy: -55.859489
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -22.799
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: 0.090
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: 1, replica: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -288.547043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.547043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.547043 (E_RNA)
where:
Base-Base interactions energy: -197.367
where: short stacking energy: -85.854
Base-Backbone interact. energy: -0.335
local terms energy: -90.845399
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -24.248
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: 2, replica: 7
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -276.888688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.888688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.888688 (E_RNA)
where:
Base-Base interactions energy: -187.927
where: short stacking energy: -86.460
Base-Backbone interact. energy: 1.097
local terms energy: -90.058584
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -22.092
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -20.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -259.196800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.196800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.196800 (E_RNA)
where:
Base-Base interactions energy: -170.708
where: short stacking energy: -62.541
Base-Backbone interact. energy: -0.347
local terms energy: -88.141918
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -22.300
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -14.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -220.975168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.975168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.975168 (E_RNA)
where:
Base-Base interactions energy: -129.576
where: short stacking energy: -78.173
Base-Backbone interact. energy: -0.080
local terms energy: -91.319546
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -19.691
flat angles C4'-P-C4' energy: -20.103
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -22.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -178.770424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.770424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.770424 (E_RNA)
where:
Base-Base interactions energy: -106.441
where: short stacking energy: -55.489
Base-Backbone interact. energy: -0.072
local terms energy: -72.257494
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -21.533
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -12.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -144.318080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.318080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.318080 (E_RNA)
where:
Base-Base interactions energy: -73.914
where: short stacking energy: -50.783
Base-Backbone interact. energy: -0.049
local terms energy: -70.355011
where:
bonds (distance) C4'-P energy: -23.424
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -9.610
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: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -115.668997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.668997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.668997 (E_RNA)
where:
Base-Base interactions energy: -52.357
where: short stacking energy: -39.006
Base-Backbone interact. energy: 0.745
local terms energy: -64.056184
where:
bonds (distance) C4'-P energy: -21.661
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -9.621
flat angles P-C4'-P energy: -10.765
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: 8, replica: 9
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -111.650520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.650520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.650520 (E_RNA)
where:
Base-Base interactions energy: -39.031
where: short stacking energy: -35.682
Base-Backbone interact. energy: -0.285
local terms energy: -72.334632
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -10.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -103.948660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.948660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.948660 (E_RNA)
where:
Base-Base interactions energy: -37.690
where: short stacking energy: -29.950
Base-Backbone interact. energy: -0.338
local terms energy: -65.920746
where:
bonds (distance) C4'-P energy: -17.774
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -19.772
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -3.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -103.402999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.402999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.402999 (E_RNA)
where:
Base-Base interactions energy: -46.514
where: short stacking energy: -33.401
Base-Backbone interact. energy: 0.134
local terms energy: -57.022916
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -9.866
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: 1, replica: 7
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -295.734549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.734549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.734549 (E_RNA)
where:
Base-Base interactions energy: -199.993
where: short stacking energy: -80.714
Base-Backbone interact. energy: 3.273
local terms energy: -99.015104
where:
bonds (distance) C4'-P energy: -19.977
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -22.047
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -21.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -273.911948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.911948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.911948 (E_RNA)
where:
Base-Base interactions energy: -182.906
where: short stacking energy: -82.544
Base-Backbone interact. energy: -0.661
local terms energy: -90.344990
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -11.480
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: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -267.548762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.548762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.548762 (E_RNA)
where:
Base-Base interactions energy: -170.851
where: short stacking energy: -84.598
Base-Backbone interact. energy: 0.571
local terms energy: -97.267873
where:
bonds (distance) C4'-P energy: -20.973
bonds (distance) P-C4' energy: -21.276
flat angles C4'-P-C4' energy: -20.418
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -22.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -214.349560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.349560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.349560 (E_RNA)
where:
Base-Base interactions energy: -124.454
where: short stacking energy: -64.245
Base-Backbone interact. energy: -0.259
local terms energy: -89.637148
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -20.636
flat angles P-C4'-P energy: -16.593
tors. eta vs tors. theta energy: -13.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -133.276375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.276375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.276375 (E_RNA)
where:
Base-Base interactions energy: -56.571
where: short stacking energy: -56.571
Base-Backbone interact. energy: -0.253
local terms energy: -76.452746
where:
bonds (distance) C4'-P energy: -22.919
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -19.452
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -7.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -155.277230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.277230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.277230 (E_RNA)
where:
Base-Base interactions energy: -84.322
where: short stacking energy: -42.301
Base-Backbone interact. energy: -0.175
local terms energy: -70.779758
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -5.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -128.701267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.701267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.701267 (E_RNA)
where:
Base-Base interactions energy: -58.474
where: short stacking energy: -49.787
Base-Backbone interact. energy: -0.111
local terms energy: -70.116428
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -12.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -116.523740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.523740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.523740 (E_RNA)
where:
Base-Base interactions energy: -58.579
where: short stacking energy: -39.737
Base-Backbone interact. energy: -0.418
local terms energy: -57.527009
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -1.274
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: 5
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -140.748516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.748516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.748516 (E_RNA)
where:
Base-Base interactions energy: -64.568
where: short stacking energy: -43.003
Base-Backbone interact. energy: -0.030
local terms energy: -76.150084
where:
bonds (distance) C4'-P energy: -22.368
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -8.662
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: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -108.230488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.230488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.230488 (E_RNA)
where:
Base-Base interactions energy: -49.206
where: short stacking energy: -27.007
Base-Backbone interact. energy: -1.255
local terms energy: -57.769670
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -22.240
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -6.981
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: 1, replica: 7
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -284.942024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.942024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.942024 (E_RNA)
where:
Base-Base interactions energy: -198.735
where: short stacking energy: -83.580
Base-Backbone interact. energy: -1.431
local terms energy: -84.776284
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -22.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -281.924331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.924331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.924331 (E_RNA)
where:
Base-Base interactions energy: -189.348
where: short stacking energy: -74.805
Base-Backbone interact. energy: -0.152
local terms energy: -92.423918
where:
bonds (distance) C4'-P energy: -20.498
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -20.517
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: 3, replica: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -270.224921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.224921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.224921 (E_RNA)
where:
Base-Base interactions energy: -180.817
where: short stacking energy: -84.402
Base-Backbone interact. energy: -0.178
local terms energy: -89.229846
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -20.299
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -19.562
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: 2
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -215.299065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.299065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.299065 (E_RNA)
where:
Base-Base interactions energy: -130.386
where: short stacking energy: -58.742
Base-Backbone interact. energy: -0.193
local terms energy: -84.720099
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -20.878
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -13.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -152.597963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.597963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.597963 (E_RNA)
where:
Base-Base interactions energy: -87.018
where: short stacking energy: -58.094
Base-Backbone interact. energy: 4.647
local terms energy: -70.227619
where:
bonds (distance) C4'-P energy: -10.181
bonds (distance) P-C4' energy: -22.958
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -7.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -175.938696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.938696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.938696 (E_RNA)
where:
Base-Base interactions energy: -106.419
where: short stacking energy: -62.863
Base-Backbone interact. energy: -0.341
local terms energy: -69.178758
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -19.254
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -11.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -134.081993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.081993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.081993 (E_RNA)
where:
Base-Base interactions energy: -61.453
where: short stacking energy: -38.051
Base-Backbone interact. energy: -0.227
local terms energy: -72.401942
where:
bonds (distance) C4'-P energy: -19.436
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -135.780578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.780578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.780578 (E_RNA)
where:
Base-Base interactions energy: -67.706
where: short stacking energy: -51.563
Base-Backbone interact. energy: -0.341
local terms energy: -67.733657
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -10.666
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: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -105.491537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.491537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.491537 (E_RNA)
where:
Base-Base interactions energy: -52.183
where: short stacking energy: -39.400
Base-Backbone interact. energy: 0.199
local terms energy: -53.508000
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -5.070
tors. eta vs tors. theta energy: -4.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -100.443467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.443467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.443467 (E_RNA)
where:
Base-Base interactions energy: -41.454
where: short stacking energy: -31.112
Base-Backbone interact. energy: -0.230
local terms energy: -58.759603
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -19.551
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -4.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -290.582078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.582078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.582078 (E_RNA)
where:
Base-Base interactions energy: -186.728
where: short stacking energy: -79.750
Base-Backbone interact. energy: -1.457
local terms energy: -102.397100
where:
bonds (distance) C4'-P energy: -20.725
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -23.058
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -22.262
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: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -285.680683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.680683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.680683 (E_RNA)
where:
Base-Base interactions energy: -186.985
where: short stacking energy: -77.865
Base-Backbone interact. energy: -0.118
local terms energy: -98.578067
where:
bonds (distance) C4'-P energy: -21.291
bonds (distance) P-C4' energy: -21.959
flat angles C4'-P-C4' energy: -20.388
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -20.688
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: 18
Temperature: 1.000000
Total energy: -270.756196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.756196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.756196 (E_RNA)
where:
Base-Base interactions energy: -175.059
where: short stacking energy: -88.058
Base-Backbone interact. energy: -0.027
local terms energy: -95.670336
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -18.227
flat angles C4'-P-C4' energy: -24.443
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -23.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -224.548574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.548574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.548574 (E_RNA)
where:
Base-Base interactions energy: -127.944
where: short stacking energy: -80.849
Base-Backbone interact. energy: -0.305
local terms energy: -96.300189
where:
bonds (distance) C4'-P energy: -21.385
bonds (distance) P-C4' energy: -22.969
flat angles C4'-P-C4' energy: -20.564
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -20.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -196.355020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.355020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.355020 (E_RNA)
where:
Base-Base interactions energy: -109.133
where: short stacking energy: -61.185
Base-Backbone interact. energy: -1.039
local terms energy: -86.182131
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -20.346
flat angles C4'-P-C4' energy: -20.681
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -16.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -132.436302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.436302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.436302 (E_RNA)
where:
Base-Base interactions energy: -50.787
where: short stacking energy: -50.787
Base-Backbone interact. energy: -0.206
local terms energy: -81.443932
where:
bonds (distance) C4'-P energy: -20.091
bonds (distance) P-C4' energy: -20.052
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -12.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -122.493508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.493508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.493508 (E_RNA)
where:
Base-Base interactions energy: -56.321
where: short stacking energy: -45.601
Base-Backbone interact. energy: -0.078
local terms energy: -66.094280
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -7.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -118.176222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.176222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.176222 (E_RNA)
where:
Base-Base interactions energy: -54.219
where: short stacking energy: -46.515
Base-Backbone interact. energy: 2.339
local terms energy: -66.296218
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -20.663
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -5.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -113.658862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.658862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.658862 (E_RNA)
where:
Base-Base interactions energy: -55.698
where: short stacking energy: -38.902
Base-Backbone interact. energy: 1.154
local terms energy: -59.115088
where:
bonds (distance) C4'-P energy: -17.698
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -3.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -96.754738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.754738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.754738 (E_RNA)
where:
Base-Base interactions energy: -39.284
where: short stacking energy: -39.284
Base-Backbone interact. energy: -0.161
local terms energy: -57.309696
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -2.982
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: 7
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -282.240823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.240823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.240823 (E_RNA)
where:
Base-Base interactions energy: -187.508
where: short stacking energy: -90.110
Base-Backbone interact. energy: 0.701
local terms energy: -95.433883
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -20.684
flat angles C4'-P-C4' energy: -22.444
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -21.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -303.871901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.871901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.871901 (E_RNA)
where:
Base-Base interactions energy: -209.076
where: short stacking energy: -76.280
Base-Backbone interact. energy: -0.572
local terms energy: -94.223931
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -21.873
flat angles C4'-P-C4' energy: -21.006
flat angles P-C4'-P energy: -15.952
tors. eta vs tors. theta energy: -19.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -268.409038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.409038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.409038 (E_RNA)
where:
Base-Base interactions energy: -178.290
where: short stacking energy: -76.844
Base-Backbone interact. energy: -0.197
local terms energy: -89.922164
where:
bonds (distance) C4'-P energy: -18.676
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -20.208
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -17.689
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: 19
Temperature: 1.050000
Total energy: -219.938650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.938650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.938650 (E_RNA)
where:
Base-Base interactions energy: -142.315
where: short stacking energy: -85.642
Base-Backbone interact. energy: 0.240
local terms energy: -77.864027
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -20.866
flat angles P-C4'-P energy: -4.944
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: 8
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -188.271870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.271870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.271870 (E_RNA)
where:
Base-Base interactions energy: -106.109
where: short stacking energy: -61.876
Base-Backbone interact. energy: -0.012
local terms energy: -82.150592
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -13.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -137.242673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.242673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.242673 (E_RNA)
where:
Base-Base interactions energy: -63.223
where: short stacking energy: -48.017
Base-Backbone interact. energy: -0.099
local terms energy: -73.920854
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -22.432
flat angles C4'-P-C4' energy: -21.123
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -117.831459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.831459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.831459 (E_RNA)
where:
Base-Base interactions energy: -51.096
where: short stacking energy: -37.364
Base-Backbone interact. energy: -0.248
local terms energy: -66.488126
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -5.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -157.014807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.014807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.014807 (E_RNA)
where:
Base-Base interactions energy: -95.651
where: short stacking energy: -57.943
Base-Backbone interact. energy: -0.154
local terms energy: -61.209806
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -9.582
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -9.061
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: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -98.285566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.285566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.285566 (E_RNA)
where:
Base-Base interactions energy: -36.419
where: short stacking energy: -24.894
Base-Backbone interact. energy: -1.148
local terms energy: -60.718482
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: 2.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -101.495336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.495336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.495336 (E_RNA)
where:
Base-Base interactions energy: -31.722
where: short stacking energy: -32.472
Base-Backbone interact. energy: -0.126
local terms energy: -69.646593
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -308.688398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.688398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.688398 (E_RNA)
where:
Base-Base interactions energy: -208.511
where: short stacking energy: -75.236
Base-Backbone interact. energy: -0.609
local terms energy: -99.568864
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -21.502
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: 2, replica: 7
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -262.413491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.413491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.413491 (E_RNA)
where:
Base-Base interactions energy: -176.485
where: short stacking energy: -77.053
Base-Backbone interact. energy: -0.645
local terms energy: -85.283750
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -22.359
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -16.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -267.188594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.188594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.188594 (E_RNA)
where:
Base-Base interactions energy: -175.191
where: short stacking energy: -75.473
Base-Backbone interact. energy: -0.135
local terms energy: -91.862568
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -23.606
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -17.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -216.807186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.807186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.807186 (E_RNA)
where:
Base-Base interactions energy: -122.781
where: short stacking energy: -75.831
Base-Backbone interact. energy: -0.522
local terms energy: -93.503981
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -23.153
flat angles P-C4'-P energy: -15.075
tors. eta vs tors. theta energy: -19.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -183.140711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.140711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.140711 (E_RNA)
where:
Base-Base interactions energy: -99.650
where: short stacking energy: -63.834
Base-Backbone interact. energy: -0.125
local terms energy: -83.366125
where:
bonds (distance) C4'-P energy: -21.020
bonds (distance) P-C4' energy: -16.680
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -17.869
tors. eta vs tors. theta energy: -11.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -148.128843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.128843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.128843 (E_RNA)
where:
Base-Base interactions energy: -79.714
where: short stacking energy: -37.015
Base-Backbone interact. energy: -0.266
local terms energy: -68.149448
where:
bonds (distance) C4'-P energy: -22.654
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -2.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -141.878760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.878760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.878760 (E_RNA)
where:
Base-Base interactions energy: -68.259
where: short stacking energy: -42.399
Base-Backbone interact. energy: -0.165
local terms energy: -73.454286
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -8.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -120.081982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.081982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.081982 (E_RNA)
where:
Base-Base interactions energy: -51.315
where: short stacking energy: -34.605
Base-Backbone interact. energy: -0.268
local terms energy: -68.498904
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -7.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -102.760195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.760195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.760195 (E_RNA)
where:
Base-Base interactions energy: -39.286
where: short stacking energy: -36.902
Base-Backbone interact. energy: -0.087
local terms energy: -63.387381
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -4.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -94.000258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.000258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.000258 (E_RNA)
where:
Base-Base interactions energy: -37.292
where: short stacking energy: -35.812
Base-Backbone interact. energy: 0.561
local terms energy: -57.269732
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: 1.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -318.244836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.244836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.244836 (E_RNA)
where:
Base-Base interactions energy: -213.735
where: short stacking energy: -90.171
Base-Backbone interact. energy: -0.213
local terms energy: -104.297227
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -20.744
flat angles C4'-P-C4' energy: -19.861
flat angles P-C4'-P energy: -20.252
tors. eta vs tors. theta energy: -26.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -286.232405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.232405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.232405 (E_RNA)
where:
Base-Base interactions energy: -200.664
where: short stacking energy: -76.360
Base-Backbone interact. energy: -0.000
local terms energy: -85.568380
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -20.381
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: 7
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -257.082540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.082540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.082540 (E_RNA)
where:
Base-Base interactions energy: -170.596
where: short stacking energy: -80.098
Base-Backbone interact. energy: -1.442
local terms energy: -85.045055
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: -17.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -229.054071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.054071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.054071 (E_RNA)
where:
Base-Base interactions energy: -132.719
where: short stacking energy: -92.176
Base-Backbone interact. energy: -0.067
local terms energy: -96.268718
where:
bonds (distance) C4'-P energy: -21.187
bonds (distance) P-C4' energy: -20.645
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -24.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -173.378416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.378416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.378416 (E_RNA)
where:
Base-Base interactions energy: -91.501
where: short stacking energy: -61.462
Base-Backbone interact. energy: -0.066
local terms energy: -81.812038
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -23.522
flat angles C4'-P-C4' energy: -21.317
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -10.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -120.245358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.245358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.245358 (E_RNA)
where:
Base-Base interactions energy: -48.391
where: short stacking energy: -48.391
Base-Backbone interact. energy: 0.287
local terms energy: -72.141763
where:
bonds (distance) C4'-P energy: -18.882
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -20.720
flat angles P-C4'-P energy: -7.960
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: 7, replica: 9
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -154.569011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.569011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.569011 (E_RNA)
where:
Base-Base interactions energy: -79.179
where: short stacking energy: -44.555
Base-Backbone interact. energy: -0.026
local terms energy: -75.364637
where:
bonds (distance) C4'-P energy: -19.859
bonds (distance) P-C4' energy: -21.018
flat angles C4'-P-C4' energy: -19.073
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: -8.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -118.501218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.501218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.501218 (E_RNA)
where:
Base-Base interactions energy: -54.425
where: short stacking energy: -32.748
Base-Backbone interact. energy: -0.498
local terms energy: -63.578571
where:
bonds (distance) C4'-P energy: -19.549
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -2.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -115.468229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.468229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.468229 (E_RNA)
where:
Base-Base interactions energy: -43.483
where: short stacking energy: -43.483
Base-Backbone interact. energy: -0.137
local terms energy: -71.847758
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -8.823
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: 10
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -106.649866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.649866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.649866 (E_RNA)
where:
Base-Base interactions energy: -46.458
where: short stacking energy: -37.132
Base-Backbone interact. energy: -0.181
local terms energy: -60.011002
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -14.244
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: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -323.415229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.415229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.415229 (E_RNA)
where:
Base-Base interactions energy: -228.115
where: short stacking energy: -89.174
Base-Backbone interact. energy: 0.073
local terms energy: -95.373419
where:
bonds (distance) C4'-P energy: -21.611
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -15.391
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: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -273.849713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.849713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.849713 (E_RNA)
where:
Base-Base interactions energy: -174.215
where: short stacking energy: -70.990
Base-Backbone interact. energy: -0.884
local terms energy: -98.750588
where:
bonds (distance) C4'-P energy: -23.589
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -21.151
flat angles P-C4'-P energy: -16.009
tors. eta vs tors. theta energy: -20.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -220.700988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.700988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.700988 (E_RNA)
where:
Base-Base interactions energy: -126.627
where: short stacking energy: -76.195
Base-Backbone interact. energy: -0.531
local terms energy: -93.543184
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -22.442
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -21.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -257.738514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.738514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.738514 (E_RNA)
where:
Base-Base interactions energy: -168.593
where: short stacking energy: -80.874
Base-Backbone interact. energy: -0.210
local terms energy: -88.935456
where:
bonds (distance) C4'-P energy: -10.221
bonds (distance) P-C4' energy: -20.274
flat angles C4'-P-C4' energy: -24.064
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -20.995
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: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -167.268132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.268132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.268132 (E_RNA)
where:
Base-Base interactions energy: -89.647
where: short stacking energy: -59.624
Base-Backbone interact. energy: -1.211
local terms energy: -76.410540
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -12.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -128.114464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.114464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.114464 (E_RNA)
where:
Base-Base interactions energy: -49.940
where: short stacking energy: -37.743
Base-Backbone interact. energy: -0.100
local terms energy: -78.075439
where:
bonds (distance) C4'-P energy: -20.133
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -2.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -182.045623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.045623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.045623 (E_RNA)
where:
Base-Base interactions energy: -99.373
where: short stacking energy: -68.467
Base-Backbone interact. energy: -0.061
local terms energy: -82.611413
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -20.224
flat angles C4'-P-C4' energy: -18.506
flat angles P-C4'-P energy: -8.243
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: 8, replica: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -150.424124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.424124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.424124 (E_RNA)
where:
Base-Base interactions energy: -78.826
where: short stacking energy: -47.607
Base-Backbone interact. energy: 2.742
local terms energy: -74.340260
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -9.117
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: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -108.805490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.805490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.805490 (E_RNA)
where:
Base-Base interactions energy: -47.590
where: short stacking energy: -44.027
Base-Backbone interact. energy: -0.104
local terms energy: -61.111986
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -21.241
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -1.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -101.930174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.930174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.930174 (E_RNA)
where:
Base-Base interactions energy: -34.552
where: short stacking energy: -34.552
Base-Backbone interact. energy: -0.011
local terms energy: -67.366831
where:
bonds (distance) C4'-P energy: -18.493
bonds (distance) P-C4' energy: -22.066
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -4.120
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: 1, replica: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -304.735558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.735558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.735558 (E_RNA)
where:
Base-Base interactions energy: -209.979
where: short stacking energy: -80.514
Base-Backbone interact. energy: -0.668
local terms energy: -94.087776
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -25.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -287.993217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.993217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.993217 (E_RNA)
where:
Base-Base interactions energy: -193.160
where: short stacking energy: -83.199
Base-Backbone interact. energy: 0.501
local terms energy: -95.335136
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -26.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -219.390079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.390079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.390079 (E_RNA)
where:
Base-Base interactions energy: -129.260
where: short stacking energy: -63.144
Base-Backbone interact. energy: 0.521
local terms energy: -90.651083
where:
bonds (distance) C4'-P energy: -20.353
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -16.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -227.539623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.539623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.539623 (E_RNA)
where:
Base-Base interactions energy: -144.999
where: short stacking energy: -64.481
Base-Backbone interact. energy: -0.080
local terms energy: -82.460580
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -17.588
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: 8
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -175.989720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.989720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.989720 (E_RNA)
where:
Base-Base interactions energy: -98.637
where: short stacking energy: -54.982
Base-Backbone interact. energy: -0.614
local terms energy: -76.739379
where:
bonds (distance) C4'-P energy: -20.982
bonds (distance) P-C4' energy: -17.028
flat angles C4'-P-C4' energy: -19.268
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -10.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -168.262643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.262643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.262643 (E_RNA)
where:
Base-Base interactions energy: -90.298
where: short stacking energy: -52.542
Base-Backbone interact. energy: -0.046
local terms energy: -77.919061
where:
bonds (distance) C4'-P energy: -18.003
bonds (distance) P-C4' energy: -21.649
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -12.050
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: 5
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -113.130353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.130353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.130353 (E_RNA)
where:
Base-Base interactions energy: -43.979
where: short stacking energy: -34.091
Base-Backbone interact. energy: -0.166
local terms energy: -68.985447
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: 1.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -109.652487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.652487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.652487 (E_RNA)
where:
Base-Base interactions energy: -42.648
where: short stacking energy: -27.170
Base-Backbone interact. energy: -0.188
local terms energy: -66.816155
where:
bonds (distance) C4'-P energy: -19.897
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -19.592
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -0.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -110.257412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.257412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.257412 (E_RNA)
where:
Base-Base interactions energy: -36.255
where: short stacking energy: -30.118
Base-Backbone interact. energy: -0.215
local terms energy: -73.786882
where:
bonds (distance) C4'-P energy: -18.938
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -23.703
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -2.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -97.362192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.362192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.362192 (E_RNA)
where:
Base-Base interactions energy: -30.295
where: short stacking energy: -27.798
Base-Backbone interact. energy: -0.206
local terms energy: -66.861242
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -10.972
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: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -312.053448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.053448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.053448 (E_RNA)
where:
Base-Base interactions energy: -215.633
where: short stacking energy: -83.745
Base-Backbone interact. energy: -0.549
local terms energy: -95.871114
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -24.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -269.495292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.495292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.495292 (E_RNA)
where:
Base-Base interactions energy: -185.221
where: short stacking energy: -79.855
Base-Backbone interact. energy: -0.590
local terms energy: -83.684761
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -21.324
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: 7
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -232.930065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.930065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.930065 (E_RNA)
where:
Base-Base interactions energy: -137.333
where: short stacking energy: -71.482
Base-Backbone interact. energy: -0.948
local terms energy: -94.648377
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -21.809
flat angles C4'-P-C4' energy: -23.135
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -14.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -215.997297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.997297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.997297 (E_RNA)
where:
Base-Base interactions energy: -137.840
where: short stacking energy: -61.269
Base-Backbone interact. energy: 0.740
local terms energy: -78.897658
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -20.311
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -12.310
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: 9
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -180.675469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.675469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.675469 (E_RNA)
where:
Base-Base interactions energy: -106.858
where: short stacking energy: -63.927
Base-Backbone interact. energy: -0.512
local terms energy: -73.305441
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -8.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -173.769343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.769343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.769343 (E_RNA)
where:
Base-Base interactions energy: -104.343
where: short stacking energy: -59.138
Base-Backbone interact. energy: -0.119
local terms energy: -69.307028
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -11.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -113.562191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.562191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.562191 (E_RNA)
where:
Base-Base interactions energy: -51.896
where: short stacking energy: -45.104
Base-Backbone interact. energy: -0.156
local terms energy: -61.509672
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -6.256
tors. eta vs tors. theta energy: -7.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -113.024570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.024570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.024570 (E_RNA)
where:
Base-Base interactions energy: -47.058
where: short stacking energy: -28.286
Base-Backbone interact. energy: -1.111
local terms energy: -64.856352
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -112.234700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.234700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.234700 (E_RNA)
where:
Base-Base interactions energy: -39.973
where: short stacking energy: -38.977
Base-Backbone interact. energy: -0.270
local terms energy: -71.990939
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -19.642
flat angles C4'-P-C4' energy: -20.490
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -5.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -113.515089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.515089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.515089 (E_RNA)
where:
Base-Base interactions energy: -45.080
where: short stacking energy: -34.896
Base-Backbone interact. energy: 7.799
local terms energy: -76.234171
where:
bonds (distance) C4'-P energy: -20.478
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -4.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -310.671803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.671803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.671803 (E_RNA)
where:
Base-Base interactions energy: -217.577
where: short stacking energy: -82.189
Base-Backbone interact. energy: -0.686
local terms energy: -92.409237
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -22.786
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -24.689
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: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -274.126380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.126380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.126380 (E_RNA)
where:
Base-Base interactions energy: -186.067
where: short stacking energy: -85.479
Base-Backbone interact. energy: -1.363
local terms energy: -86.696350
where:
bonds (distance) C4'-P energy: -20.824
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -21.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -235.858717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.858717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.858717 (E_RNA)
where:
Base-Base interactions energy: -150.998
where: short stacking energy: -84.262
Base-Backbone interact. energy: 0.975
local terms energy: -85.835587
where:
bonds (distance) C4'-P energy: -22.663
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -18.279
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -21.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -186.283905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.283905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.283905 (E_RNA)
where:
Base-Base interactions energy: -106.647
where: short stacking energy: -59.862
Base-Backbone interact. energy: -0.390
local terms energy: -79.246818
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -20.851
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -16.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -245.647644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.647644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.647644 (E_RNA)
where:
Base-Base interactions energy: -157.383
where: short stacking energy: -71.673
Base-Backbone interact. energy: -0.401
local terms energy: -87.864126
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -15.473
tors. eta vs tors. theta energy: -23.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -184.641836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.641836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.641836 (E_RNA)
where:
Base-Base interactions energy: -114.310
where: short stacking energy: -58.051
Base-Backbone interact. energy: -0.301
local terms energy: -70.030792
where:
bonds (distance) C4'-P energy: -18.882
bonds (distance) P-C4' energy: -9.050
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -17.115
tors. eta vs tors. theta energy: -7.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -123.413195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.413195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.413195 (E_RNA)
where:
Base-Base interactions energy: -47.889
where: short stacking energy: -44.003
Base-Backbone interact. energy: -0.013
local terms energy: -75.511117
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -14.434
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: 4
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -113.203090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.203090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.203090 (E_RNA)
where:
Base-Base interactions energy: -45.033
where: short stacking energy: -45.033
Base-Backbone interact. energy: -0.259
local terms energy: -67.910901
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -95.779048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.779048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.779048 (E_RNA)
where:
Base-Base interactions energy: -33.301
where: short stacking energy: -21.541
Base-Backbone interact. energy: 0.892
local terms energy: -63.369182
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -20.727
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -107.222276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.222276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.222276 (E_RNA)
where:
Base-Base interactions energy: -52.710
where: short stacking energy: -35.027
Base-Backbone interact. energy: 0.226
local terms energy: -54.738351
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: 7.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -315.732728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.732728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.732728 (E_RNA)
where:
Base-Base interactions energy: -212.803
where: short stacking energy: -85.919
Base-Backbone interact. energy: -0.807
local terms energy: -102.123110
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -23.125
flat angles C4'-P-C4' energy: -22.693
flat angles P-C4'-P energy: -15.056
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: 2, replica: 1
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -279.952582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.952582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.952582 (E_RNA)
where:
Base-Base interactions energy: -183.671
where: short stacking energy: -76.430
Base-Backbone interact. energy: -0.543
local terms energy: -95.738182
where:
bonds (distance) C4'-P energy: -21.475
bonds (distance) P-C4' energy: -20.561
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -21.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -251.199272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.199272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.199272 (E_RNA)
where:
Base-Base interactions energy: -152.751
where: short stacking energy: -82.282
Base-Backbone interact. energy: -0.049
local terms energy: -98.398817
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -16.301
tors. eta vs tors. theta energy: -23.087
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: 4, replica: 9
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -188.888863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.888863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.888863 (E_RNA)
where:
Base-Base interactions energy: -108.350
where: short stacking energy: -63.108
Base-Backbone interact. energy: 1.798
local terms energy: -82.337153
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -21.557
flat angles C4'-P-C4' energy: -19.810
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -9.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -249.176036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.176036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.176036 (E_RNA)
where:
Base-Base interactions energy: -158.007
where: short stacking energy: -81.392
Base-Backbone interact. energy: 0.332
local terms energy: -91.501256
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -20.740
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -22.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -175.459101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.459101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.459101 (E_RNA)
where:
Base-Base interactions energy: -102.622
where: short stacking energy: -44.224
Base-Backbone interact. energy: 0.649
local terms energy: -73.485304
where:
bonds (distance) C4'-P energy: -19.802
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -7.864
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -8.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -120.296785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.296785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.296785 (E_RNA)
where:
Base-Base interactions energy: -48.442
where: short stacking energy: -46.601
Base-Backbone interact. energy: -0.352
local terms energy: -71.502887
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -20.409
flat angles C4'-P-C4' energy: -19.064
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -1.992
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: 5
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -107.613393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.613393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.613393 (E_RNA)
where:
Base-Base interactions energy: -40.790
where: short stacking energy: -36.981
Base-Backbone interact. energy: -0.506
local terms energy: -66.316990
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -5.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -119.193603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.193603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.193603 (E_RNA)
where:
Base-Base interactions energy: -46.142
where: short stacking energy: -29.528
Base-Backbone interact. energy: -0.823
local terms energy: -72.228593
where:
bonds (distance) C4'-P energy: -19.728
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -5.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -106.092163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.092163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.092163 (E_RNA)
where:
Base-Base interactions energy: -46.932
where: short stacking energy: -39.254
Base-Backbone interact. energy: -0.489
local terms energy: -58.670826
where:
bonds (distance) C4'-P energy: -22.737
bonds (distance) P-C4' energy: -9.950
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -3.506
tors. eta vs tors. theta energy: -7.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -317.094708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.094708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.094708 (E_RNA)
where:
Base-Base interactions energy: -217.897
where: short stacking energy: -81.229
Base-Backbone interact. energy: 0.026
local terms energy: -99.223034
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -23.436
flat angles C4'-P-C4' energy: -23.445
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -24.471
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: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -283.130959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.130959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.130959 (E_RNA)
where:
Base-Base interactions energy: -189.952
where: short stacking energy: -89.652
Base-Backbone interact. energy: -0.537
local terms energy: -92.642819
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -18.874
flat angles C4'-P-C4' energy: -23.395
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -20.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -258.068793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.068793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.068793 (E_RNA)
where:
Base-Base interactions energy: -167.669
where: short stacking energy: -81.113
Base-Backbone interact. energy: -0.079
local terms energy: -90.321302
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -22.141
flat angles P-C4'-P energy: -14.995
tors. eta vs tors. theta energy: -21.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -254.960287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.960287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.960287 (E_RNA)
where:
Base-Base interactions energy: -164.415
where: short stacking energy: -78.847
Base-Backbone interact. energy: -0.724
local terms energy: -89.822083
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -21.166
flat angles C4'-P-C4' energy: -21.262
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -19.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -217.485457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.485457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.485457 (E_RNA)
where:
Base-Base interactions energy: -133.391
where: short stacking energy: -57.837
Base-Backbone interact. energy: -0.390
local terms energy: -83.705001
where:
bonds (distance) C4'-P energy: -18.066
bonds (distance) P-C4' energy: -21.303
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -10.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -166.190198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.190198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.190198 (E_RNA)
where:
Base-Base interactions energy: -94.551
where: short stacking energy: -60.433
Base-Backbone interact. energy: 1.967
local terms energy: -73.605392
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -8.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -119.012823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.012823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.012823 (E_RNA)
where:
Base-Base interactions energy: -55.010
where: short stacking energy: -46.384
Base-Backbone interact. energy: -0.814
local terms energy: -63.189137
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -19.351
flat angles P-C4'-P energy: -4.116
tors. eta vs tors. theta energy: -2.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -106.403061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.403061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.403061 (E_RNA)
where:
Base-Base interactions energy: -47.881
where: short stacking energy: -47.881
Base-Backbone interact. energy: -1.219
local terms energy: -57.302794
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -22.210
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -3.024
tors. eta vs tors. theta energy: -4.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -113.098711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.098711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.098711 (E_RNA)
where:
Base-Base interactions energy: -37.074
where: short stacking energy: -31.875
Base-Backbone interact. energy: -0.460
local terms energy: -75.565245
where:
bonds (distance) C4'-P energy: -21.504
bonds (distance) P-C4' energy: -19.934
flat angles C4'-P-C4' energy: -20.384
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -3.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -96.149630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.149630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.149630 (E_RNA)
where:
Base-Base interactions energy: -31.004
where: short stacking energy: -26.808
Base-Backbone interact. energy: -0.060
local terms energy: -65.085428
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -18.960
flat angles C4'-P-C4' energy: -20.096
flat angles P-C4'-P energy: -7.204
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: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -319.696279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.696279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.696279 (E_RNA)
where:
Base-Base interactions energy: -211.941
where: short stacking energy: -82.517
Base-Backbone interact. energy: -0.476
local terms energy: -107.278723
where:
bonds (distance) C4'-P energy: -21.470
bonds (distance) P-C4' energy: -22.763
flat angles C4'-P-C4' energy: -22.087
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -26.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -303.962966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.962966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.962966 (E_RNA)
where:
Base-Base interactions energy: -204.978
where: short stacking energy: -83.162
Base-Backbone interact. energy: 0.106
local terms energy: -99.090721
where:
bonds (distance) C4'-P energy: -21.876
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -20.661
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -22.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -264.876143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.876143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.876143 (E_RNA)
where:
Base-Base interactions energy: -174.052
where: short stacking energy: -75.996
Base-Backbone interact. energy: -0.108
local terms energy: -90.716068
where:
bonds (distance) C4'-P energy: -21.862
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -22.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -264.683914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.683914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.683914 (E_RNA)
where:
Base-Base interactions energy: -182.166
where: short stacking energy: -81.679
Base-Backbone interact. energy: -0.297
local terms energy: -82.220413
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -22.087
flat angles P-C4'-P energy: -11.053
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: 5, replica: 9
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -239.967033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.967033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.967033 (E_RNA)
where:
Base-Base interactions energy: -155.713
where: short stacking energy: -69.110
Base-Backbone interact. energy: -0.057
local terms energy: -84.197299
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -19.623
flat angles C4'-P-C4' energy: -22.948
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -13.852
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: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -179.502405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.502405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.502405 (E_RNA)
where:
Base-Base interactions energy: -99.252
where: short stacking energy: -58.928
Base-Backbone interact. energy: -0.379
local terms energy: -79.871121
where:
bonds (distance) C4'-P energy: -19.416
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -20.996
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -10.162
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: 5
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -107.713407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.713407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.713407 (E_RNA)
where:
Base-Base interactions energy: -38.128
where: short stacking energy: -37.677
Base-Backbone interact. energy: -0.917
local terms energy: -68.668111
where:
bonds (distance) C4'-P energy: -19.748
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -3.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -105.423546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.423546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.423546 (E_RNA)
where:
Base-Base interactions energy: -43.720
where: short stacking energy: -43.720
Base-Backbone interact. energy: -0.433
local terms energy: -61.270279
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -10.326
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: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -102.891140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.891140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.891140 (E_RNA)
where:
Base-Base interactions energy: -33.241
where: short stacking energy: -29.908
Base-Backbone interact. energy: -0.201
local terms energy: -69.449193
where:
bonds (distance) C4'-P energy: -18.038
bonds (distance) P-C4' energy: -21.562
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -13.640
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: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -109.374589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.374589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.374589 (E_RNA)
where:
Base-Base interactions energy: -51.463
where: short stacking energy: -29.648
Base-Backbone interact. energy: 0.750
local terms energy: -58.661212
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -11.672
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: 1, replica: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -309.913574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.913574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.913574 (E_RNA)
where:
Base-Base interactions energy: -205.213
where: short stacking energy: -85.531
Base-Backbone interact. energy: -0.535
local terms energy: -104.165068
where:
bonds (distance) C4'-P energy: -20.787
bonds (distance) P-C4' energy: -21.888
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -17.608
tors. eta vs tors. theta energy: -24.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -299.608038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.608038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.608038 (E_RNA)
where:
Base-Base interactions energy: -211.976
where: short stacking energy: -84.812
Base-Backbone interact. energy: 0.087
local terms energy: -87.719125
where:
bonds (distance) C4'-P energy: -19.478
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -21.470
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -20.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -264.488468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.488468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.488468 (E_RNA)
where:
Base-Base interactions energy: -171.366
where: short stacking energy: -79.869
Base-Backbone interact. energy: 0.033
local terms energy: -93.155679
where:
bonds (distance) C4'-P energy: -21.342
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -18.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -263.197216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.197216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.197216 (E_RNA)
where:
Base-Base interactions energy: -168.647
where: short stacking energy: -71.221
Base-Backbone interact. energy: -0.201
local terms energy: -94.348548
where:
bonds (distance) C4'-P energy: -20.630
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -22.724
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -19.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -240.141447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.141447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.141447 (E_RNA)
where:
Base-Base interactions energy: -149.942
where: short stacking energy: -70.962
Base-Backbone interact. energy: -1.488
local terms energy: -88.711110
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -19.104
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -20.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -193.723146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.723146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.723146 (E_RNA)
where:
Base-Base interactions energy: -119.736
where: short stacking energy: -62.577
Base-Backbone interact. energy: -0.580
local terms energy: -73.407077
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -15.478
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -12.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -147.890973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.890973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.890973 (E_RNA)
where:
Base-Base interactions energy: -73.050
where: short stacking energy: -59.514
Base-Backbone interact. energy: -0.061
local terms energy: -74.779163
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -19.508
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -13.075
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: 4
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -134.133905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.133905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.133905 (E_RNA)
where:
Base-Base interactions energy: -64.949
where: short stacking energy: -58.444
Base-Backbone interact. energy: 0.089
local terms energy: -69.273814
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -7.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -132.134936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.134936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.134936 (E_RNA)
where:
Base-Base interactions energy: -63.152
where: short stacking energy: -37.348
Base-Backbone interact. energy: -0.195
local terms energy: -68.787864
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -5.690
tors. eta vs tors. theta energy: -5.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -105.919366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.919366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.919366 (E_RNA)
where:
Base-Base interactions energy: -36.954
where: short stacking energy: -26.248
Base-Backbone interact. energy: -0.275
local terms energy: -68.690464
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -20.100
flat angles C4'-P-C4' energy: -19.998
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -319.535297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.535297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.535297 (E_RNA)
where:
Base-Base interactions energy: -225.091
where: short stacking energy: -81.302
Base-Backbone interact. energy: -0.410
local terms energy: -94.034315
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -22.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -284.863684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.863684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.863684 (E_RNA)
where:
Base-Base interactions energy: -187.607
where: short stacking energy: -81.248
Base-Backbone interact. energy: -0.785
local terms energy: -96.471032
where:
bonds (distance) C4'-P energy: -22.062
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -21.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -278.745231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.745231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.745231 (E_RNA)
where:
Base-Base interactions energy: -182.724
where: short stacking energy: -86.342
Base-Backbone interact. energy: -0.492
local terms energy: -95.529251
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -23.561
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: -24.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -277.051758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.051758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.051758 (E_RNA)
where:
Base-Base interactions energy: -186.731
where: short stacking energy: -77.623
Base-Backbone interact. energy: -0.076
local terms energy: -90.244894
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -22.460
flat angles C4'-P-C4' energy: -20.914
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -17.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -250.201863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.201863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.201863 (E_RNA)
where:
Base-Base interactions energy: -163.034
where: short stacking energy: -67.308
Base-Backbone interact. energy: -0.076
local terms energy: -87.091268
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -23.299
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -15.577
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: 8
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -170.121290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.121290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.121290 (E_RNA)
where:
Base-Base interactions energy: -102.424
where: short stacking energy: -55.010
Base-Backbone interact. energy: 0.199
local terms energy: -67.895704
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -9.215
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: 7, replica: 4
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -107.448387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.448387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.448387 (E_RNA)
where:
Base-Base interactions energy: -40.957
where: short stacking energy: -40.334
Base-Backbone interact. energy: -0.199
local terms energy: -66.292483
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -3.246
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: 5
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -105.074674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.074674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.074674 (E_RNA)
where:
Base-Base interactions energy: -47.681
where: short stacking energy: -45.796
Base-Backbone interact. energy: 0.335
local terms energy: -57.728454
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -0.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -128.586477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.586477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.586477 (E_RNA)
where:
Base-Base interactions energy: -62.850
where: short stacking energy: -34.200
Base-Backbone interact. energy: 0.357
local terms energy: -66.093072
where:
bonds (distance) C4'-P energy: -20.170
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -5.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -105.023909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.023909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.023909 (E_RNA)
where:
Base-Base interactions energy: -41.365
where: short stacking energy: -40.785
Base-Backbone interact. energy: -0.298
local terms energy: -63.360558
where:
bonds (distance) C4'-P energy: -17.400
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -9.812
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -7.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -310.678611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.678611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.678611 (E_RNA)
where:
Base-Base interactions energy: -209.752
where: short stacking energy: -85.732
Base-Backbone interact. energy: -0.512
local terms energy: -100.414833
where:
bonds (distance) C4'-P energy: -21.437
bonds (distance) P-C4' energy: -18.934
flat angles C4'-P-C4' energy: -21.721
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -26.496
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: 31
Temperature: 0.950000
Total energy: -289.646124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.646124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.646124 (E_RNA)
where:
Base-Base interactions energy: -190.842
where: short stacking energy: -91.287
Base-Backbone interact. energy: -0.351
local terms energy: -98.453678
where:
bonds (distance) C4'-P energy: -20.808
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -25.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -268.755162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.755162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.755162 (E_RNA)
where:
Base-Base interactions energy: -183.750
where: short stacking energy: -75.099
Base-Backbone interact. energy: -0.575
local terms energy: -84.429977
where:
bonds (distance) C4'-P energy: -19.637
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -18.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -274.656652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.656652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.656652 (E_RNA)
where:
Base-Base interactions energy: -177.525
where: short stacking energy: -78.907
Base-Backbone interact. energy: -0.168
local terms energy: -96.963243
where:
bonds (distance) C4'-P energy: -20.388
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -16.406
tors. eta vs tors. theta energy: -23.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -278.651190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.651190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.651190 (E_RNA)
where:
Base-Base interactions energy: -182.925
where: short stacking energy: -72.972
Base-Backbone interact. energy: -0.254
local terms energy: -95.472429
where:
bonds (distance) C4'-P energy: -22.368
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -17.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -128.503996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.503996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.503996 (E_RNA)
where:
Base-Base interactions energy: -64.520
where: short stacking energy: -42.111
Base-Backbone interact. energy: 1.262
local terms energy: -65.246510
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -20.828
flat angles P-C4'-P energy: -4.374
tors. eta vs tors. theta energy: -1.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -176.151004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.151004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.151004 (E_RNA)
where:
Base-Base interactions energy: -101.284
where: short stacking energy: -55.018
Base-Backbone interact. energy: 3.344
local terms energy: -78.210538
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -18.409
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -16.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -131.200735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.200735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.200735 (E_RNA)
where:
Base-Base interactions energy: -71.173
where: short stacking energy: -21.431
Base-Backbone interact. energy: -0.117
local terms energy: -59.911560
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: 4.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -112.147229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.147229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.147229 (E_RNA)
where:
Base-Base interactions energy: -50.022
where: short stacking energy: -38.299
Base-Backbone interact. energy: -0.427
local terms energy: -61.698160
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -7.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -100.045885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.045885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.045885 (E_RNA)
where:
Base-Base interactions energy: -37.448
where: short stacking energy: -37.448
Base-Backbone interact. energy: -0.175
local terms energy: -62.423436
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -4.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -302.109899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.109899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.109899 (E_RNA)
where:
Base-Base interactions energy: -200.654
where: short stacking energy: -95.036
Base-Backbone interact. energy: -0.183
local terms energy: -101.273506
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -23.712
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -27.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -308.653147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.653147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.653147 (E_RNA)
where:
Base-Base interactions energy: -218.450
where: short stacking energy: -82.495
Base-Backbone interact. energy: -0.601
local terms energy: -89.601978
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -24.489
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: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -259.898085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.898085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.898085 (E_RNA)
where:
Base-Base interactions energy: -179.309
where: short stacking energy: -75.483
Base-Backbone interact. energy: 0.335
local terms energy: -80.923659
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -265.434037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.434037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.434037 (E_RNA)
where:
Base-Base interactions energy: -172.587
where: short stacking energy: -78.257
Base-Backbone interact. energy: -0.067
local terms energy: -92.780369
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -22.182
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -20.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -278.634337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.634337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.634337 (E_RNA)
where:
Base-Base interactions energy: -185.288
where: short stacking energy: -78.361
Base-Backbone interact. energy: -0.146
local terms energy: -93.200703
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -13.920
tors. eta vs tors. theta energy: -24.100
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: 8
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -157.108794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.108794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.108794 (E_RNA)
where:
Base-Base interactions energy: -91.264
where: short stacking energy: -48.324
Base-Backbone interact. energy: -0.084
local terms energy: -65.760956
where:
bonds (distance) C4'-P energy: -19.450
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -3.613
tors. eta vs tors. theta energy: -11.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -169.446641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.446641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.446641 (E_RNA)
where:
Base-Base interactions energy: -91.196
where: short stacking energy: -54.279
Base-Backbone interact. energy: -0.095
local terms energy: -78.155636
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -7.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -120.501414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.501414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.501414 (E_RNA)
where:
Base-Base interactions energy: -45.144
where: short stacking energy: -45.144
Base-Backbone interact. energy: -0.127
local terms energy: -75.230441
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -20.607
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -14.755
tors. eta vs tors. theta energy: -10.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -118.558209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.558209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.558209 (E_RNA)
where:
Base-Base interactions energy: -50.916
where: short stacking energy: -44.113
Base-Backbone interact. energy: 1.345
local terms energy: -68.987381
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -4.247
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: 32
Temperature: 1.350000
Total energy: -100.058423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.058423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.058423 (E_RNA)
where:
Base-Base interactions energy: -41.345
where: short stacking energy: -38.986
Base-Backbone interact. energy: 3.136
local terms energy: -61.849215
where:
bonds (distance) C4'-P energy: -19.922
bonds (distance) P-C4' energy: -9.989
flat angles C4'-P-C4' energy: -19.273
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -1.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -302.026022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.026022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.026022 (E_RNA)
where:
Base-Base interactions energy: -205.325
where: short stacking energy: -91.932
Base-Backbone interact. energy: -0.060
local terms energy: -96.641480
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -21.921
flat angles C4'-P-C4' energy: -24.920
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -24.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -285.866318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.866318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.866318 (E_RNA)
where:
Base-Base interactions energy: -190.353
where: short stacking energy: -88.281
Base-Backbone interact. energy: -0.225
local terms energy: -95.288476
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -22.889
flat angles C4'-P-C4' energy: -22.657
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -22.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -306.193934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.193934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.193934 (E_RNA)
where:
Base-Base interactions energy: -211.039
where: short stacking energy: -83.055
Base-Backbone interact. energy: -0.601
local terms energy: -94.553434
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -19.677
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -24.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -290.604521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.604521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.604521 (E_RNA)
where:
Base-Base interactions energy: -199.482
where: short stacking energy: -86.392
Base-Backbone interact. energy: 1.096
local terms energy: -92.218457
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -22.202
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -263.360734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.360734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.360734 (E_RNA)
where:
Base-Base interactions energy: -189.167
where: short stacking energy: -75.579
Base-Backbone interact. energy: -0.944
local terms energy: -73.249943
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -19.115
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -13.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -168.378410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.378410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.378410 (E_RNA)
where:
Base-Base interactions energy: -89.090
where: short stacking energy: -50.680
Base-Backbone interact. energy: -0.047
local terms energy: -79.241233
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -24.045
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -7.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -155.633140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.633140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.633140 (E_RNA)
where:
Base-Base interactions energy: -96.553
where: short stacking energy: -49.444
Base-Backbone interact. energy: -0.612
local terms energy: -58.467706
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -3.110
tors. eta vs tors. theta energy: -8.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -114.186912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.186912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.186912 (E_RNA)
where:
Base-Base interactions energy: -46.298
where: short stacking energy: -21.623
Base-Backbone interact. energy: -0.552
local terms energy: -67.337409
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -17.326
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -15.475
tors. eta vs tors. theta energy: 3.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -110.783258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.783258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.783258 (E_RNA)
where:
Base-Base interactions energy: -47.839
where: short stacking energy: -24.731
Base-Backbone interact. energy: 1.038
local terms energy: -63.982762
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: 0.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -97.133191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.133191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.133191 (E_RNA)
where:
Base-Base interactions energy: -35.404
where: short stacking energy: -33.938
Base-Backbone interact. energy: -0.280
local terms energy: -61.448886
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -2.547
tors. eta vs tors. theta energy: -3.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -304.368163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.368163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.368163 (E_RNA)
where:
Base-Base interactions energy: -205.146
where: short stacking energy: -91.240
Base-Backbone interact. energy: -0.097
local terms energy: -99.124960
where:
bonds (distance) C4'-P energy: -20.447
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -22.365
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -22.084
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: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -283.088031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.088031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.088031 (E_RNA)
where:
Base-Base interactions energy: -192.123
where: short stacking energy: -79.929
Base-Backbone interact. energy: -0.253
local terms energy: -90.711997
where:
bonds (distance) C4'-P energy: -21.855
bonds (distance) P-C4' energy: -21.298
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -17.750
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: 7
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -318.041891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.041891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.041891 (E_RNA)
where:
Base-Base interactions energy: -219.270
where: short stacking energy: -82.439
Base-Backbone interact. energy: -0.852
local terms energy: -97.919864
where:
bonds (distance) C4'-P energy: -18.298
bonds (distance) P-C4' energy: -21.394
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -15.716
tors. eta vs tors. theta energy: -24.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -299.034221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.034221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.034221 (E_RNA)
where:
Base-Base interactions energy: -199.212
where: short stacking energy: -80.972
Base-Backbone interact. energy: -0.346
local terms energy: -99.476571
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -21.260
flat angles C4'-P-C4' energy: -20.828
flat angles P-C4'-P energy: -15.398
tors. eta vs tors. theta energy: -23.449
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: 5, replica: 1
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -240.981582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.981582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.981582 (E_RNA)
where:
Base-Base interactions energy: -150.141
where: short stacking energy: -64.427
Base-Backbone interact. energy: -0.649
local terms energy: -90.191132
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -16.832
flat angles C4'-P-C4' energy: -20.565
flat angles P-C4'-P energy: -15.098
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: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -191.552215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.552215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.552215 (E_RNA)
where:
Base-Base interactions energy: -126.332
where: short stacking energy: -55.958
Base-Backbone interact. energy: -0.467
local terms energy: -64.753342
where:
bonds (distance) C4'-P energy: -18.150
bonds (distance) P-C4' energy: -19.888
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -1.674
tors. eta vs tors. theta energy: -6.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -138.190606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.190606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.190606 (E_RNA)
where:
Base-Base interactions energy: -69.808
where: short stacking energy: -36.365
Base-Backbone interact. energy: -1.939
local terms energy: -66.443656
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -22.969
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: 0.241
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: 6
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -111.208446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.208446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.208446 (E_RNA)
where:
Base-Base interactions energy: -41.707
where: short stacking energy: -27.460
Base-Backbone interact. energy: -0.026
local terms energy: -69.476013
where:
bonds (distance) C4'-P energy: -22.058
bonds (distance) P-C4' energy: -19.704
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -5.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -107.499956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.499956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.499956 (E_RNA)
where:
Base-Base interactions energy: -39.186
where: short stacking energy: -24.885
Base-Backbone interact. energy: -1.170
local terms energy: -67.143802
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -22.124
flat angles C4'-P-C4' energy: -21.161
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: 1.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -105.615621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.615621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.615621 (E_RNA)
where:
Base-Base interactions energy: -50.736
where: short stacking energy: -40.364
Base-Backbone interact. energy: -0.431
local terms energy: -54.448215
where:
bonds (distance) C4'-P energy: -9.008
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -3.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -310.934217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.934217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.934217 (E_RNA)
where:
Base-Base interactions energy: -209.102
where: short stacking energy: -94.089
Base-Backbone interact. energy: -0.045
local terms energy: -101.786851
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -23.402
flat angles C4'-P-C4' energy: -20.888
flat angles P-C4'-P energy: -15.332
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: 2, replica: 7
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -327.621679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.621679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.621679 (E_RNA)
where:
Base-Base interactions energy: -219.530
where: short stacking energy: -101.806
Base-Backbone interact. energy: -0.233
local terms energy: -107.858395
where:
bonds (distance) C4'-P energy: -21.699
bonds (distance) P-C4' energy: -21.534
flat angles C4'-P-C4' energy: -22.705
flat angles P-C4'-P energy: -16.308
tors. eta vs tors. theta energy: -25.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -270.491582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.491582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.491582 (E_RNA)
where:
Base-Base interactions energy: -187.360
where: short stacking energy: -81.999
Base-Backbone interact. energy: 1.081
local terms energy: -84.213098
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -20.124
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -19.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -294.014337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.014337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.014337 (E_RNA)
where:
Base-Base interactions energy: -209.258
where: short stacking energy: -85.259
Base-Backbone interact. energy: -0.793
local terms energy: -83.963356
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -18.663
flat angles C4'-P-C4' energy: -21.231
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -22.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -226.470594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.470594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.470594 (E_RNA)
where:
Base-Base interactions energy: -137.719
where: short stacking energy: -55.972
Base-Backbone interact. energy: -0.698
local terms energy: -88.053627
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -19.212
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -15.249
tors. eta vs tors. theta energy: -16.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -209.075520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.075520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.075520 (E_RNA)
where:
Base-Base interactions energy: -122.297
where: short stacking energy: -52.618
Base-Backbone interact. energy: 0.558
local terms energy: -87.336259
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -22.832
flat angles C4'-P-C4' energy: -20.025
flat angles P-C4'-P energy: -15.727
tors. eta vs tors. theta energy: -12.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -145.956682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.956682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.956682 (E_RNA)
where:
Base-Base interactions energy: -83.702
where: short stacking energy: -31.642
Base-Backbone interact. energy: 0.078
local terms energy: -62.332300
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -1.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -110.457630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.457630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.457630 (E_RNA)
where:
Base-Base interactions energy: -40.745
where: short stacking energy: -38.210
Base-Backbone interact. energy: 0.291
local terms energy: -70.003125
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -10.742
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: 6
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -117.919656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.919656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.919656 (E_RNA)
where:
Base-Base interactions energy: -49.624
where: short stacking energy: -25.988
Base-Backbone interact. energy: 0.236
local terms energy: -68.531674
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: 4.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -95.382428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.382428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.382428 (E_RNA)
where:
Base-Base interactions energy: -36.763
where: short stacking energy: -25.483
Base-Backbone interact. energy: -0.737
local terms energy: -57.882356
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -5.594
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: 0.556
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: 7
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -322.119154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.119154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.119154 (E_RNA)
where:
Base-Base interactions energy: -219.381
where: short stacking energy: -92.272
Base-Backbone interact. energy: -1.170
local terms energy: -101.567886
where:
bonds (distance) C4'-P energy: -22.092
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -20.911
flat angles P-C4'-P energy: -15.040
tors. eta vs tors. theta energy: -23.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -307.506343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.506343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.506343 (E_RNA)
where:
Base-Base interactions energy: -209.070
where: short stacking energy: -90.757
Base-Backbone interact. energy: -0.764
local terms energy: -97.672398
where:
bonds (distance) C4'-P energy: -21.652
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -24.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -301.359046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.359046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.359046 (E_RNA)
where:
Base-Base interactions energy: -207.494
where: short stacking energy: -84.600
Base-Backbone interact. energy: -0.614
local terms energy: -93.251093
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -23.110
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -21.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -270.225862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.225862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.225862 (E_RNA)
where:
Base-Base interactions energy: -170.977
where: short stacking energy: -72.409
Base-Backbone interact. energy: -0.187
local terms energy: -99.061376
where:
bonds (distance) C4'-P energy: -21.358
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -16.076
tors. eta vs tors. theta energy: -24.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -233.414949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.414949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.414949 (E_RNA)
where:
Base-Base interactions energy: -147.367
where: short stacking energy: -56.588
Base-Backbone interact. energy: -0.538
local terms energy: -85.509861
where:
bonds (distance) C4'-P energy: -21.189
bonds (distance) P-C4' energy: -19.734
flat angles C4'-P-C4' energy: -18.527
flat angles P-C4'-P energy: -6.923
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: 6, replica: 1
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -214.777774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.777774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.777774 (E_RNA)
where:
Base-Base interactions energy: -133.212
where: short stacking energy: -66.409
Base-Backbone interact. energy: -0.095
local terms energy: -81.470614
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -15.307
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: 36
Temperature: 1.200000
Total energy: -152.931753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.931753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.931753 (E_RNA)
where:
Base-Base interactions energy: -85.017
where: short stacking energy: -51.070
Base-Backbone interact. energy: 0.467
local terms energy: -68.381657
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -19.887
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -7.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -111.925048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.925048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.925048 (E_RNA)
where:
Base-Base interactions energy: -52.178
where: short stacking energy: -39.187
Base-Backbone interact. energy: -0.879
local terms energy: -58.868737
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -20.471
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -120.342605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.342605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.342605 (E_RNA)
where:
Base-Base interactions energy: -66.513
where: short stacking energy: -44.084
Base-Backbone interact. energy: -0.340
local terms energy: -53.490035
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -5.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -105.326108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.326108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.326108 (E_RNA)
where:
Base-Base interactions energy: -38.638
where: short stacking energy: -38.638
Base-Backbone interact. energy: -0.499
local terms energy: -66.189730
where:
bonds (distance) C4'-P energy: -17.947
bonds (distance) P-C4' energy: -20.761
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -3.898
tors. eta vs tors. theta energy: -5.436
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: 7
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -328.590271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.590271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.590271 (E_RNA)
where:
Base-Base interactions energy: -227.348
where: short stacking energy: -93.915
Base-Backbone interact. energy: -0.181
local terms energy: -101.060539
where:
bonds (distance) C4'-P energy: -19.541
bonds (distance) P-C4' energy: -20.696
flat angles C4'-P-C4' energy: -21.451
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -26.784
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: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -309.641528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.641528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.641528 (E_RNA)
where:
Base-Base interactions energy: -207.091
where: short stacking energy: -78.292
Base-Backbone interact. energy: -0.250
local terms energy: -102.300562
where:
bonds (distance) C4'-P energy: -20.128
bonds (distance) P-C4' energy: -24.359
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -23.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -294.252904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.252904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.252904 (E_RNA)
where:
Base-Base interactions energy: -189.918
where: short stacking energy: -79.061
Base-Backbone interact. energy: -0.639
local terms energy: -103.695719
where:
bonds (distance) C4'-P energy: -19.567
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -23.241
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: -24.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -238.215788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.215788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.215788 (E_RNA)
where:
Base-Base interactions energy: -147.023
where: short stacking energy: -65.449
Base-Backbone interact. energy: -0.080
local terms energy: -91.112752
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -13.576
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: 5, replica: 2
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -259.340194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.340194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.340194 (E_RNA)
where:
Base-Base interactions energy: -162.547
where: short stacking energy: -73.737
Base-Backbone interact. energy: -0.448
local terms energy: -96.345532
where:
bonds (distance) C4'-P energy: -22.206
bonds (distance) P-C4' energy: -20.086
flat angles C4'-P-C4' energy: -18.007
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -21.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -203.311464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.311464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.311464 (E_RNA)
where:
Base-Base interactions energy: -120.758
where: short stacking energy: -63.042
Base-Backbone interact. energy: -0.109
local terms energy: -82.444896
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -18.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -148.563509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.563509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.563509 (E_RNA)
where:
Base-Base interactions energy: -78.973
where: short stacking energy: -34.611
Base-Backbone interact. energy: -0.306
local terms energy: -69.284474
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -20.145
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -3.600
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: 5
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -119.729829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.729829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.729829 (E_RNA)
where:
Base-Base interactions energy: -50.388
where: short stacking energy: -50.388
Base-Backbone interact. energy: -0.060
local terms energy: -69.282099
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -9.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -106.043175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.043175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.043175 (E_RNA)
where:
Base-Base interactions energy: -41.641
where: short stacking energy: -37.674
Base-Backbone interact. energy: -0.088
local terms energy: -64.313697
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -4.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -94.242243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.242243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.242243 (E_RNA)
where:
Base-Base interactions energy: -33.204
where: short stacking energy: -33.204
Base-Backbone interact. energy: 3.472
local terms energy: -64.509909
where:
bonds (distance) C4'-P energy: -19.132
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: 4.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -305.035178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.035178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.035178 (E_RNA)
where:
Base-Base interactions energy: -211.132
where: short stacking energy: -85.797
Base-Backbone interact. energy: -0.287
local terms energy: -93.615795
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -19.000
flat angles C4'-P-C4' energy: -19.150
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -22.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -317.385016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.385016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.385016 (E_RNA)
where:
Base-Base interactions energy: -216.686
where: short stacking energy: -90.644
Base-Backbone interact. energy: -1.047
local terms energy: -99.652865
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -23.756
flat angles P-C4'-P energy: -12.282
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: 3, replica: 4
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -243.932990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.932990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.932990 (E_RNA)
where:
Base-Base interactions energy: -155.042
where: short stacking energy: -71.985
Base-Backbone interact. energy: -0.613
local terms energy: -88.277943
where:
bonds (distance) C4'-P energy: -19.007
bonds (distance) P-C4' energy: -22.152
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -22.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -292.388106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.388106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.388106 (E_RNA)
where:
Base-Base interactions energy: -202.408
where: short stacking energy: -88.411
Base-Backbone interact. energy: -0.164
local terms energy: -89.815591
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -22.135
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -21.260
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: 5, replica: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -207.811819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.811819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.811819 (E_RNA)
where:
Base-Base interactions energy: -123.173
where: short stacking energy: -46.158
Base-Backbone interact. energy: -1.216
local terms energy: -83.422501
where:
bonds (distance) C4'-P energy: -20.398
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -8.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -259.288443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.288443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.288443 (E_RNA)
where:
Base-Base interactions energy: -175.694
where: short stacking energy: -69.906
Base-Backbone interact. energy: 0.678
local terms energy: -84.271887
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -20.832
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -20.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -148.109265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.109265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.109265 (E_RNA)
where:
Base-Base interactions energy: -73.136
where: short stacking energy: -44.147
Base-Backbone interact. energy: -0.766
local terms energy: -74.207696
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -9.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -120.693079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.693079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.693079 (E_RNA)
where:
Base-Base interactions energy: -51.174
where: short stacking energy: -46.337
Base-Backbone interact. energy: -0.193
local terms energy: -69.326185
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -18.878
flat angles P-C4'-P energy: -5.553
tors. eta vs tors. theta energy: -10.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -122.206036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.206036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.206036 (E_RNA)
where:
Base-Base interactions energy: -52.802
where: short stacking energy: -42.213
Base-Backbone interact. energy: -1.383
local terms energy: -68.020868
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -22.211
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -99.172868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.172868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.172868 (E_RNA)
where:
Base-Base interactions energy: -40.596
where: short stacking energy: -40.394
Base-Backbone interact. energy: -0.154
local terms energy: -58.422975
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -19.139
flat angles P-C4'-P energy: -3.226
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: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -321.099857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.099857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.099857 (E_RNA)
where:
Base-Base interactions energy: -218.282
where: short stacking energy: -86.978
Base-Backbone interact. energy: -0.279
local terms energy: -102.539474
where:
bonds (distance) C4'-P energy: -20.332
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -19.548
flat angles P-C4'-P energy: -16.539
tors. eta vs tors. theta energy: -24.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -326.184009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.184009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.184009 (E_RNA)
where:
Base-Base interactions energy: -217.176
where: short stacking energy: -98.524
Base-Backbone interact. energy: -0.895
local terms energy: -108.113511
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -23.777
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -18.052
tors. eta vs tors. theta energy: -28.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -233.408194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.408194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.408194 (E_RNA)
where:
Base-Base interactions energy: -140.852
where: short stacking energy: -65.585
Base-Backbone interact. energy: 0.212
local terms energy: -92.768108
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -22.228
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -18.481
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: 9
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -289.017859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.017859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.017859 (E_RNA)
where:
Base-Base interactions energy: -199.638
where: short stacking energy: -75.400
Base-Backbone interact. energy: -0.662
local terms energy: -88.718365
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -19.536
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -19.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -217.550304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.550304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.550304 (E_RNA)
where:
Base-Base interactions energy: -131.769
where: short stacking energy: -55.016
Base-Backbone interact. energy: -0.814
local terms energy: -84.967156
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -17.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -248.222869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.222869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.222869 (E_RNA)
where:
Base-Base interactions energy: -155.525
where: short stacking energy: -70.342
Base-Backbone interact. energy: -0.296
local terms energy: -92.402279
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -21.555
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -18.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -154.960811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.960811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.960811 (E_RNA)
where:
Base-Base interactions energy: -85.302
where: short stacking energy: -47.202
Base-Backbone interact. energy: -0.741
local terms energy: -68.917690
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -21.893
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -8.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -111.771960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.771960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.771960 (E_RNA)
where:
Base-Base interactions energy: -42.806
where: short stacking energy: -33.666
Base-Backbone interact. energy: -0.336
local terms energy: -68.630260
where:
bonds (distance) C4'-P energy: -21.527
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: 2.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -112.303774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.303774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.303774 (E_RNA)
where:
Base-Base interactions energy: -48.582
where: short stacking energy: -37.094
Base-Backbone interact. energy: -1.101
local terms energy: -62.620701
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -22.705
flat angles C4'-P-C4' energy: -18.101
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -101.726910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.726910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.726910 (E_RNA)
where:
Base-Base interactions energy: -39.139
where: short stacking energy: -38.750
Base-Backbone interact. energy: -0.302
local terms energy: -62.285974
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -4.269
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: 1, replica: 7
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -317.080206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.080206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.080206 (E_RNA)
where:
Base-Base interactions energy: -222.198
where: short stacking energy: -93.396
Base-Backbone interact. energy: -0.187
local terms energy: -94.695803
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -21.325
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -23.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -313.178452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.178452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.178452 (E_RNA)
where:
Base-Base interactions energy: -213.151
where: short stacking energy: -83.802
Base-Backbone interact. energy: -0.765
local terms energy: -99.262610
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -22.903
flat angles P-C4'-P energy: -17.382
tors. eta vs tors. theta energy: -23.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -293.282937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.282937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.282937 (E_RNA)
where:
Base-Base interactions energy: -196.824
where: short stacking energy: -83.768
Base-Backbone interact. energy: -0.041
local terms energy: -96.418516
where:
bonds (distance) C4'-P energy: -19.859
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -22.210
flat angles P-C4'-P energy: -17.055
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: 4, replica: 4
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -221.621616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.621616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.621616 (E_RNA)
where:
Base-Base interactions energy: -133.670
where: short stacking energy: -66.758
Base-Backbone interact. energy: 0.711
local terms energy: -88.662822
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -20.530
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: -15.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -259.652295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.652295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.652295 (E_RNA)
where:
Base-Base interactions energy: -174.646
where: short stacking energy: -63.857
Base-Backbone interact. energy: -0.198
local terms energy: -84.808711
where:
bonds (distance) C4'-P energy: -20.290
bonds (distance) P-C4' energy: -22.081
flat angles C4'-P-C4' energy: -18.840
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -15.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -215.362769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.362769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.362769 (E_RNA)
where:
Base-Base interactions energy: -123.692
where: short stacking energy: -62.599
Base-Backbone interact. energy: -0.230
local terms energy: -91.440207
where:
bonds (distance) C4'-P energy: -24.387
bonds (distance) P-C4' energy: -20.076
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -11.810
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: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -169.324913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.324913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.324913 (E_RNA)
where:
Base-Base interactions energy: -87.321
where: short stacking energy: -59.770
Base-Backbone interact. energy: -0.348
local terms energy: -81.655858
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -13.022
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: 8, replica: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -107.674854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.674854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.674854 (E_RNA)
where:
Base-Base interactions energy: -48.481
where: short stacking energy: -40.485
Base-Backbone interact. energy: -0.102
local terms energy: -59.092043
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -5.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -118.734768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.734768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.734768 (E_RNA)
where:
Base-Base interactions energy: -51.766
where: short stacking energy: -33.012
Base-Backbone interact. energy: -1.401
local terms energy: -65.567531
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -18.602
flat angles C4'-P-C4' energy: -19.360
flat angles P-C4'-P energy: -11.624
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: 10, replica: 5
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -94.766042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.766042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.766042 (E_RNA)
where:
Base-Base interactions energy: -37.253
where: short stacking energy: -32.152
Base-Backbone interact. energy: -0.107
local terms energy: -57.405868
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -19.603
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: 1.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -333.516390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.516390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.516390 (E_RNA)
where:
Base-Base interactions energy: -229.720
where: short stacking energy: -99.775
Base-Backbone interact. energy: -0.499
local terms energy: -103.296807
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -24.025
flat angles P-C4'-P energy: -13.999
tors. eta vs tors. theta energy: -27.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -313.651932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.651932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.651932 (E_RNA)
where:
Base-Base interactions energy: -217.467
where: short stacking energy: -86.501
Base-Backbone interact. energy: -0.658
local terms energy: -95.527503
where:
bonds (distance) C4'-P energy: -17.425
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -22.276
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -27.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -287.895582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.895582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.895582 (E_RNA)
where:
Base-Base interactions energy: -199.840
where: short stacking energy: -84.273
Base-Backbone interact. energy: -0.054
local terms energy: -88.001007
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -20.142
flat angles C4'-P-C4' energy: -22.993
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -20.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -255.770046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.770046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.770046 (E_RNA)
where:
Base-Base interactions energy: -171.477
where: short stacking energy: -69.826
Base-Backbone interact. energy: -0.694
local terms energy: -83.598856
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -20.966
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -16.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -224.506765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.506765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.506765 (E_RNA)
where:
Base-Base interactions energy: -140.147
where: short stacking energy: -57.421
Base-Backbone interact. energy: -0.916
local terms energy: -83.443841
where:
bonds (distance) C4'-P energy: -20.398
bonds (distance) P-C4' energy: -22.559
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -10.915
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: 1
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -197.895920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.895920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.895920 (E_RNA)
where:
Base-Base interactions energy: -117.692
where: short stacking energy: -50.195
Base-Backbone interact. energy: 0.793
local terms energy: -80.997004
where:
bonds (distance) C4'-P energy: -22.206
bonds (distance) P-C4' energy: -23.375
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -12.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -147.501053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.501053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.501053 (E_RNA)
where:
Base-Base interactions energy: -79.550
where: short stacking energy: -38.671
Base-Backbone interact. energy: 0.352
local terms energy: -68.303175
where:
bonds (distance) C4'-P energy: -21.647
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -109.913132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.913132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.913132 (E_RNA)
where:
Base-Base interactions energy: -44.819
where: short stacking energy: -41.491
Base-Backbone interact. energy: -0.399
local terms energy: -64.694695
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -21.353
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -2.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -101.589020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.589020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.589020 (E_RNA)
where:
Base-Base interactions energy: -43.543
where: short stacking energy: -35.198
Base-Backbone interact. energy: -0.719
local terms energy: -57.327032
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -18.257
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: 1.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -101.497659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.497659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.497659 (E_RNA)
where:
Base-Base interactions energy: -41.074
where: short stacking energy: -36.956
Base-Backbone interact. energy: -0.124
local terms energy: -60.299084
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -24.417
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -2.569
tors. eta vs tors. theta energy: -0.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -317.474079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.474079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.474079 (E_RNA)
where:
Base-Base interactions energy: -216.837
where: short stacking energy: -92.450
Base-Backbone interact. energy: -0.563
local terms energy: -100.073813
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -21.308
flat angles P-C4'-P energy: -18.496
tors. eta vs tors. theta energy: -25.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -322.125210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.125210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.125210 (E_RNA)
where:
Base-Base interactions energy: -226.347
where: short stacking energy: -97.649
Base-Backbone interact. energy: 0.013
local terms energy: -95.791417
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -25.119
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -29.112
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: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -262.883773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.883773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.883773 (E_RNA)
where:
Base-Base interactions energy: -183.264
where: short stacking energy: -78.136
Base-Backbone interact. energy: -0.159
local terms energy: -79.460402
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -19.351
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: -14.955
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: 9
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -285.748147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.748147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.748147 (E_RNA)
where:
Base-Base interactions energy: -190.720
where: short stacking energy: -89.782
Base-Backbone interact. energy: -0.357
local terms energy: -94.670525
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -21.523
flat angles C4'-P-C4' energy: -25.643
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -20.250
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: 4
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -230.454639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.454639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.454639 (E_RNA)
where:
Base-Base interactions energy: -143.812
where: short stacking energy: -54.762
Base-Backbone interact. energy: 1.755
local terms energy: -88.397975
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -20.996
flat angles P-C4'-P energy: -16.187
tors. eta vs tors. theta energy: -13.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -181.046892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.046892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.046892 (E_RNA)
where:
Base-Base interactions energy: -98.977
where: short stacking energy: -54.672
Base-Backbone interact. energy: -0.577
local terms energy: -81.493297
where:
bonds (distance) C4'-P energy: -20.262
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -21.266
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -6.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -136.374701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.374701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.374701 (E_RNA)
where:
Base-Base interactions energy: -77.730
where: short stacking energy: -52.551
Base-Backbone interact. energy: -0.293
local terms energy: -58.350827
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -10.004
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -9.803
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: 8, replica: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -136.793955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.793955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.793955 (E_RNA)
where:
Base-Base interactions energy: -67.232
where: short stacking energy: -40.026
Base-Backbone interact. energy: -0.182
local terms energy: -69.379609
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: -8.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -107.426344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.426344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.426344 (E_RNA)
where:
Base-Base interactions energy: -35.366
where: short stacking energy: -35.459
Base-Backbone interact. energy: -0.154
local terms energy: -71.907003
where:
bonds (distance) C4'-P energy: -20.211
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -16.227
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: 10, replica: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -96.819278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.819278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.819278 (E_RNA)
where:
Base-Base interactions energy: -30.109
where: short stacking energy: -27.319
Base-Backbone interact. energy: -0.248
local terms energy: -66.462070
where:
bonds (distance) C4'-P energy: -21.169
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -9.629
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -3.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -313.277580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.277580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.277580 (E_RNA)
where:
Base-Base interactions energy: -215.742
where: short stacking energy: -77.811
Base-Backbone interact. energy: -1.683
local terms energy: -95.852453
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -21.721
flat angles C4'-P-C4' energy: -19.745
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -23.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -318.993189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.993189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.993189 (E_RNA)
where:
Base-Base interactions energy: -223.009
where: short stacking energy: -94.891
Base-Backbone interact. energy: -0.178
local terms energy: -95.805482
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -20.518
flat angles C4'-P-C4' energy: -21.909
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -25.659
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: 3, replica: 2
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -283.987772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.987772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.987772 (E_RNA)
where:
Base-Base interactions energy: -199.889
where: short stacking energy: -79.549
Base-Backbone interact. energy: -0.578
local terms energy: -83.521139
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -20.802
flat angles P-C4'-P energy: -10.901
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: 4, replica: 9
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -281.564516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.564516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.564516 (E_RNA)
where:
Base-Base interactions energy: -187.898
where: short stacking energy: -81.025
Base-Backbone interact. energy: 0.053
local terms energy: -93.719763
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -23.874
flat angles C4'-P-C4' energy: -20.526
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -17.261
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: 4
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -213.702211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.702211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.702211 (E_RNA)
where:
Base-Base interactions energy: -127.667
where: short stacking energy: -65.920
Base-Backbone interact. energy: -0.441
local terms energy: -85.594737
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -14.563
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: 6, replica: 1
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -220.490596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.490596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.490596 (E_RNA)
where:
Base-Base interactions energy: -143.689
where: short stacking energy: -63.808
Base-Backbone interact. energy: -0.420
local terms energy: -76.381721
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -22.125
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -12.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -162.381420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.381420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.381420 (E_RNA)
where:
Base-Base interactions energy: -89.081
where: short stacking energy: -56.667
Base-Backbone interact. energy: -0.133
local terms energy: -73.167882
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -13.318
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: 6
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -114.588020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.588020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.588020 (E_RNA)
where:
Base-Base interactions energy: -38.750
where: short stacking energy: -38.750
Base-Backbone interact. energy: -1.560
local terms energy: -74.277926
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -19.716
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -5.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -112.112701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.112701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.112701 (E_RNA)
where:
Base-Base interactions energy: -42.605
where: short stacking energy: -35.858
Base-Backbone interact. energy: -0.118
local terms energy: -69.389578
where:
bonds (distance) C4'-P energy: -19.193
bonds (distance) P-C4' energy: -22.046
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -95.653640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.653640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.653640 (E_RNA)
where:
Base-Base interactions energy: -34.254
where: short stacking energy: -27.483
Base-Backbone interact. energy: -0.081
local terms energy: -61.317918
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: 2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -330.205343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.205343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.205343 (E_RNA)
where:
Base-Base interactions energy: -229.602
where: short stacking energy: -100.355
Base-Backbone interact. energy: -0.512
local terms energy: -100.091910
where:
bonds (distance) C4'-P energy: -22.757
bonds (distance) P-C4' energy: -23.519
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -23.787
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: 2, replica: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -306.174566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.174566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.174566 (E_RNA)
where:
Base-Base interactions energy: -204.551
where: short stacking energy: -77.617
Base-Backbone interact. energy: -0.284
local terms energy: -101.339913
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -22.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -287.689250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.689250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.689250 (E_RNA)
where:
Base-Base interactions energy: -196.034
where: short stacking energy: -78.926
Base-Backbone interact. energy: -0.482
local terms energy: -91.173978
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -21.076
flat angles P-C4'-P energy: -14.385
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: 4, replica: 9
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -292.453488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.453488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.453488 (E_RNA)
where:
Base-Base interactions energy: -199.270
where: short stacking energy: -80.446
Base-Backbone interact. energy: -0.404
local terms energy: -92.779837
where:
bonds (distance) C4'-P energy: -20.629
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -21.746
flat angles P-C4'-P energy: -16.262
tors. eta vs tors. theta energy: -21.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -221.189423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.189423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.189423 (E_RNA)
where:
Base-Base interactions energy: -141.870
where: short stacking energy: -65.133
Base-Backbone interact. energy: -0.073
local terms energy: -79.245851
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -13.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -205.474885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.474885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.474885 (E_RNA)
where:
Base-Base interactions energy: -128.457
where: short stacking energy: -59.993
Base-Backbone interact. energy: -0.227
local terms energy: -76.790788
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -20.354
flat angles C4'-P-C4' energy: -18.408
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -12.973
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: 8
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -139.935872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.935872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.935872 (E_RNA)
where:
Base-Base interactions energy: -77.204
where: short stacking energy: -52.241
Base-Backbone interact. energy: -0.776
local terms energy: -61.955619
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -9.498
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: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -119.711725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.711725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.711725 (E_RNA)
where:
Base-Base interactions energy: -50.989
where: short stacking energy: -45.222
Base-Backbone interact. energy: -0.008
local terms energy: -68.715311
where:
bonds (distance) C4'-P energy: -19.985
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -7.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -109.150153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.150153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.150153 (E_RNA)
where:
Base-Base interactions energy: -43.137
where: short stacking energy: -38.303
Base-Backbone interact. energy: -0.135
local terms energy: -65.878405
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -20.240
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -3.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -92.130459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.130459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.130459 (E_RNA)
where:
Base-Base interactions energy: -32.400
where: short stacking energy: -24.293
Base-Backbone interact. energy: 0.614
local terms energy: -60.343566
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -18.068
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: 4.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -331.842905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.842905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.842905 (E_RNA)
where:
Base-Base interactions energy: -233.484
where: short stacking energy: -100.830
Base-Backbone interact. energy: -0.123
local terms energy: -98.235897
where:
bonds (distance) C4'-P energy: -22.360
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -18.146
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -23.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -309.697813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.697813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.697813 (E_RNA)
where:
Base-Base interactions energy: -213.047
where: short stacking energy: -79.661
Base-Backbone interact. energy: -0.383
local terms energy: -96.268048
where:
bonds (distance) C4'-P energy: -20.563
bonds (distance) P-C4' energy: -19.283
flat angles C4'-P-C4' energy: -20.962
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -24.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -289.287749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.287749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.287749 (E_RNA)
where:
Base-Base interactions energy: -203.761
where: short stacking energy: -79.514
Base-Backbone interact. energy: -2.010
local terms energy: -83.517236
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -20.986
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: 9
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -289.326255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.326255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.326255 (E_RNA)
where:
Base-Base interactions energy: -195.555
where: short stacking energy: -79.284
Base-Backbone interact. energy: -0.216
local terms energy: -93.555617
where:
bonds (distance) C4'-P energy: -18.439
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -23.582
flat angles P-C4'-P energy: -12.909
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: 5, replica: 1
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -229.778754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.778754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.778754 (E_RNA)
where:
Base-Base interactions energy: -142.417
where: short stacking energy: -72.010
Base-Backbone interact. energy: -0.016
local terms energy: -87.345728
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -18.673
flat angles C4'-P-C4' energy: -21.534
flat angles P-C4'-P energy: -10.300
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: 4
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -218.731896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.731896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.731896 (E_RNA)
where:
Base-Base interactions energy: -133.995
where: short stacking energy: -65.247
Base-Backbone interact. energy: -0.998
local terms energy: -83.739467
where:
bonds (distance) C4'-P energy: -17.733
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -16.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -119.622160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.622160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.622160 (E_RNA)
where:
Base-Base interactions energy: -49.737
where: short stacking energy: -47.099
Base-Backbone interact. energy: -0.099
local terms energy: -69.785676
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -20.475
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -1.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -117.100647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.100647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.100647 (E_RNA)
where:
Base-Base interactions energy: -56.872
where: short stacking energy: -56.872
Base-Backbone interact. energy: 0.897
local terms energy: -61.125773
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -17.813
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -6.022
tors. eta vs tors. theta energy: -11.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -115.582644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.582644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.582644 (E_RNA)
where:
Base-Base interactions energy: -49.921
where: short stacking energy: -48.360
Base-Backbone interact. energy: 1.909
local terms energy: -67.570780
where:
bonds (distance) C4'-P energy: -17.371
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -19.935
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -1.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -120.229410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.229410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.229410 (E_RNA)
where:
Base-Base interactions energy: -52.869
where: short stacking energy: -35.009
Base-Backbone interact. energy: 0.933
local terms energy: -68.293499
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -19.127
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -2.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -320.907452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.907452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.907452 (E_RNA)
where:
Base-Base interactions energy: -220.980
where: short stacking energy: -99.543
Base-Backbone interact. energy: -0.267
local terms energy: -99.661115
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -20.242
flat angles C4'-P-C4' energy: -22.261
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -25.256
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: 3
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -310.708405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.708405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.708405 (E_RNA)
where:
Base-Base interactions energy: -207.984
where: short stacking energy: -84.339
Base-Backbone interact. energy: -0.459
local terms energy: -102.265731
where:
bonds (distance) C4'-P energy: -20.505
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -22.948
flat angles P-C4'-P energy: -14.983
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: 3, replica: 2
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -292.635771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.635771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.635771 (E_RNA)
where:
Base-Base interactions energy: -201.854
where: short stacking energy: -84.625
Base-Backbone interact. energy: -1.135
local terms energy: -89.646412
where:
bonds (distance) C4'-P energy: -20.249
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -23.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -286.791606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.791606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.791606 (E_RNA)
where:
Base-Base interactions energy: -196.732
where: short stacking energy: -85.244
Base-Backbone interact. energy: -0.196
local terms energy: -89.863591
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -20.802
flat angles P-C4'-P energy: -10.260
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: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -242.655040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.655040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.655040 (E_RNA)
where:
Base-Base interactions energy: -157.810
where: short stacking energy: -59.709
Base-Backbone interact. energy: -0.723
local terms energy: -84.122028
where:
bonds (distance) C4'-P energy: -19.400
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -21.742
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -15.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -215.296864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.296864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.296864 (E_RNA)
where:
Base-Base interactions energy: -128.403
where: short stacking energy: -63.358
Base-Backbone interact. energy: -0.563
local terms energy: -86.331186
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -22.566
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -12.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -121.592900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.592900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.592900 (E_RNA)
where:
Base-Base interactions energy: -65.670
where: short stacking energy: -47.805
Base-Backbone interact. energy: -0.452
local terms energy: -55.470207
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -0.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -125.412760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.412760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.412760 (E_RNA)
where:
Base-Base interactions energy: -51.921
where: short stacking energy: -40.426
Base-Backbone interact. energy: -1.036
local terms energy: -72.455921
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -21.492
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -111.320103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.320103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.320103 (E_RNA)
where:
Base-Base interactions energy: -45.748
where: short stacking energy: -42.296
Base-Backbone interact. energy: -0.013
local terms energy: -65.558975
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -90.824455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.824455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.824455 (E_RNA)
where:
Base-Base interactions energy: -24.162
where: short stacking energy: -22.432
Base-Backbone interact. energy: -0.056
local terms energy: -66.607262
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -20.240
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -3.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -336.784212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.784212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.784212 (E_RNA)
where:
Base-Base interactions energy: -232.657
where: short stacking energy: -100.338
Base-Backbone interact. energy: 0.762
local terms energy: -104.889121
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -23.316
flat angles P-C4'-P energy: -19.479
tors. eta vs tors. theta energy: -26.691
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: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -302.451036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.451036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.451036 (E_RNA)
where:
Base-Base interactions energy: -202.871
where: short stacking energy: -75.029
Base-Backbone interact. energy: -0.617
local terms energy: -98.962934
where:
bonds (distance) C4'-P energy: -22.539
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -21.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -283.469082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.469082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.469082 (E_RNA)
where:
Base-Base interactions energy: -196.476
where: short stacking energy: -80.925
Base-Backbone interact. energy: -0.389
local terms energy: -86.603800
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -20.318
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -23.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -290.122468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.122468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.122468 (E_RNA)
where:
Base-Base interactions energy: -196.319
where: short stacking energy: -86.997
Base-Backbone interact. energy: -0.554
local terms energy: -93.248872
where:
bonds (distance) C4'-P energy: -21.656
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -21.702
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -20.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -246.119434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.119434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.119434 (E_RNA)
where:
Base-Base interactions energy: -161.312
where: short stacking energy: -72.611
Base-Backbone interact. energy: -0.300
local terms energy: -84.506798
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -20.701
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: 47
Temperature: 1.150000
Total energy: -208.115338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.115338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.115338 (E_RNA)
where:
Base-Base interactions energy: -120.306
where: short stacking energy: -55.772
Base-Backbone interact. energy: 0.287
local terms energy: -88.096619
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: -15.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -113.077137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.077137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.077137 (E_RNA)
where:
Base-Base interactions energy: -49.463
where: short stacking energy: -27.693
Base-Backbone interact. energy: -0.839
local terms energy: -62.775280
where:
bonds (distance) C4'-P energy: -17.981
bonds (distance) P-C4' energy: -23.222
flat angles C4'-P-C4' energy: -6.818
flat angles P-C4'-P energy: -13.994
tors. eta vs tors. theta energy: -0.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -137.708291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.708291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.708291 (E_RNA)
where:
Base-Base interactions energy: -61.825
where: short stacking energy: -42.556
Base-Backbone interact. energy: -0.299
local terms energy: -75.584091
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -98.379714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.379714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.379714 (E_RNA)
where:
Base-Base interactions energy: -29.234
where: short stacking energy: -28.523
Base-Backbone interact. energy: 0.020
local terms energy: -69.165945
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -22.866
flat angles C4'-P-C4' energy: -19.776
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: -0.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -95.984004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.984004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.984004 (E_RNA)
where:
Base-Base interactions energy: -31.078
where: short stacking energy: -26.823
Base-Backbone interact. energy: -1.313
local terms energy: -63.593528
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -325.237057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.237057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.237057 (E_RNA)
where:
Base-Base interactions energy: -222.820
where: short stacking energy: -99.890
Base-Backbone interact. energy: -0.373
local terms energy: -102.043644
where:
bonds (distance) C4'-P energy: -22.535
bonds (distance) P-C4' energy: -21.829
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -26.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -307.666765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.666765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.666765 (E_RNA)
where:
Base-Base interactions energy: -207.352
where: short stacking energy: -82.067
Base-Backbone interact. energy: -0.223
local terms energy: -100.092276
where:
bonds (distance) C4'-P energy: -19.662
bonds (distance) P-C4' energy: -21.810
flat angles C4'-P-C4' energy: -21.636
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -22.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -298.664140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.664140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.664140 (E_RNA)
where:
Base-Base interactions energy: -206.096
where: short stacking energy: -95.007
Base-Backbone interact. energy: -0.266
local terms energy: -92.302457
where:
bonds (distance) C4'-P energy: -20.183
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -15.095
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: 4, replica: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -278.479610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.479610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.479610 (E_RNA)
where:
Base-Base interactions energy: -186.728
where: short stacking energy: -80.616
Base-Backbone interact. energy: 0.551
local terms energy: -92.302605
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -22.356
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -18.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -245.056477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.056477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.056477 (E_RNA)
where:
Base-Base interactions energy: -158.563
where: short stacking energy: -69.231
Base-Backbone interact. energy: -0.087
local terms energy: -86.406092
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -21.325
flat angles P-C4'-P energy: -16.070
tors. eta vs tors. theta energy: -17.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -194.167101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.167101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.167101 (E_RNA)
where:
Base-Base interactions energy: -116.556
where: short stacking energy: -60.154
Base-Backbone interact. energy: -0.379
local terms energy: -77.232033
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -17.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -110.991810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.991810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.991810 (E_RNA)
where:
Base-Base interactions energy: -38.717
where: short stacking energy: -38.710
Base-Backbone interact. energy: -0.184
local terms energy: -72.090653
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -20.633
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -4.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -145.015077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.015077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.015077 (E_RNA)
where:
Base-Base interactions energy: -66.992
where: short stacking energy: -37.005
Base-Backbone interact. energy: -0.106
local terms energy: -77.916633
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -9.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -132.096664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.096664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.096664 (E_RNA)
where:
Base-Base interactions energy: -59.588
where: short stacking energy: -32.314
Base-Backbone interact. energy: 0.364
local terms energy: -72.872657
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -21.642
flat angles C4'-P-C4' energy: -20.964
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -93.667430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.667430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.667430 (E_RNA)
where:
Base-Base interactions energy: -29.160
where: short stacking energy: -27.499
Base-Backbone interact. energy: 0.874
local terms energy: -65.381743
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -23.110
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: 2.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -329.230748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.230748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.230748 (E_RNA)
where:
Base-Base interactions energy: -221.773
where: short stacking energy: -100.101
Base-Backbone interact. energy: -0.404
local terms energy: -107.053922
where:
bonds (distance) C4'-P energy: -17.981
bonds (distance) P-C4' energy: -20.775
flat angles C4'-P-C4' energy: -24.540
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -32.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -302.714799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.714799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.714799 (E_RNA)
where:
Base-Base interactions energy: -203.284
where: short stacking energy: -77.545
Base-Backbone interact. energy: -0.289
local terms energy: -99.142564
where:
bonds (distance) C4'-P energy: -19.845
bonds (distance) P-C4' energy: -22.334
flat angles C4'-P-C4' energy: -23.635
flat angles P-C4'-P energy: -13.785
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: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -291.794557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.794557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.794557 (E_RNA)
where:
Base-Base interactions energy: -209.659
where: short stacking energy: -78.114
Base-Backbone interact. energy: -0.213
local terms energy: -81.923183
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -20.694
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -6.958
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: 4, replica: 2
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -280.079445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.079445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.079445 (E_RNA)
where:
Base-Base interactions energy: -186.653
where: short stacking energy: -76.584
Base-Backbone interact. energy: -0.292
local terms energy: -93.134022
where:
bonds (distance) C4'-P energy: -19.207
bonds (distance) P-C4' energy: -20.065
flat angles C4'-P-C4' energy: -20.240
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -23.456
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: 1
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -228.866770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.866770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.866770 (E_RNA)
where:
Base-Base interactions energy: -142.024
where: short stacking energy: -71.937
Base-Backbone interact. energy: -0.116
local terms energy: -86.726355
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -21.583
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -15.382
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: 4
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -187.076626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.076626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.076626 (E_RNA)
where:
Base-Base interactions energy: -120.035
where: short stacking energy: -56.768
Base-Backbone interact. energy: -1.579
local terms energy: -65.462826
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -10.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -117.802170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.802170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.802170 (E_RNA)
where:
Base-Base interactions energy: -47.529
where: short stacking energy: -43.569
Base-Backbone interact. energy: -1.006
local terms energy: -69.267466
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -10.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -202.716656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.716656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.716656 (E_RNA)
where:
Base-Base interactions energy: -130.749
where: short stacking energy: -70.482
Base-Backbone interact. energy: -0.298
local terms energy: -71.669852
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -114.016192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.016192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.016192 (E_RNA)
where:
Base-Base interactions energy: -53.075
where: short stacking energy: -49.868
Base-Backbone interact. energy: -0.122
local terms energy: -60.819023
where:
bonds (distance) C4'-P energy: -9.462
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -5.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -98.778434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.778434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.778434 (E_RNA)
where:
Base-Base interactions energy: -44.215
where: short stacking energy: -24.599
Base-Backbone interact. energy: -0.489
local terms energy: -54.074559
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -19.238
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: 5.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -327.854255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.854255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.854255 (E_RNA)
where:
Base-Base interactions energy: -219.538
where: short stacking energy: -97.840
Base-Backbone interact. energy: -0.277
local terms energy: -108.039703
where:
bonds (distance) C4'-P energy: -22.869
bonds (distance) P-C4' energy: -23.046
flat angles C4'-P-C4' energy: -22.349
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -23.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -303.600272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.600272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.600272 (E_RNA)
where:
Base-Base interactions energy: -217.424
where: short stacking energy: -88.392
Base-Backbone interact. energy: 0.041
local terms energy: -86.217407
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -21.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -285.972670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.972670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.972670 (E_RNA)
where:
Base-Base interactions energy: -194.460
where: short stacking energy: -85.472
Base-Backbone interact. energy: -0.297
local terms energy: -91.216092
where:
bonds (distance) C4'-P energy: -16.332
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -22.583
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -21.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -268.788855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.788855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.788855 (E_RNA)
where:
Base-Base interactions energy: -189.457
where: short stacking energy: -75.741
Base-Backbone interact. energy: -0.228
local terms energy: -79.104253
where:
bonds (distance) C4'-P energy: -22.480
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -14.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -249.561358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.561358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.561358 (E_RNA)
where:
Base-Base interactions energy: -162.797
where: short stacking energy: -67.658
Base-Backbone interact. energy: -0.441
local terms energy: -86.323505
where:
bonds (distance) C4'-P energy: -20.204
bonds (distance) P-C4' energy: -23.123
flat angles C4'-P-C4' energy: -18.005
flat angles P-C4'-P energy: -10.766
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: 6, replica: 4
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -232.551328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.551328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.551328 (E_RNA)
where:
Base-Base interactions energy: -146.461
where: short stacking energy: -64.400
Base-Backbone interact. energy: -0.198
local terms energy: -85.892870
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -20.319
flat angles P-C4'-P energy: -15.208
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: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -244.835859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.835859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.835859 (E_RNA)
where:
Base-Base interactions energy: -153.757
where: short stacking energy: -68.815
Base-Backbone interact. energy: -0.429
local terms energy: -90.650624
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -21.039
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -21.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -114.260150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.260150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.260150 (E_RNA)
where:
Base-Base interactions energy: -41.042
where: short stacking energy: -33.555
Base-Backbone interact. energy: -0.326
local terms energy: -72.892932
where:
bonds (distance) C4'-P energy: -20.339
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -3.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -117.468850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.468850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.468850 (E_RNA)
where:
Base-Base interactions energy: -48.057
where: short stacking energy: -35.817
Base-Backbone interact. energy: -0.928
local terms energy: -68.483317
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: 1.705
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: 10, replica: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -104.038181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.038181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.038181 (E_RNA)
where:
Base-Base interactions energy: -40.457
where: short stacking energy: -41.598
Base-Backbone interact. energy: -0.285
local terms energy: -63.295714
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -10.433
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: 1, replica: 7
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -325.719489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.719489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.719489 (E_RNA)
where:
Base-Base interactions energy: -228.838
where: short stacking energy: -102.526
Base-Backbone interact. energy: -0.098
local terms energy: -96.784031
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -23.727
flat angles C4'-P-C4' energy: -21.060
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -25.641
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: 9
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -306.569605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.569605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.569605 (E_RNA)
where:
Base-Base interactions energy: -217.091
where: short stacking energy: -84.425
Base-Backbone interact. energy: -0.159
local terms energy: -89.319802
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -20.328
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -18.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -279.982790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.982790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.982790 (E_RNA)
where:
Base-Base interactions energy: -184.507
where: short stacking energy: -77.410
Base-Backbone interact. energy: -0.191
local terms energy: -95.285454
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -19.950
flat angles C4'-P-C4' energy: -22.584
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -20.688
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: 1
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -252.903672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.903672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.903672 (E_RNA)
where:
Base-Base interactions energy: -168.108
where: short stacking energy: -67.172
Base-Backbone interact. energy: -0.760
local terms energy: -84.035473
where:
bonds (distance) C4'-P energy: -19.992
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -14.122
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: 51
Temperature: 1.100000
Total energy: -288.958158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.958158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.958158 (E_RNA)
where:
Base-Base interactions energy: -206.436
where: short stacking energy: -83.361
Base-Backbone interact. energy: -0.336
local terms energy: -82.186330
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -21.350
flat angles P-C4'-P energy: -5.437
tors. eta vs tors. theta energy: -24.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -254.743743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.743743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.743743 (E_RNA)
where:
Base-Base interactions energy: -158.368
where: short stacking energy: -75.519
Base-Backbone interact. energy: -0.229
local terms energy: -96.146828
where:
bonds (distance) C4'-P energy: -19.571
bonds (distance) P-C4' energy: -22.710
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -15.400
tors. eta vs tors. theta energy: -20.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -206.404684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.404684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.404684 (E_RNA)
where:
Base-Base interactions energy: -128.735
where: short stacking energy: -61.601
Base-Backbone interact. energy: -0.185
local terms energy: -77.484618
where:
bonds (distance) C4'-P energy: -19.164
bonds (distance) P-C4' energy: -17.567
flat angles C4'-P-C4' energy: -21.094
flat angles P-C4'-P energy: -2.494
tors. eta vs tors. theta energy: -17.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -116.194226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.194226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.194226 (E_RNA)
where:
Base-Base interactions energy: -47.669
where: short stacking energy: -39.317
Base-Backbone interact. energy: -0.117
local terms energy: -68.408794
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -2.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -111.726360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.726360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.726360 (E_RNA)
where:
Base-Base interactions energy: -45.056
where: short stacking energy: -32.122
Base-Backbone interact. energy: -0.279
local terms energy: -66.390957
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -2.214
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: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -95.715678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.715678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.715678 (E_RNA)
where:
Base-Base interactions energy: -37.389
where: short stacking energy: -30.949
Base-Backbone interact. energy: -0.301
local terms energy: -58.025885
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -0.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -325.684389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.684389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.684389 (E_RNA)
where:
Base-Base interactions energy: -219.816
where: short stacking energy: -100.010
Base-Backbone interact. energy: -0.106
local terms energy: -105.762415
where:
bonds (distance) C4'-P energy: -20.239
bonds (distance) P-C4' energy: -20.748
flat angles C4'-P-C4' energy: -21.461
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -29.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -302.592233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.592233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.592233 (E_RNA)
where:
Base-Base interactions energy: -204.367
where: short stacking energy: -89.301
Base-Backbone interact. energy: -0.329
local terms energy: -97.896760
where:
bonds (distance) C4'-P energy: -18.052
bonds (distance) P-C4' energy: -24.045
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -23.537
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: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -268.231480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.231480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.231480 (E_RNA)
where:
Base-Base interactions energy: -179.277
where: short stacking energy: -79.121
Base-Backbone interact. energy: -0.316
local terms energy: -88.638680
where:
bonds (distance) C4'-P energy: -20.058
bonds (distance) P-C4' energy: -20.930
flat angles C4'-P-C4' energy: -22.158
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -14.504
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: 1
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -269.705525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.705525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.705525 (E_RNA)
where:
Base-Base interactions energy: -184.017
where: short stacking energy: -78.631
Base-Backbone interact. energy: -0.107
local terms energy: -85.581341
where:
bonds (distance) C4'-P energy: -8.497
bonds (distance) P-C4' energy: -22.356
flat angles C4'-P-C4' energy: -20.154
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -22.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -273.252095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.252095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.252095 (E_RNA)
where:
Base-Base interactions energy: -187.613
where: short stacking energy: -85.153
Base-Backbone interact. energy: -0.241
local terms energy: -85.397908
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -22.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -245.085107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.085107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.085107 (E_RNA)
where:
Base-Base interactions energy: -158.617
where: short stacking energy: -75.150
Base-Backbone interact. energy: -0.377
local terms energy: -86.091667
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -12.640
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: 7, replica: 4
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -172.783172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.783172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.783172 (E_RNA)
where:
Base-Base interactions energy: -97.272
where: short stacking energy: -44.311
Base-Backbone interact. energy: 0.305
local terms energy: -75.816412
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -10.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -120.268280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.268280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.268280 (E_RNA)
where:
Base-Base interactions energy: -54.611
where: short stacking energy: -37.882
Base-Backbone interact. energy: -0.224
local terms energy: -65.432572
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -19.006
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -6.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -115.409054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.409054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.409054 (E_RNA)
where:
Base-Base interactions energy: -53.752
where: short stacking energy: -34.004
Base-Backbone interact. energy: 3.473
local terms energy: -65.129654
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -18.935
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -3.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -108.883724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.883724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.883724 (E_RNA)
where:
Base-Base interactions energy: -41.099
where: short stacking energy: -35.457
Base-Backbone interact. energy: -0.274
local terms energy: -67.511483
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -10.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -331.198091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.198091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.198091 (E_RNA)
where:
Base-Base interactions energy: -225.745
where: short stacking energy: -96.743
Base-Backbone interact. energy: 0.283
local terms energy: -105.735720
where:
bonds (distance) C4'-P energy: -20.568
bonds (distance) P-C4' energy: -19.544
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -16.500
tors. eta vs tors. theta energy: -28.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -316.539326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.539326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.539326 (E_RNA)
where:
Base-Base interactions energy: -215.900
where: short stacking energy: -90.210
Base-Backbone interact. energy: 0.103
local terms energy: -100.742675
where:
bonds (distance) C4'-P energy: -21.392
bonds (distance) P-C4' energy: -20.439
flat angles C4'-P-C4' energy: -21.819
flat angles P-C4'-P energy: -15.975
tors. eta vs tors. theta energy: -21.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -270.297492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.297492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.297492 (E_RNA)
where:
Base-Base interactions energy: -167.560
where: short stacking energy: -69.314
Base-Backbone interact. energy: -0.018
local terms energy: -102.719795
where:
bonds (distance) C4'-P energy: -21.838
bonds (distance) P-C4' energy: -21.840
flat angles C4'-P-C4' energy: -22.263
flat angles P-C4'-P energy: -17.334
tors. eta vs tors. theta energy: -19.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -284.001262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.001262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.001262 (E_RNA)
where:
Base-Base interactions energy: -190.384
where: short stacking energy: -81.526
Base-Backbone interact. energy: 0.221
local terms energy: -93.838580
where:
bonds (distance) C4'-P energy: -19.921
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -23.238
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -21.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -248.227243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.227243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.227243 (E_RNA)
where:
Base-Base interactions energy: -158.705
where: short stacking energy: -68.086
Base-Backbone interact. energy: -0.147
local terms energy: -89.375194
where:
bonds (distance) C4'-P energy: -20.825
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -21.272
flat angles P-C4'-P energy: -15.898
tors. eta vs tors. theta energy: -12.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -244.507606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.507606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.507606 (E_RNA)
where:
Base-Base interactions energy: -152.857
where: short stacking energy: -69.618
Base-Backbone interact. energy: -0.153
local terms energy: -91.496983
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -21.171
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -22.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -167.648055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.648055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.648055 (E_RNA)
where:
Base-Base interactions energy: -100.041
where: short stacking energy: -38.592
Base-Backbone interact. energy: -0.389
local terms energy: -67.218153
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -22.317
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -113.086218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.086218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.086218 (E_RNA)
where:
Base-Base interactions energy: -52.002
where: short stacking energy: -33.046
Base-Backbone interact. energy: -0.234
local terms energy: -60.849548
where:
bonds (distance) C4'-P energy: -16.332
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -110.230439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.230439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.230439 (E_RNA)
where:
Base-Base interactions energy: -40.437
where: short stacking energy: -35.733
Base-Backbone interact. energy: 0.989
local terms energy: -70.782994
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -19.240
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -132.574643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.574643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.574643 (E_RNA)
where:
Base-Base interactions energy: -65.920
where: short stacking energy: -40.697
Base-Backbone interact. energy: -0.821
local terms energy: -65.833874
where:
bonds (distance) C4'-P energy: -20.650
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -3.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -333.573613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.573613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.573613 (E_RNA)
where:
Base-Base interactions energy: -230.735
where: short stacking energy: -108.412
Base-Backbone interact. energy: -0.635
local terms energy: -102.203014
where:
bonds (distance) C4'-P energy: -20.505
bonds (distance) P-C4' energy: -19.501
flat angles C4'-P-C4' energy: -22.729
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -30.561
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: 54
Temperature: 0.950000
Total energy: -311.477655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.477655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.477655 (E_RNA)
where:
Base-Base interactions energy: -215.820
where: short stacking energy: -82.879
Base-Backbone interact. energy: -0.111
local terms energy: -95.546259
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -20.970
flat angles C4'-P-C4' energy: -23.095
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -25.517
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: 3, replica: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -297.116530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.116530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.116530 (E_RNA)
where:
Base-Base interactions energy: -200.070
where: short stacking energy: -84.961
Base-Backbone interact. energy: -0.099
local terms energy: -96.948260
where:
bonds (distance) C4'-P energy: -21.048
bonds (distance) P-C4' energy: -17.986
flat angles C4'-P-C4' energy: -22.306
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -26.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -258.917793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.917793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.917793 (E_RNA)
where:
Base-Base interactions energy: -165.788
where: short stacking energy: -73.512
Base-Backbone interact. energy: -0.256
local terms energy: -92.873573
where:
bonds (distance) C4'-P energy: -18.643
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -22.403
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -19.163
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: 5, replica: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -255.350831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.350831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.350831 (E_RNA)
where:
Base-Base interactions energy: -164.429
where: short stacking energy: -80.890
Base-Backbone interact. energy: -0.065
local terms energy: -90.856357
where:
bonds (distance) C4'-P energy: -20.955
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -22.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -236.890598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.890598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.890598 (E_RNA)
where:
Base-Base interactions energy: -164.668
where: short stacking energy: -65.315
Base-Backbone interact. energy: -0.883
local terms energy: -71.339962
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -18.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -201.177684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.177684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.177684 (E_RNA)
where:
Base-Base interactions energy: -125.813
where: short stacking energy: -63.831
Base-Backbone interact. energy: -0.133
local terms energy: -75.231292
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -6.607
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: 8, replica: 10
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -123.515922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.515922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.515922 (E_RNA)
where:
Base-Base interactions energy: -55.414
where: short stacking energy: -36.648
Base-Backbone interact. energy: -0.287
local terms energy: -67.814834
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -6.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -110.067034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.067034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.067034 (E_RNA)
where:
Base-Base interactions energy: -46.192
where: short stacking energy: -24.979
Base-Backbone interact. energy: 0.214
local terms energy: -64.089093
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -20.426
flat angles P-C4'-P energy: -7.699
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: 10, replica: 5
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -93.712188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.712188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.712188 (E_RNA)
where:
Base-Base interactions energy: -32.205
where: short stacking energy: -24.448
Base-Backbone interact. energy: -0.947
local terms energy: -60.560661
where:
bonds (distance) C4'-P energy: -22.314
bonds (distance) P-C4' energy: -10.708
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -325.997808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.997808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.997808 (E_RNA)
where:
Base-Base interactions energy: -216.817
where: short stacking energy: -97.588
Base-Backbone interact. energy: -0.268
local terms energy: -108.913509
where:
bonds (distance) C4'-P energy: -20.142
bonds (distance) P-C4' energy: -23.880
flat angles C4'-P-C4' energy: -22.959
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -28.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -302.872300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.872300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.872300 (E_RNA)
where:
Base-Base interactions energy: -200.145
where: short stacking energy: -88.992
Base-Backbone interact. energy: -0.014
local terms energy: -102.713813
where:
bonds (distance) C4'-P energy: -23.023
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -20.458
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -24.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -303.164438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.164438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.164438 (E_RNA)
where:
Base-Base interactions energy: -203.345
where: short stacking energy: -91.402
Base-Backbone interact. energy: -0.597
local terms energy: -99.221571
where:
bonds (distance) C4'-P energy: -20.311
bonds (distance) P-C4' energy: -23.033
flat angles C4'-P-C4' energy: -20.261
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -27.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -255.881858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.881858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.881858 (E_RNA)
where:
Base-Base interactions energy: -160.644
where: short stacking energy: -80.304
Base-Backbone interact. energy: -0.636
local terms energy: -94.602331
where:
bonds (distance) C4'-P energy: -21.607
bonds (distance) P-C4' energy: -23.120
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -22.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -246.202023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.202023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.202023 (E_RNA)
where:
Base-Base interactions energy: -150.716
where: short stacking energy: -71.196
Base-Backbone interact. energy: -0.047
local terms energy: -95.438558
where:
bonds (distance) C4'-P energy: -22.019
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -21.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -248.957356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.957356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.957356 (E_RNA)
where:
Base-Base interactions energy: -160.946
where: short stacking energy: -70.552
Base-Backbone interact. energy: -0.400
local terms energy: -87.611462
where:
bonds (distance) C4'-P energy: -20.306
bonds (distance) P-C4' energy: -17.021
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -17.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -191.610242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.610242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.610242 (E_RNA)
where:
Base-Base interactions energy: -116.996
where: short stacking energy: -57.942
Base-Backbone interact. energy: -0.137
local terms energy: -74.476723
where:
bonds (distance) C4'-P energy: -18.909
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -11.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -116.097572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.097572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.097572 (E_RNA)
where:
Base-Base interactions energy: -50.787
where: short stacking energy: -50.219
Base-Backbone interact. energy: -0.097
local terms energy: -65.213308
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -8.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -112.140379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.140379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.140379 (E_RNA)
where:
Base-Base interactions energy: -38.484
where: short stacking energy: -32.584
Base-Backbone interact. energy: -0.354
local terms energy: -73.302573
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -21.633
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -8.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -98.521267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.521267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.521267 (E_RNA)
where:
Base-Base interactions energy: -53.088
where: short stacking energy: -39.059
Base-Backbone interact. energy: 2.555
local terms energy: -47.988214
where:
bonds (distance) C4'-P energy: -11.314
bonds (distance) P-C4' energy: -10.942
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: 0.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -334.208789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.208789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.208789 (E_RNA)
where:
Base-Base interactions energy: -231.042
where: short stacking energy: -105.001
Base-Backbone interact. energy: -0.887
local terms energy: -102.280087
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -24.162
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -27.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -302.043138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.043138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.043138 (E_RNA)
where:
Base-Base interactions energy: -213.772
where: short stacking energy: -82.548
Base-Backbone interact. energy: -0.152
local terms energy: -88.119143
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -21.439
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -21.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -305.938315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.938315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.938315 (E_RNA)
where:
Base-Base interactions energy: -212.074
where: short stacking energy: -96.908
Base-Backbone interact. energy: 0.595
local terms energy: -94.459593
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -19.724
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -11.728
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: 4, replica: 6
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -275.888588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.888588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.888588 (E_RNA)
where:
Base-Base interactions energy: -179.032
where: short stacking energy: -85.421
Base-Backbone interact. energy: 1.026
local terms energy: -97.882533
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -25.513
flat angles C4'-P-C4' energy: -19.282
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -26.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -242.828364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.828364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.828364 (E_RNA)
where:
Base-Base interactions energy: -156.057
where: short stacking energy: -68.060
Base-Backbone interact. energy: -0.203
local terms energy: -86.567632
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -19.422
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -22.678
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: 2
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -252.787585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.787585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.787585 (E_RNA)
where:
Base-Base interactions energy: -158.966
where: short stacking energy: -74.773
Base-Backbone interact. energy: -0.189
local terms energy: -93.632554
where:
bonds (distance) C4'-P energy: -22.414
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -21.088
flat angles P-C4'-P energy: -11.694
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: 7, replica: 4
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -195.161753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.161753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.161753 (E_RNA)
where:
Base-Base interactions energy: -112.675
where: short stacking energy: -66.287
Base-Backbone interact. energy: -0.620
local terms energy: -81.866625
where:
bonds (distance) C4'-P energy: -19.065
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -19.236
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -15.181
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: 56
Temperature: 1.250000
Total energy: -113.197561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.197561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.197561 (E_RNA)
where:
Base-Base interactions energy: -38.172
where: short stacking energy: -33.313
Base-Backbone interact. energy: -0.041
local terms energy: -74.983893
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -6.640
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: 56
Temperature: 1.300000
Total energy: -111.952191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.952191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.952191 (E_RNA)
where:
Base-Base interactions energy: -39.251
where: short stacking energy: -26.631
Base-Backbone interact. energy: -0.481
local terms energy: -72.220128
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -22.497
flat angles C4'-P-C4' energy: -19.474
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -4.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -115.872678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.872678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.872678 (E_RNA)
where:
Base-Base interactions energy: -53.032
where: short stacking energy: -50.898
Base-Backbone interact. energy: 1.129
local terms energy: -63.969252
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -17.888
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -6.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -333.368261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.368261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.368261 (E_RNA)
where:
Base-Base interactions energy: -224.072
where: short stacking energy: -101.933
Base-Backbone interact. energy: -0.825
local terms energy: -108.471287
where:
bonds (distance) C4'-P energy: -20.449
bonds (distance) P-C4' energy: -21.376
flat angles C4'-P-C4' energy: -23.315
flat angles P-C4'-P energy: -16.782
tors. eta vs tors. theta energy: -26.549
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: 2, replica: 9
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -297.493858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.493858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.493858 (E_RNA)
where:
Base-Base interactions energy: -194.359
where: short stacking energy: -84.012
Base-Backbone interact. energy: -0.424
local terms energy: -102.710878
where:
bonds (distance) C4'-P energy: -21.462
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -22.286
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -26.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -297.088751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.088751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.088751 (E_RNA)
where:
Base-Base interactions energy: -199.520
where: short stacking energy: -79.882
Base-Backbone interact. energy: -0.506
local terms energy: -97.062704
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -22.088
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -23.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -257.804631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.804631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.804631 (E_RNA)
where:
Base-Base interactions energy: -160.154
where: short stacking energy: -74.053
Base-Backbone interact. energy: 2.378
local terms energy: -100.028451
where:
bonds (distance) C4'-P energy: -20.718
bonds (distance) P-C4' energy: -20.244
flat angles C4'-P-C4' energy: -20.772
flat angles P-C4'-P energy: -15.386
tors. eta vs tors. theta energy: -22.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -234.104035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.104035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.104035 (E_RNA)
where:
Base-Base interactions energy: -145.263
where: short stacking energy: -69.026
Base-Backbone interact. energy: -0.404
local terms energy: -88.437413
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -17.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -244.325669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.325669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.325669 (E_RNA)
where:
Base-Base interactions energy: -164.878
where: short stacking energy: -74.625
Base-Backbone interact. energy: 0.357
local terms energy: -79.805278
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -20.313
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -20.698
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: 4
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -184.748652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.748652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.748652 (E_RNA)
where:
Base-Base interactions energy: -113.330
where: short stacking energy: -67.858
Base-Backbone interact. energy: -0.493
local terms energy: -70.925637
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -15.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -132.339880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.339880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.339880 (E_RNA)
where:
Base-Base interactions energy: -70.932
where: short stacking energy: -46.780
Base-Backbone interact. energy: 1.430
local terms energy: -62.837471
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -4.245
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: 8
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -110.029815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.029815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.029815 (E_RNA)
where:
Base-Base interactions energy: -43.054
where: short stacking energy: -43.054
Base-Backbone interact. energy: 0.008
local terms energy: -66.983591
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -18.268
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -7.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -101.137465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.137465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.137465 (E_RNA)
where:
Base-Base interactions energy: -37.112
where: short stacking energy: -35.452
Base-Backbone interact. energy: 2.177
local terms energy: -66.202380
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -20.873
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -5.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -334.840602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.840602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.840602 (E_RNA)
where:
Base-Base interactions energy: -231.073
where: short stacking energy: -101.105
Base-Backbone interact. energy: -0.941
local terms energy: -102.827012
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -21.824
flat angles P-C4'-P energy: -15.483
tors. eta vs tors. theta energy: -27.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -303.194584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.194584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.194584 (E_RNA)
where:
Base-Base interactions energy: -201.958
where: short stacking energy: -85.834
Base-Backbone interact. energy: 1.087
local terms energy: -102.323062
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -21.316
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -26.136
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: 58
Temperature: 1.000000
Total energy: -314.685477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.685477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.685477 (E_RNA)
where:
Base-Base interactions energy: -209.638
where: short stacking energy: -92.898
Base-Backbone interact. energy: -0.602
local terms energy: -104.444868
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -19.697
flat angles C4'-P-C4' energy: -24.224
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -27.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -268.025646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.025646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.025646 (E_RNA)
where:
Base-Base interactions energy: -170.435
where: short stacking energy: -80.176
Base-Backbone interact. energy: -0.126
local terms energy: -97.464983
where:
bonds (distance) C4'-P energy: -19.693
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -22.423
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -25.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -261.535430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.535430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.535430 (E_RNA)
where:
Base-Base interactions energy: -171.317
where: short stacking energy: -74.647
Base-Backbone interact. energy: -0.269
local terms energy: -89.949307
where:
bonds (distance) C4'-P energy: -19.865
bonds (distance) P-C4' energy: -20.271
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -14.210
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: 6, replica: 3
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -228.228828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.228828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.228828 (E_RNA)
where:
Base-Base interactions energy: -142.630
where: short stacking energy: -77.899
Base-Backbone interact. energy: -0.006
local terms energy: -85.592933
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -22.042
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -17.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -214.954046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.954046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.954046 (E_RNA)
where:
Base-Base interactions energy: -134.907
where: short stacking energy: -53.452
Base-Backbone interact. energy: -0.976
local terms energy: -79.071028
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -19.839
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -12.034
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: 5
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -130.635780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.635780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.635780 (E_RNA)
where:
Base-Base interactions energy: -62.378
where: short stacking energy: -31.310
Base-Backbone interact. energy: -0.154
local terms energy: -68.102956
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -21.758
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -1.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -103.918811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.918811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.918811 (E_RNA)
where:
Base-Base interactions energy: -43.411
where: short stacking energy: -37.516
Base-Backbone interact. energy: 0.586
local terms energy: -61.093952
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -102.849124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.849124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.849124 (E_RNA)
where:
Base-Base interactions energy: -37.053
where: short stacking energy: -29.726
Base-Backbone interact. energy: 0.193
local terms energy: -65.989368
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -1.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -321.599866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.599866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.599866 (E_RNA)
where:
Base-Base interactions energy: -213.395
where: short stacking energy: -89.307
Base-Backbone interact. energy: 0.228
local terms energy: -108.432759
where:
bonds (distance) C4'-P energy: -19.851
bonds (distance) P-C4' energy: -22.859
flat angles C4'-P-C4' energy: -24.098
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -27.601
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: 1
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -322.418722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.418722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.418722 (E_RNA)
where:
Base-Base interactions energy: -227.853
where: short stacking energy: -91.566
Base-Backbone interact. energy: -0.050
local terms energy: -94.515095
where:
bonds (distance) C4'-P energy: -20.560
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -19.596
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -25.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -302.144743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.144743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.144743 (E_RNA)
where:
Base-Base interactions energy: -198.365
where: short stacking energy: -88.549
Base-Backbone interact. energy: -0.733
local terms energy: -103.046436
where:
bonds (distance) C4'-P energy: -21.837
bonds (distance) P-C4' energy: -22.154
flat angles C4'-P-C4' energy: -19.095
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -27.008
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: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -265.047765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.047765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.047765 (E_RNA)
where:
Base-Base interactions energy: -179.459
where: short stacking energy: -78.377
Base-Backbone interact. energy: 0.873
local terms energy: -86.461818
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -11.902
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: 5, replica: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -263.287926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.287926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.287926 (E_RNA)
where:
Base-Base interactions energy: -161.050
where: short stacking energy: -83.122
Base-Backbone interact. energy: -0.078
local terms energy: -102.159729
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -23.338
flat angles C4'-P-C4' energy: -22.805
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -26.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -205.412844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.412844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.412844 (E_RNA)
where:
Base-Base interactions energy: -136.941
where: short stacking energy: -49.647
Base-Backbone interact. energy: -0.510
local terms energy: -67.961665
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -13.139
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: 7, replica: 4
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -233.424456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.424456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.424456 (E_RNA)
where:
Base-Base interactions energy: -142.673
where: short stacking energy: -68.905
Base-Backbone interact. energy: -0.069
local terms energy: -90.683365
where:
bonds (distance) C4'-P energy: -19.137
bonds (distance) P-C4' energy: -16.140
flat angles C4'-P-C4' energy: -21.905
flat angles P-C4'-P energy: -14.407
tors. eta vs tors. theta energy: -19.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -119.256685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.256685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.256685 (E_RNA)
where:
Base-Base interactions energy: -48.507
where: short stacking energy: -32.529
Base-Backbone interact. energy: -0.054
local terms energy: -70.695766
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -25.064
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: 1.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -103.972364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.972364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.972364 (E_RNA)
where:
Base-Base interactions energy: -37.117
where: short stacking energy: -31.703
Base-Backbone interact. energy: -0.331
local terms energy: -66.524303
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -19.802
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -0.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -100.843410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.843410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.843410 (E_RNA)
where:
Base-Base interactions energy: -30.973
where: short stacking energy: -30.973
Base-Backbone interact. energy: -0.051
local terms energy: -69.818868
where:
bonds (distance) C4'-P energy: -17.966
bonds (distance) P-C4' energy: -19.672
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -6.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -312.977662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.977662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.977662 (E_RNA)
where:
Base-Base interactions energy: -201.895
where: short stacking energy: -93.571
Base-Backbone interact. energy: -0.356
local terms energy: -110.726491
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -23.448
flat angles C4'-P-C4' energy: -20.086
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: -32.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -325.271444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.271444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.271444 (E_RNA)
where:
Base-Base interactions energy: -228.963
where: short stacking energy: -96.659
Base-Backbone interact. energy: -0.421
local terms energy: -95.887111
where:
bonds (distance) C4'-P energy: -20.652
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -20.565
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: -22.843
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: 9
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -306.457981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.457981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.457981 (E_RNA)
where:
Base-Base interactions energy: -207.780
where: short stacking energy: -92.989
Base-Backbone interact. energy: 0.319
local terms energy: -98.997004
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -21.058
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -26.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -259.919495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.919495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.919495 (E_RNA)
where:
Base-Base interactions energy: -172.568
where: short stacking energy: -78.265
Base-Backbone interact. energy: -3.191
local terms energy: -84.160349
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -18.703
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -20.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -208.429170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.429170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.429170 (E_RNA)
where:
Base-Base interactions energy: -124.056
where: short stacking energy: -55.324
Base-Backbone interact. energy: 1.131
local terms energy: -85.504586
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -14.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -246.812011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.812011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.812011 (E_RNA)
where:
Base-Base interactions energy: -154.321
where: short stacking energy: -74.163
Base-Backbone interact. energy: -0.053
local terms energy: -92.437569
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -18.514
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -24.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -225.440871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.440871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.440871 (E_RNA)
where:
Base-Base interactions energy: -134.640
where: short stacking energy: -65.477
Base-Backbone interact. energy: -0.391
local terms energy: -90.409267
where:
bonds (distance) C4'-P energy: -18.660
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -20.686
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -20.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -109.407937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.407937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.407937 (E_RNA)
where:
Base-Base interactions energy: -33.562
where: short stacking energy: -27.681
Base-Backbone interact. energy: 1.812
local terms energy: -77.657692
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -20.947
flat angles C4'-P-C4' energy: -22.490
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -4.573
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: 9, replica: 8
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -118.538618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.538618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.538618 (E_RNA)
where:
Base-Base interactions energy: -43.913
where: short stacking energy: -41.795
Base-Backbone interact. energy: -0.241
local terms energy: -74.385262
where:
bonds (distance) C4'-P energy: -19.996
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -7.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -114.855792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.855792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.855792 (E_RNA)
where:
Base-Base interactions energy: -46.654
where: short stacking energy: -44.748
Base-Backbone interact. energy: -0.554
local terms energy: -67.647748
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -18.900
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -5.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -319.203005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.203005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.203005 (E_RNA)
where:
Base-Base interactions energy: -216.818
where: short stacking energy: -99.005
Base-Backbone interact. energy: -0.049
local terms energy: -102.336253
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -22.933
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -27.055
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: 61
Temperature: 0.950000
Total energy: -332.945840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.945840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.945840 (E_RNA)
where:
Base-Base interactions energy: -226.562
where: short stacking energy: -96.575
Base-Backbone interact. energy: 0.192
local terms energy: -106.575162
where:
bonds (distance) C4'-P energy: -22.149
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -22.220
flat angles P-C4'-P energy: -14.926
tors. eta vs tors. theta energy: -28.696
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: 9
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -302.193760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.193760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.193760 (E_RNA)
where:
Base-Base interactions energy: -206.285
where: short stacking energy: -91.844
Base-Backbone interact. energy: -0.344
local terms energy: -95.565517
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -26.244
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: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -267.028527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.028527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.028527 (E_RNA)
where:
Base-Base interactions energy: -170.445
where: short stacking energy: -78.867
Base-Backbone interact. energy: 0.237
local terms energy: -96.820301
where:
bonds (distance) C4'-P energy: -21.007
bonds (distance) P-C4' energy: -20.266
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -24.542
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: 3
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -208.176931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.176931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.176931 (E_RNA)
where:
Base-Base interactions energy: -123.663
where: short stacking energy: -54.920
Base-Backbone interact. energy: -0.453
local terms energy: -84.061533
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -12.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -243.296971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.296971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.296971 (E_RNA)
where:
Base-Base interactions energy: -150.219
where: short stacking energy: -76.076
Base-Backbone interact. energy: -0.139
local terms energy: -92.939697
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -18.403
tors. eta vs tors. theta energy: -21.139
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: 4
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -184.142800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.142800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.142800 (E_RNA)
where:
Base-Base interactions energy: -103.397
where: short stacking energy: -48.060
Base-Backbone interact. energy: -0.067
local terms energy: -80.678002
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -8.478
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: 8, replica: 5
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -104.473725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.473725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.473725 (E_RNA)
where:
Base-Base interactions energy: -47.312
where: short stacking energy: -33.730
Base-Backbone interact. energy: -0.092
local terms energy: -57.070124
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: 5.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -116.086930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.086930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.086930 (E_RNA)
where:
Base-Base interactions energy: -32.691
where: short stacking energy: -28.296
Base-Backbone interact. energy: -0.355
local terms energy: -83.041359
where:
bonds (distance) C4'-P energy: -21.703
bonds (distance) P-C4' energy: -22.265
flat angles C4'-P-C4' energy: -21.667
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -101.411384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.411384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.411384 (E_RNA)
where:
Base-Base interactions energy: -39.721
where: short stacking energy: -32.062
Base-Backbone interact. energy: 0.430
local terms energy: -62.119787
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -17.938
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -9.839
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: 7
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -340.462822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.462822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.462822 (E_RNA)
where:
Base-Base interactions energy: -232.418
where: short stacking energy: -86.398
Base-Backbone interact. energy: -0.383
local terms energy: -107.662053
where:
bonds (distance) C4'-P energy: -22.794
bonds (distance) P-C4' energy: -23.529
flat angles C4'-P-C4' energy: -21.881
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -25.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -310.624407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.624407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.624407 (E_RNA)
where:
Base-Base interactions energy: -205.923
where: short stacking energy: -89.238
Base-Backbone interact. energy: -0.001
local terms energy: -104.700836
where:
bonds (distance) C4'-P energy: -20.551
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -20.704
flat angles P-C4'-P energy: -14.338
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: 9
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -302.118880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.118880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.118880 (E_RNA)
where:
Base-Base interactions energy: -200.097
where: short stacking energy: -86.728
Base-Backbone interact. energy: 0.200
local terms energy: -102.221578
where:
bonds (distance) C4'-P energy: -21.889
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -17.735
tors. eta vs tors. theta energy: -27.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -251.173770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.173770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.173770 (E_RNA)
where:
Base-Base interactions energy: -152.344
where: short stacking energy: -70.703
Base-Backbone interact. energy: -0.126
local terms energy: -98.704224
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -23.807
flat angles P-C4'-P energy: -14.999
tors. eta vs tors. theta energy: -22.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -251.979528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.979528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.979528 (E_RNA)
where:
Base-Base interactions energy: -155.364
where: short stacking energy: -78.655
Base-Backbone interact. energy: -0.362
local terms energy: -96.253821
where:
bonds (distance) C4'-P energy: -22.388
bonds (distance) P-C4' energy: -18.050
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -23.906
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: 6, replica: 3
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -183.608119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.608119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.608119 (E_RNA)
where:
Base-Base interactions energy: -104.829
where: short stacking energy: -63.098
Base-Backbone interact. energy: -0.308
local terms energy: -78.471937
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -17.800
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -10.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -179.594026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.594026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.594026 (E_RNA)
where:
Base-Base interactions energy: -100.281
where: short stacking energy: -52.337
Base-Backbone interact. energy: -0.934
local terms energy: -78.379437
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -22.200
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -6.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -133.659748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.659748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.659748 (E_RNA)
where:
Base-Base interactions energy: -56.060
where: short stacking energy: -48.478
Base-Backbone interact. energy: -0.429
local terms energy: -77.170633
where:
bonds (distance) C4'-P energy: -22.067
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -12.255
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: 9, replica: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -102.422738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.422738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.422738 (E_RNA)
where:
Base-Base interactions energy: -36.246
where: short stacking energy: -35.097
Base-Backbone interact. energy: -0.192
local terms energy: -65.984501
where:
bonds (distance) C4'-P energy: -18.070
bonds (distance) P-C4' energy: -25.089
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: 0.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -99.023388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.023388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.023388 (E_RNA)
where:
Base-Base interactions energy: -32.265
where: short stacking energy: -31.714
Base-Backbone interact. energy: 2.564
local terms energy: -69.322855
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -11.226
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: 1, replica: 7
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -335.502284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.502284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.502284 (E_RNA)
where:
Base-Base interactions energy: -227.534
where: short stacking energy: -99.735
Base-Backbone interact. energy: -0.115
local terms energy: -107.852989
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -21.870
flat angles C4'-P-C4' energy: -25.137
flat angles P-C4'-P energy: -17.851
tors. eta vs tors. theta energy: -24.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -300.939064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.939064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.939064 (E_RNA)
where:
Base-Base interactions energy: -201.294
where: short stacking energy: -85.567
Base-Backbone interact. energy: -0.138
local terms energy: -99.506730
where:
bonds (distance) C4'-P energy: -21.324
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -20.915
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: -23.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -304.698098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.698098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.698098 (E_RNA)
where:
Base-Base interactions energy: -194.161
where: short stacking energy: -82.360
Base-Backbone interact. energy: -0.055
local terms energy: -110.481693
where:
bonds (distance) C4'-P energy: -22.220
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -21.458
flat angles P-C4'-P energy: -19.354
tors. eta vs tors. theta energy: -26.380
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: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -270.148205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.148205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.148205 (E_RNA)
where:
Base-Base interactions energy: -169.236
where: short stacking energy: -88.741
Base-Backbone interact. energy: -0.017
local terms energy: -100.895324
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -21.758
flat angles C4'-P-C4' energy: -23.200
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -28.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -261.575400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.575400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.575400 (E_RNA)
where:
Base-Base interactions energy: -162.539
where: short stacking energy: -74.741
Base-Backbone interact. energy: 0.798
local terms energy: -99.834964
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -21.969
flat angles P-C4'-P energy: -15.804
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: 6, replica: 4
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -173.278354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.278354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.278354 (E_RNA)
where:
Base-Base interactions energy: -98.729
where: short stacking energy: -53.020
Base-Backbone interact. energy: -0.068
local terms energy: -74.481363
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -8.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -184.327978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.327978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.327978 (E_RNA)
where:
Base-Base interactions energy: -110.904
where: short stacking energy: -65.519
Base-Backbone interact. energy: 0.747
local terms energy: -74.171060
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -12.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -166.184188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.184188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.184188 (E_RNA)
where:
Base-Base interactions energy: -86.882
where: short stacking energy: -41.231
Base-Backbone interact. energy: -0.899
local terms energy: -78.403576
where:
bonds (distance) C4'-P energy: -16.656
bonds (distance) P-C4' energy: -21.740
flat angles C4'-P-C4' energy: -22.174
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -4.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -114.208006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.208006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.208006 (E_RNA)
where:
Base-Base interactions energy: -50.629
where: short stacking energy: -39.604
Base-Backbone interact. energy: 0.482
local terms energy: -64.061054
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -0.717
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: 63
Temperature: 1.350000
Total energy: -96.892867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.892867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.892867 (E_RNA)
where:
Base-Base interactions energy: -36.065
where: short stacking energy: -38.314
Base-Backbone interact. energy: -0.108
local terms energy: -60.719245
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -20.780
flat angles P-C4'-P energy: -6.034
tors. eta vs tors. theta energy: -4.373
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: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -299.135932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.135932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.135932 (E_RNA)
where:
Base-Base interactions energy: -193.226
where: short stacking energy: -76.900
Base-Backbone interact. energy: -0.457
local terms energy: -105.453189
where:
bonds (distance) C4'-P energy: -21.900
bonds (distance) P-C4' energy: -21.780
flat angles C4'-P-C4' energy: -22.943
flat angles P-C4'-P energy: -17.621
tors. eta vs tors. theta energy: -21.208
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: 7
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -325.119732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.119732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.119732 (E_RNA)
where:
Base-Base interactions energy: -220.366
where: short stacking energy: -93.128
Base-Backbone interact. energy: -0.157
local terms energy: -104.596928
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -21.307
flat angles C4'-P-C4' energy: -20.698
flat angles P-C4'-P energy: -17.412
tors. eta vs tors. theta energy: -28.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -304.442571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.442571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.442571 (E_RNA)
where:
Base-Base interactions energy: -205.348
where: short stacking energy: -85.370
Base-Backbone interact. energy: -0.077
local terms energy: -99.017015
where:
bonds (distance) C4'-P energy: -19.921
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -21.687
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -24.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -267.822697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.822697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.822697 (E_RNA)
where:
Base-Base interactions energy: -171.182
where: short stacking energy: -85.386
Base-Backbone interact. energy: -0.014
local terms energy: -96.627099
where:
bonds (distance) C4'-P energy: -19.802
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -24.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -240.668037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.668037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.668037 (E_RNA)
where:
Base-Base interactions energy: -150.350
where: short stacking energy: -70.532
Base-Backbone interact. energy: -0.469
local terms energy: -89.849051
where:
bonds (distance) C4'-P energy: -17.747
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -20.053
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -16.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -184.363377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.363377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.363377 (E_RNA)
where:
Base-Base interactions energy: -114.199
where: short stacking energy: -57.060
Base-Backbone interact. energy: -0.549
local terms energy: -69.615213
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -5.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -210.404977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.404977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.404977 (E_RNA)
where:
Base-Base interactions energy: -131.502
where: short stacking energy: -62.107
Base-Backbone interact. energy: -0.265
local terms energy: -78.638376
where:
bonds (distance) C4'-P energy: -19.260
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -13.889
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: 5
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -130.518375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.518375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.518375 (E_RNA)
where:
Base-Base interactions energy: -61.337
where: short stacking energy: -40.163
Base-Backbone interact. energy: -0.635
local terms energy: -68.547098
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -103.131206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.131206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.131206 (E_RNA)
where:
Base-Base interactions energy: -40.133
where: short stacking energy: -36.098
Base-Backbone interact. energy: 0.277
local terms energy: -63.275320
where:
bonds (distance) C4'-P energy: -19.376
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -0.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -94.273123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.273123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.273123 (E_RNA)
where:
Base-Base interactions energy: -37.385
where: short stacking energy: -31.464
Base-Backbone interact. energy: -0.265
local terms energy: -56.622777
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: 0.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -307.667022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.667022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.667022 (E_RNA)
where:
Base-Base interactions energy: -209.757
where: short stacking energy: -92.199
Base-Backbone interact. energy: -0.445
local terms energy: -97.465173
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -20.041
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -25.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -310.662070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.662070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.662070 (E_RNA)
where:
Base-Base interactions energy: -205.044
where: short stacking energy: -89.174
Base-Backbone interact. energy: -0.003
local terms energy: -105.615400
where:
bonds (distance) C4'-P energy: -21.565
bonds (distance) P-C4' energy: -21.333
flat angles C4'-P-C4' energy: -22.161
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -28.510
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: 65
Temperature: 1.000000
Total energy: -320.408380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.408380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.408380 (E_RNA)
where:
Base-Base interactions energy: -220.581
where: short stacking energy: -100.591
Base-Backbone interact. energy: -0.038
local terms energy: -99.789234
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -20.966
flat angles C4'-P-C4' energy: -21.926
flat angles P-C4'-P energy: -14.430
tors. eta vs tors. theta energy: -27.211
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: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -257.930143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.930143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.930143 (E_RNA)
where:
Base-Base interactions energy: -179.784
where: short stacking energy: -82.973
Base-Backbone interact. energy: -0.583
local terms energy: -77.563692
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -15.006
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -244.515898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.515898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.515898 (E_RNA)
where:
Base-Base interactions energy: -158.531
where: short stacking energy: -72.122
Base-Backbone interact. energy: -0.344
local terms energy: -85.641082
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -18.909
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -20.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -231.835430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.835430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.835430 (E_RNA)
where:
Base-Base interactions energy: -140.801
where: short stacking energy: -59.939
Base-Backbone interact. energy: -0.693
local terms energy: -90.341937
where:
bonds (distance) C4'-P energy: -20.971
bonds (distance) P-C4' energy: -20.935
flat angles C4'-P-C4' energy: -21.084
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -228.117077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.117077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.117077 (E_RNA)
where:
Base-Base interactions energy: -137.021
where: short stacking energy: -75.756
Base-Backbone interact. energy: -0.315
local terms energy: -90.781297
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -19.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -116.427857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.427857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.427857 (E_RNA)
where:
Base-Base interactions energy: -48.755
where: short stacking energy: -29.613
Base-Backbone interact. energy: 0.703
local terms energy: -68.375365
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -2.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -101.723758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.723758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.723758 (E_RNA)
where:
Base-Base interactions energy: -38.815
where: short stacking energy: -37.119
Base-Backbone interact. energy: -0.678
local terms energy: -62.230747
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -108.905113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.905113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.905113 (E_RNA)
where:
Base-Base interactions energy: -49.163
where: short stacking energy: -34.956
Base-Backbone interact. energy: -0.548
local terms energy: -59.193481
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -13.627
tors. eta vs tors. theta energy: -2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -312.652690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.652690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.652690 (E_RNA)
where:
Base-Base interactions energy: -211.751
where: short stacking energy: -98.890
Base-Backbone interact. energy: -0.174
local terms energy: -100.727303
where:
bonds (distance) C4'-P energy: -20.059
bonds (distance) P-C4' energy: -22.013
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -26.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -312.091211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.091211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.091211 (E_RNA)
where:
Base-Base interactions energy: -206.251
where: short stacking energy: -92.242
Base-Backbone interact. energy: -0.069
local terms energy: -105.771259
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -21.083
flat angles C4'-P-C4' energy: -22.671
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -29.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -326.577381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.577381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.577381 (E_RNA)
where:
Base-Base interactions energy: -212.762
where: short stacking energy: -96.410
Base-Backbone interact. energy: -0.991
local terms energy: -112.824987
where:
bonds (distance) C4'-P energy: -23.598
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -22.081
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -28.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -260.133159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.133159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.133159 (E_RNA)
where:
Base-Base interactions energy: -168.725
where: short stacking energy: -71.987
Base-Backbone interact. energy: -0.596
local terms energy: -90.812060
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -23.521
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -17.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -260.051459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.051459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.051459 (E_RNA)
where:
Base-Base interactions energy: -166.132
where: short stacking energy: -85.122
Base-Backbone interact. energy: -0.014
local terms energy: -93.905314
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -20.449
flat angles C4'-P-C4' energy: -21.354
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -26.863
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: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -237.342331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.342331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.342331 (E_RNA)
where:
Base-Base interactions energy: -162.242
where: short stacking energy: -61.759
Base-Backbone interact. energy: 0.801
local terms energy: -75.901319
where:
bonds (distance) C4'-P energy: -20.870
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -16.056
tors. eta vs tors. theta energy: -9.339
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: 66
Temperature: 1.200000
Total energy: -217.240479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.240479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.240479 (E_RNA)
where:
Base-Base interactions energy: -127.390
where: short stacking energy: -63.292
Base-Backbone interact. energy: -0.347
local terms energy: -89.502848
where:
bonds (distance) C4'-P energy: -18.154
bonds (distance) P-C4' energy: -22.519
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -10.313
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: 8, replica: 5
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -108.573485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.573485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.573485 (E_RNA)
where:
Base-Base interactions energy: -37.217
where: short stacking energy: -32.651
Base-Backbone interact. energy: -0.046
local terms energy: -71.310807
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -12.660
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: 9, replica: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -102.871144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.871144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.871144 (E_RNA)
where:
Base-Base interactions energy: -26.847
where: short stacking energy: -26.153
Base-Backbone interact. energy: -0.065
local terms energy: -75.959504
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -22.838
flat angles C4'-P-C4' energy: -18.746
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -3.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -101.494065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.494065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.494065 (E_RNA)
where:
Base-Base interactions energy: -34.742
where: short stacking energy: -34.742
Base-Backbone interact. energy: -0.063
local terms energy: -66.689790
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -314.975149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.975149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.975149 (E_RNA)
where:
Base-Base interactions energy: -214.490
where: short stacking energy: -93.186
Base-Backbone interact. energy: 0.700
local terms energy: -101.184800
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -23.176
flat angles P-C4'-P energy: -18.521
tors. eta vs tors. theta energy: -22.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -328.364136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.364136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.364136 (E_RNA)
where:
Base-Base interactions energy: -224.720
where: short stacking energy: -102.867
Base-Backbone interact. energy: -0.362
local terms energy: -103.281949
where:
bonds (distance) C4'-P energy: -22.236
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -21.967
flat angles P-C4'-P energy: -16.400
tors. eta vs tors. theta energy: -24.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -311.890775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.890775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.890775 (E_RNA)
where:
Base-Base interactions energy: -210.249
where: short stacking energy: -85.649
Base-Backbone interact. energy: -0.576
local terms energy: -101.065505
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -18.532
flat angles C4'-P-C4' energy: -22.093
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -30.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -260.072925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.072925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.072925 (E_RNA)
where:
Base-Base interactions energy: -182.822
where: short stacking energy: -76.798
Base-Backbone interact. energy: -0.196
local terms energy: -77.054848
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -18.779
flat angles P-C4'-P energy: -5.102
tors. eta vs tors. theta energy: -19.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -259.851955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.851955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.851955 (E_RNA)
where:
Base-Base interactions energy: -176.371
where: short stacking energy: -92.129
Base-Backbone interact. energy: 0.217
local terms energy: -83.698608
where:
bonds (distance) C4'-P energy: -10.433
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -20.010
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -22.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -199.540500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.540500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.540500 (E_RNA)
where:
Base-Base interactions energy: -129.330
where: short stacking energy: -48.329
Base-Backbone interact. energy: -1.328
local terms energy: -68.882237
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -21.083
flat angles C4'-P-C4' energy: -20.797
flat angles P-C4'-P energy: -9.377
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: 7, replica: 4
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -236.232648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.232648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.232648 (E_RNA)
where:
Base-Base interactions energy: -149.315
where: short stacking energy: -79.118
Base-Backbone interact. energy: -0.609
local terms energy: -86.308917
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -18.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -119.756036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.756036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.756036 (E_RNA)
where:
Base-Base interactions energy: -44.744
where: short stacking energy: -44.744
Base-Backbone interact. energy: -0.074
local terms energy: -74.938515
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -20.540
flat angles C4'-P-C4' energy: -21.239
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -4.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -134.134417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.134417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.134417 (E_RNA)
where:
Base-Base interactions energy: -71.158
where: short stacking energy: -47.497
Base-Backbone interact. energy: -0.290
local terms energy: -62.686895
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -6.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -105.743689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.743689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.743689 (E_RNA)
where:
Base-Base interactions energy: -36.062
where: short stacking energy: -26.956
Base-Backbone interact. energy: -0.024
local terms energy: -69.657916
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -14.078
tors. eta vs tors. theta energy: -4.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -326.786769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.786769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.786769 (E_RNA)
where:
Base-Base interactions energy: -219.787
where: short stacking energy: -93.294
Base-Backbone interact. energy: -0.146
local terms energy: -106.853467
where:
bonds (distance) C4'-P energy: -22.472
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -20.459
flat angles P-C4'-P energy: -16.356
tors. eta vs tors. theta energy: -24.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -319.627125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.627125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.627125 (E_RNA)
where:
Base-Base interactions energy: -221.454
where: short stacking energy: -95.707
Base-Backbone interact. energy: -0.108
local terms energy: -98.065132
where:
bonds (distance) C4'-P energy: -18.442
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -27.378
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: 2
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -272.564503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.564503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.564503 (E_RNA)
where:
Base-Base interactions energy: -169.519
where: short stacking energy: -77.208
Base-Backbone interact. energy: 1.185
local terms energy: -104.230521
where:
bonds (distance) C4'-P energy: -24.715
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -21.310
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: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -304.276392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.276392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.276392 (E_RNA)
where:
Base-Base interactions energy: -201.204
where: short stacking energy: -87.132
Base-Backbone interact. energy: -0.250
local terms energy: -102.822398
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -20.450
flat angles P-C4'-P energy: -16.036
tors. eta vs tors. theta energy: -32.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -268.234593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.234593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.234593 (E_RNA)
where:
Base-Base interactions energy: -173.395
where: short stacking energy: -76.085
Base-Backbone interact. energy: -0.660
local terms energy: -94.178788
where:
bonds (distance) C4'-P energy: -17.691
bonds (distance) P-C4' energy: -21.887
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -22.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -202.139795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.139795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.139795 (E_RNA)
where:
Base-Base interactions energy: -123.051
where: short stacking energy: -58.407
Base-Backbone interact. energy: -1.401
local terms energy: -77.687101
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -19.736
flat angles P-C4'-P energy: -15.890
tors. eta vs tors. theta energy: -8.967
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: 4
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -228.184529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.184529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.184529 (E_RNA)
where:
Base-Base interactions energy: -141.664
where: short stacking energy: -77.686
Base-Backbone interact. energy: 0.456
local terms energy: -86.975691
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -18.109
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -10.253
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: 8, replica: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -120.527767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.527767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.527767 (E_RNA)
where:
Base-Base interactions energy: -51.759
where: short stacking energy: -50.098
Base-Backbone interact. energy: 2.986
local terms energy: -71.754618
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -7.903
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: 5
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -116.803182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.803182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.803182 (E_RNA)
where:
Base-Base interactions energy: -59.122
where: short stacking energy: -27.476
Base-Backbone interact. energy: -0.143
local terms energy: -57.537714
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: 1.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -100.024416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.024416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.024416 (E_RNA)
where:
Base-Base interactions energy: -41.260
where: short stacking energy: -25.527
Base-Backbone interact. energy: 0.636
local terms energy: -59.400396
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -1.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -327.553605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.553605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.553605 (E_RNA)
where:
Base-Base interactions energy: -222.130
where: short stacking energy: -94.227
Base-Backbone interact. energy: -0.848
local terms energy: -104.575672
where:
bonds (distance) C4'-P energy: -21.483
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -21.605
flat angles P-C4'-P energy: -16.542
tors. eta vs tors. theta energy: -27.530
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: 9
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -322.917528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.917528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.917528 (E_RNA)
where:
Base-Base interactions energy: -223.131
where: short stacking energy: -100.183
Base-Backbone interact. energy: -1.294
local terms energy: -98.492518
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -21.800
flat angles P-C4'-P energy: -19.251
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: 2
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -264.528107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.528107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.528107 (E_RNA)
where:
Base-Base interactions energy: -173.996
where: short stacking energy: -77.462
Base-Backbone interact. energy: 3.203
local terms energy: -93.735712
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -14.172
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: 4, replica: 6
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -274.171773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.171773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.171773 (E_RNA)
where:
Base-Base interactions energy: -182.437
where: short stacking energy: -92.546
Base-Backbone interact. energy: -0.209
local terms energy: -91.526433
where:
bonds (distance) C4'-P energy: -10.739
bonds (distance) P-C4' energy: -19.587
flat angles C4'-P-C4' energy: -22.883
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -27.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -295.855650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.855650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.855650 (E_RNA)
where:
Base-Base interactions energy: -192.697
where: short stacking energy: -88.995
Base-Backbone interact. energy: -0.003
local terms energy: -103.155714
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -24.878
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -29.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -232.328738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.328738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.328738 (E_RNA)
where:
Base-Base interactions energy: -142.985
where: short stacking energy: -74.057
Base-Backbone interact. energy: -0.591
local terms energy: -88.752875
where:
bonds (distance) C4'-P energy: -17.508
bonds (distance) P-C4' energy: -20.076
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -13.574
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: 7, replica: 3
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -209.989014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.989014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.989014 (E_RNA)
where:
Base-Base interactions energy: -142.149
where: short stacking energy: -64.118
Base-Backbone interact. energy: 0.252
local terms energy: -68.091357
where:
bonds (distance) C4'-P energy: -21.374
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -3.392
tors. eta vs tors. theta energy: -11.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -138.243994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.243994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.243994 (E_RNA)
where:
Base-Base interactions energy: -77.052
where: short stacking energy: -30.495
Base-Backbone interact. energy: -1.054
local terms energy: -60.137647
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: 0.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -106.637975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.637975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.637975 (E_RNA)
where:
Base-Base interactions energy: -43.377
where: short stacking energy: -41.873
Base-Backbone interact. energy: 5.857
local terms energy: -69.118611
where:
bonds (distance) C4'-P energy: -22.509
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -18.266
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -3.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -109.294569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.294569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.294569 (E_RNA)
where:
Base-Base interactions energy: -41.117
where: short stacking energy: -32.098
Base-Backbone interact. energy: 0.213
local terms energy: -68.390640
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -12.613
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: 7
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -340.394871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.394871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.394871 (E_RNA)
where:
Base-Base interactions energy: -231.147
where: short stacking energy: -101.300
Base-Backbone interact. energy: 0.265
local terms energy: -109.512311
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -23.941
flat angles C4'-P-C4' energy: -22.859
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -30.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -322.624712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.624712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.624712 (E_RNA)
where:
Base-Base interactions energy: -222.950
where: short stacking energy: -91.184
Base-Backbone interact. energy: -0.098
local terms energy: -99.576462
where:
bonds (distance) C4'-P energy: -21.434
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -22.942
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -25.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -271.251057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.251057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.251057 (E_RNA)
where:
Base-Base interactions energy: -164.239
where: short stacking energy: -87.000
Base-Backbone interact. energy: -0.012
local terms energy: -107.000226
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -20.407
flat angles C4'-P-C4' energy: -22.891
flat angles P-C4'-P energy: -18.758
tors. eta vs tors. theta energy: -27.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -251.324324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.324324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.324324 (E_RNA)
where:
Base-Base interactions energy: -152.786
where: short stacking energy: -73.696
Base-Backbone interact. energy: -0.258
local terms energy: -98.280367
where:
bonds (distance) C4'-P energy: -23.503
bonds (distance) P-C4' energy: -23.544
flat angles C4'-P-C4' energy: -22.837
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -16.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -292.683677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.683677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.683677 (E_RNA)
where:
Base-Base interactions energy: -199.527
where: short stacking energy: -82.949
Base-Backbone interact. energy: 0.404
local terms energy: -93.561165
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -30.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -212.849973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.849973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.849973 (E_RNA)
where:
Base-Base interactions energy: -124.812
where: short stacking energy: -68.311
Base-Backbone interact. energy: -1.030
local terms energy: -87.008365
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -18.261
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -15.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -240.839022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.839022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.839022 (E_RNA)
where:
Base-Base interactions energy: -160.020
where: short stacking energy: -76.609
Base-Backbone interact. energy: -0.067
local terms energy: -80.751885
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -19.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -110.763511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.763511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.763511 (E_RNA)
where:
Base-Base interactions energy: -46.130
where: short stacking energy: -36.178
Base-Backbone interact. energy: 2.725
local terms energy: -67.358665
where:
bonds (distance) C4'-P energy: -16.863
bonds (distance) P-C4' energy: -20.544
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -105.487294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.487294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.487294 (E_RNA)
where:
Base-Base interactions energy: -27.057
where: short stacking energy: -25.951
Base-Backbone interact. energy: 0.208
local terms energy: -78.638185
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -5.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -98.154257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.154257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.154257 (E_RNA)
where:
Base-Base interactions energy: -33.483
where: short stacking energy: -33.483
Base-Backbone interact. energy: -0.084
local terms energy: -64.587042
where:
bonds (distance) C4'-P energy: -21.549
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -2.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -336.520281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.520281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.520281 (E_RNA)
where:
Base-Base interactions energy: -234.455
where: short stacking energy: -102.362
Base-Backbone interact. energy: 0.246
local terms energy: -102.311529
where:
bonds (distance) C4'-P energy: -20.925
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -22.940
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -26.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -323.864033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.864033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.864033 (E_RNA)
where:
Base-Base interactions energy: -223.313
where: short stacking energy: -99.796
Base-Backbone interact. energy: -0.160
local terms energy: -100.390774
where:
bonds (distance) C4'-P energy: -20.419
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -28.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -280.091458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.091458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.091458 (E_RNA)
where:
Base-Base interactions energy: -172.067
where: short stacking energy: -95.174
Base-Backbone interact. energy: -0.012
local terms energy: -108.012073
where:
bonds (distance) C4'-P energy: -21.312
bonds (distance) P-C4' energy: -17.768
flat angles C4'-P-C4' energy: -22.954
flat angles P-C4'-P energy: -15.054
tors. eta vs tors. theta energy: -30.923
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: 1
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -305.727594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.727594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.727594 (E_RNA)
where:
Base-Base interactions energy: -199.255
where: short stacking energy: -85.216
Base-Backbone interact. energy: -0.745
local terms energy: -105.727963
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -19.190
flat angles C4'-P-C4' energy: -22.675
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -28.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -270.185070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.185070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.185070 (E_RNA)
where:
Base-Base interactions energy: -173.799
where: short stacking energy: -72.026
Base-Backbone interact. energy: -0.201
local terms energy: -96.185114
where:
bonds (distance) C4'-P energy: -22.082
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -20.237
flat angles P-C4'-P energy: -14.758
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: 6, replica: 3
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -252.562827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.562827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.562827 (E_RNA)
where:
Base-Base interactions energy: -172.843
where: short stacking energy: -82.357
Base-Backbone interact. energy: 0.498
local terms energy: -80.218065
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -17.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -236.541264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.541264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.541264 (E_RNA)
where:
Base-Base interactions energy: -148.984
where: short stacking energy: -70.617
Base-Backbone interact. energy: 0.125
local terms energy: -87.682412
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -20.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -105.323833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.323833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.323833 (E_RNA)
where:
Base-Base interactions energy: -44.043
where: short stacking energy: -40.960
Base-Backbone interact. energy: 1.393
local terms energy: -62.674092
where:
bonds (distance) C4'-P energy: -22.849
bonds (distance) P-C4' energy: -19.665
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -6.247
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: 9, replica: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -105.571294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.571294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.571294 (E_RNA)
where:
Base-Base interactions energy: -34.577
where: short stacking energy: -29.943
Base-Backbone interact. energy: -0.109
local terms energy: -70.884590
where:
bonds (distance) C4'-P energy: -22.407
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -4.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -97.628003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.628003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.628003 (E_RNA)
where:
Base-Base interactions energy: -36.876
where: short stacking energy: -35.188
Base-Backbone interact. energy: -0.174
local terms energy: -60.578125
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -17.755
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -328.610899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.610899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.610899 (E_RNA)
where:
Base-Base interactions energy: -225.631
where: short stacking energy: -94.829
Base-Backbone interact. energy: -0.208
local terms energy: -102.772413
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -23.752
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -28.879
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: 2, replica: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -324.788356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.788356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.788356 (E_RNA)
where:
Base-Base interactions energy: -221.529
where: short stacking energy: -108.064
Base-Backbone interact. energy: 0.453
local terms energy: -103.711643
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -20.823
flat angles C4'-P-C4' energy: -22.492
flat angles P-C4'-P energy: -14.652
tors. eta vs tors. theta energy: -27.556
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: 1
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -308.467229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.467229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.467229 (E_RNA)
where:
Base-Base interactions energy: -206.878
where: short stacking energy: -89.594
Base-Backbone interact. energy: -0.547
local terms energy: -101.042541
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -23.712
flat angles C4'-P-C4' energy: -21.443
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -28.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -260.417598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.417598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.417598 (E_RNA)
where:
Base-Base interactions energy: -159.780
where: short stacking energy: -76.426
Base-Backbone interact. energy: -0.073
local terms energy: -100.563897
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -22.451
flat angles C4'-P-C4' energy: -21.286
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: -25.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -263.293941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.293941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.293941 (E_RNA)
where:
Base-Base interactions energy: -168.510
where: short stacking energy: -66.847
Base-Backbone interact. energy: -0.278
local terms energy: -94.506157
where:
bonds (distance) C4'-P energy: -20.787
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -17.906
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: 6, replica: 3
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -239.274842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.274842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.274842 (E_RNA)
where:
Base-Base interactions energy: -162.122
where: short stacking energy: -66.593
Base-Backbone interact. energy: -0.169
local terms energy: -76.983612
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -22.209
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -15.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -234.827802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.827802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.827802 (E_RNA)
where:
Base-Base interactions energy: -152.067
where: short stacking energy: -72.354
Base-Backbone interact. energy: -0.815
local terms energy: -81.946577
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -17.359
flat angles C4'-P-C4' energy: -20.859
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -23.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -109.640673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.640673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.640673 (E_RNA)
where:
Base-Base interactions energy: -40.755
where: short stacking energy: -41.917
Base-Backbone interact. energy: -0.151
local terms energy: -68.734597
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -2.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -106.683778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.683778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.683778 (E_RNA)
where:
Base-Base interactions energy: -38.311
where: short stacking energy: -36.394
Base-Backbone interact. energy: -0.262
local terms energy: -68.110529
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -4.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -93.515932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.515932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.515932 (E_RNA)
where:
Base-Base interactions energy: -39.481
where: short stacking energy: -24.764
Base-Backbone interact. energy: -0.310
local terms energy: -53.725155
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -17.937
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -15.567
tors. eta vs tors. theta energy: 3.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -332.022685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.022685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.022685 (E_RNA)
where:
Base-Base interactions energy: -226.727
where: short stacking energy: -97.018
Base-Backbone interact. energy: -1.208
local terms energy: -104.088058
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -20.839
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: -26.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -318.027969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.027969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.027969 (E_RNA)
where:
Base-Base interactions energy: -214.037
where: short stacking energy: -91.086
Base-Backbone interact. energy: -0.592
local terms energy: -103.398689
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -22.592
flat angles C4'-P-C4' energy: -20.345
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -28.133
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: 7
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -320.669066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.669066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.669066 (E_RNA)
where:
Base-Base interactions energy: -212.859
where: short stacking energy: -89.656
Base-Backbone interact. energy: -0.843
local terms energy: -106.966650
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -19.900
flat angles C4'-P-C4' energy: -24.659
flat angles P-C4'-P energy: -18.347
tors. eta vs tors. theta energy: -26.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -281.696343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.696343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.696343 (E_RNA)
where:
Base-Base interactions energy: -181.559
where: short stacking energy: -79.458
Base-Backbone interact. energy: -1.497
local terms energy: -98.640842
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -21.998
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -22.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -257.680321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.680321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.680321 (E_RNA)
where:
Base-Base interactions energy: -161.131
where: short stacking energy: -90.984
Base-Backbone interact. energy: 0.195
local terms energy: -96.744491
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -21.313
flat angles C4'-P-C4' energy: -21.029
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -27.731
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: 4
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -230.238180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.238180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.238180 (E_RNA)
where:
Base-Base interactions energy: -148.924
where: short stacking energy: -72.580
Base-Backbone interact. energy: -0.345
local terms energy: -80.968422
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -21.701
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -21.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -234.038875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.038875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.038875 (E_RNA)
where:
Base-Base interactions energy: -162.349
where: short stacking energy: -73.799
Base-Backbone interact. energy: -0.632
local terms energy: -71.057470
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -11.799
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: 8, replica: 5
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -120.077884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.077884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.077884 (E_RNA)
where:
Base-Base interactions energy: -48.255
where: short stacking energy: -46.397
Base-Backbone interact. energy: 0.812
local terms energy: -72.634303
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -6.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -98.200875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.200875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.200875 (E_RNA)
where:
Base-Base interactions energy: -41.924
where: short stacking energy: -31.644
Base-Backbone interact. energy: -0.498
local terms energy: -55.778662
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -14.981
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -9.490
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: 10, replica: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -121.410637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.410637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.410637 (E_RNA)
where:
Base-Base interactions energy: -55.321
where: short stacking energy: -30.082
Base-Backbone interact. energy: 0.159
local terms energy: -66.248867
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -21.273
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -333.509965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.509965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.509965 (E_RNA)
where:
Base-Base interactions energy: -226.554
where: short stacking energy: -100.263
Base-Backbone interact. energy: -0.220
local terms energy: -106.736588
where:
bonds (distance) C4'-P energy: -19.215
bonds (distance) P-C4' energy: -24.655
flat angles C4'-P-C4' energy: -20.390
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -29.055
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: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -297.496995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.496995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.496995 (E_RNA)
where:
Base-Base interactions energy: -193.676
where: short stacking energy: -84.370
Base-Backbone interact. energy: 0.088
local terms energy: -103.909129
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -22.648
flat angles P-C4'-P energy: -17.905
tors. eta vs tors. theta energy: -26.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -319.960711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.960711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.960711 (E_RNA)
where:
Base-Base interactions energy: -216.792
where: short stacking energy: -95.555
Base-Backbone interact. energy: -1.209
local terms energy: -101.958985
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -23.008
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: -24.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -259.710406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.710406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.710406 (E_RNA)
where:
Base-Base interactions energy: -171.337
where: short stacking energy: -66.985
Base-Backbone interact. energy: -0.579
local terms energy: -87.794504
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -20.119
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -19.658
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: 4
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -246.097538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.097538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.097538 (E_RNA)
where:
Base-Base interactions energy: -155.328
where: short stacking energy: -73.734
Base-Backbone interact. energy: -0.490
local terms energy: -90.279278
where:
bonds (distance) C4'-P energy: -20.847
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -20.713
flat angles P-C4'-P energy: -11.820
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: 6, replica: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -254.979118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.979118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.979118 (E_RNA)
where:
Base-Base interactions energy: -157.277
where: short stacking energy: -71.489
Base-Backbone interact. energy: -0.082
local terms energy: -97.620785
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -23.580
flat angles C4'-P-C4' energy: -21.019
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -29.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -235.936349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.936349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.936349 (E_RNA)
where:
Base-Base interactions energy: -151.349
where: short stacking energy: -72.036
Base-Backbone interact. energy: -0.380
local terms energy: -84.207799
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -22.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -105.183046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.183046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.183046 (E_RNA)
where:
Base-Base interactions energy: -36.231
where: short stacking energy: -27.292
Base-Backbone interact. energy: -0.719
local terms energy: -68.233142
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -23.522
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: 1.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -111.118588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.118588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.118588 (E_RNA)
where:
Base-Base interactions energy: -42.280
where: short stacking energy: -31.093
Base-Backbone interact. energy: -1.909
local terms energy: -66.930135
where:
bonds (distance) C4'-P energy: -8.086
bonds (distance) P-C4' energy: -18.301
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -11.660
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: 10, replica: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -105.576909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.576909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.576909 (E_RNA)
where:
Base-Base interactions energy: -46.408
where: short stacking energy: -33.402
Base-Backbone interact. energy: -0.409
local terms energy: -58.759941
where:
bonds (distance) C4'-P energy: -18.920
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -1.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -327.526356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.526356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.526356 (E_RNA)
where:
Base-Base interactions energy: -221.039
where: short stacking energy: -95.229
Base-Backbone interact. energy: 0.178
local terms energy: -106.664729
where:
bonds (distance) C4'-P energy: -22.477
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -23.826
flat angles P-C4'-P energy: -15.749
tors. eta vs tors. theta energy: -24.180
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: 2, replica: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -332.113441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.113441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.113441 (E_RNA)
where:
Base-Base interactions energy: -226.073
where: short stacking energy: -100.393
Base-Backbone interact. energy: -0.109
local terms energy: -105.932034
where:
bonds (distance) C4'-P energy: -22.733
bonds (distance) P-C4' energy: -22.004
flat angles C4'-P-C4' energy: -20.332
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -29.451
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: 3, replica: 1
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -285.094999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.094999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.094999 (E_RNA)
where:
Base-Base interactions energy: -188.789
where: short stacking energy: -70.933
Base-Backbone interact. energy: -0.394
local terms energy: -95.912078
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -18.558
flat angles C4'-P-C4' energy: -19.199
flat angles P-C4'-P energy: -14.945
tors. eta vs tors. theta energy: -23.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -268.846340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.846340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.846340 (E_RNA)
where:
Base-Base interactions energy: -179.553
where: short stacking energy: -86.748
Base-Backbone interact. energy: 0.324
local terms energy: -89.617337
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -20.886
flat angles C4'-P-C4' energy: -20.853
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -22.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -263.391309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.391309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.391309 (E_RNA)
where:
Base-Base interactions energy: -172.012
where: short stacking energy: -82.014
Base-Backbone interact. energy: -0.197
local terms energy: -91.182652
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -21.871
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -25.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -252.530642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.530642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.530642 (E_RNA)
where:
Base-Base interactions energy: -169.283
where: short stacking energy: -85.328
Base-Backbone interact. energy: -0.085
local terms energy: -83.162984
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -21.384
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: 3
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -220.468760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.468760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.468760 (E_RNA)
where:
Base-Base interactions energy: -137.958
where: short stacking energy: -63.527
Base-Backbone interact. energy: -0.178
local terms energy: -82.333193
where:
bonds (distance) C4'-P energy: -20.030
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -13.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -104.980434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.980434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.980434 (E_RNA)
where:
Base-Base interactions energy: -48.505
where: short stacking energy: -46.984
Base-Backbone interact. energy: -0.147
local terms energy: -56.328335
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -5.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -114.249809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.249809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.249809 (E_RNA)
where:
Base-Base interactions energy: -41.646
where: short stacking energy: -25.807
Base-Backbone interact. energy: -0.284
local terms energy: -72.319758
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -4.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -109.348544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.348544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.348544 (E_RNA)
where:
Base-Base interactions energy: -46.322
where: short stacking energy: -46.322
Base-Backbone interact. energy: 0.433
local terms energy: -63.459683
where:
bonds (distance) C4'-P energy: -10.574
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -18.832
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -2.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -332.068098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.068098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.068098 (E_RNA)
where:
Base-Base interactions energy: -226.182
where: short stacking energy: -91.761
Base-Backbone interact. energy: 0.629
local terms energy: -106.514589
where:
bonds (distance) C4'-P energy: -23.635
bonds (distance) P-C4' energy: -21.233
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -17.694
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: 9
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -329.983678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.983678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.983678 (E_RNA)
where:
Base-Base interactions energy: -223.630
where: short stacking energy: -101.265
Base-Backbone interact. energy: 0.135
local terms energy: -106.488173
where:
bonds (distance) C4'-P energy: -20.518
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -21.036
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -27.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -307.769223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.769223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.769223 (E_RNA)
where:
Base-Base interactions energy: -211.666
where: short stacking energy: -86.271
Base-Backbone interact. energy: -0.037
local terms energy: -96.066728
where:
bonds (distance) C4'-P energy: -20.641
bonds (distance) P-C4' energy: -20.906
flat angles C4'-P-C4' energy: -19.419
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -26.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -273.601160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.601160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.601160 (E_RNA)
where:
Base-Base interactions energy: -181.044
where: short stacking energy: -88.657
Base-Backbone interact. energy: -0.020
local terms energy: -92.537536
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -22.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -263.689770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.689770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.689770 (E_RNA)
where:
Base-Base interactions energy: -169.820
where: short stacking energy: -84.907
Base-Backbone interact. energy: -0.043
local terms energy: -93.826608
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -16.304
tors. eta vs tors. theta energy: -26.739
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: 6, replica: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -272.302419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.302419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.302419 (E_RNA)
where:
Base-Base interactions energy: -180.717
where: short stacking energy: -69.475
Base-Backbone interact. energy: -0.203
local terms energy: -91.382594
where:
bonds (distance) C4'-P energy: -20.665
bonds (distance) P-C4' energy: -20.922
flat angles C4'-P-C4' energy: -22.770
flat angles P-C4'-P energy: -6.121
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: 7, replica: 3
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -237.545737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.545737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.545737 (E_RNA)
where:
Base-Base interactions energy: -169.653
where: short stacking energy: -62.848
Base-Backbone interact. energy: -0.237
local terms energy: -67.655300
where:
bonds (distance) C4'-P energy: -8.617
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -18.257
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -12.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -110.552353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.552353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.552353 (E_RNA)
where:
Base-Base interactions energy: -47.929
where: short stacking energy: -47.929
Base-Backbone interact. energy: -0.064
local terms energy: -62.559532
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -17.913
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -5.523
tors. eta vs tors. theta energy: -5.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -99.775693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.775693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.775693 (E_RNA)
where:
Base-Base interactions energy: -33.289
where: short stacking energy: -33.227
Base-Backbone interact. energy: -0.227
local terms energy: -66.259499
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -4.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -93.941195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.941195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.941195 (E_RNA)
where:
Base-Base interactions energy: -31.502
where: short stacking energy: -26.870
Base-Backbone interact. energy: -0.273
local terms energy: -62.165781
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -2.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -327.344352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.344352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.344352 (E_RNA)
where:
Base-Base interactions energy: -225.772
where: short stacking energy: -91.555
Base-Backbone interact. energy: 0.244
local terms energy: -101.816712
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -22.504
flat angles C4'-P-C4' energy: -22.627
flat angles P-C4'-P energy: -15.649
tors. eta vs tors. theta energy: -24.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -331.259034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.259034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.259034 (E_RNA)
where:
Base-Base interactions energy: -222.538
where: short stacking energy: -101.117
Base-Backbone interact. energy: -0.134
local terms energy: -108.586996
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -22.795
flat angles P-C4'-P energy: -15.031
tors. eta vs tors. theta energy: -26.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -302.148935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.148935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.148935 (E_RNA)
where:
Base-Base interactions energy: -208.164
where: short stacking energy: -84.513
Base-Backbone interact. energy: 0.768
local terms energy: -94.752325
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -30.085
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: 77
Temperature: 1.050000
Total energy: -265.097371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.097371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.097371 (E_RNA)
where:
Base-Base interactions energy: -168.963
where: short stacking energy: -85.719
Base-Backbone interact. energy: -0.153
local terms energy: -95.981321
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -24.439
flat angles C4'-P-C4' energy: -23.194
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -21.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -259.973759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.973759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.973759 (E_RNA)
where:
Base-Base interactions energy: -169.136
where: short stacking energy: -69.597
Base-Backbone interact. energy: -0.121
local terms energy: -90.716952
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -20.748
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -16.753
tors. eta vs tors. theta energy: -18.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -273.501724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.501724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.501724 (E_RNA)
where:
Base-Base interactions energy: -183.249
where: short stacking energy: -85.419
Base-Backbone interact. energy: -0.228
local terms energy: -90.023969
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -15.624
tors. eta vs tors. theta energy: -22.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -250.746844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.746844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.746844 (E_RNA)
where:
Base-Base interactions energy: -160.900
where: short stacking energy: -71.178
Base-Backbone interact. energy: -0.244
local terms energy: -89.602458
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -25.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -108.281256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.281256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.281256 (E_RNA)
where:
Base-Base interactions energy: -42.536
where: short stacking energy: -37.972
Base-Backbone interact. energy: 0.379
local terms energy: -66.124325
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -4.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -101.635002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.635002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.635002 (E_RNA)
where:
Base-Base interactions energy: -42.630
where: short stacking energy: -42.630
Base-Backbone interact. energy: -0.458
local terms energy: -58.546988
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -3.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -99.608929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.608929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.608929 (E_RNA)
where:
Base-Base interactions energy: -34.447
where: short stacking energy: -30.411
Base-Backbone interact. energy: -0.254
local terms energy: -64.907845
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -13.419
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: 9
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -333.049808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.049808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.049808 (E_RNA)
where:
Base-Base interactions energy: -222.417
where: short stacking energy: -98.009
Base-Backbone interact. energy: -0.889
local terms energy: -109.744205
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -20.969
flat angles P-C4'-P energy: -18.811
tors. eta vs tors. theta energy: -28.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -332.263805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.263805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.263805 (E_RNA)
where:
Base-Base interactions energy: -221.898
where: short stacking energy: -100.017
Base-Backbone interact. energy: 0.303
local terms energy: -110.667947
where:
bonds (distance) C4'-P energy: -23.408
bonds (distance) P-C4' energy: -20.338
flat angles C4'-P-C4' energy: -22.921
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: -29.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -299.466304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.466304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.466304 (E_RNA)
where:
Base-Base interactions energy: -205.491
where: short stacking energy: -90.596
Base-Backbone interact. energy: -0.869
local terms energy: -93.107254
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -21.633
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -26.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -259.259755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.259755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.259755 (E_RNA)
where:
Base-Base interactions energy: -168.407
where: short stacking energy: -77.116
Base-Backbone interact. energy: -0.026
local terms energy: -90.827450
where:
bonds (distance) C4'-P energy: -19.562
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -21.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -281.792174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.792174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.792174 (E_RNA)
where:
Base-Base interactions energy: -199.853
where: short stacking energy: -88.672
Base-Backbone interact. energy: -0.372
local terms energy: -81.566888
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -12.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -250.871318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.871318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.871318 (E_RNA)
where:
Base-Base interactions energy: -157.867
where: short stacking energy: -80.067
Base-Backbone interact. energy: -0.544
local terms energy: -92.459920
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -24.706
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: 3
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -279.970581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.970581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.970581 (E_RNA)
where:
Base-Base interactions energy: -181.932
where: short stacking energy: -75.899
Base-Backbone interact. energy: -0.001
local terms energy: -98.036816
where:
bonds (distance) C4'-P energy: -22.991
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -21.342
flat angles P-C4'-P energy: -15.471
tors. eta vs tors. theta energy: -19.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -148.404247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.404247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.404247 (E_RNA)
where:
Base-Base interactions energy: -77.160
where: short stacking energy: -45.283
Base-Backbone interact. energy: -0.406
local terms energy: -70.837521
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -6.421
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: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -151.706269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.706269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.706269 (E_RNA)
where:
Base-Base interactions energy: -85.645
where: short stacking energy: -51.392
Base-Backbone interact. energy: -0.257
local terms energy: -65.804755
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -19.514
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -7.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -101.189482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.189482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.189482 (E_RNA)
where:
Base-Base interactions energy: -34.748
where: short stacking energy: -30.089
Base-Backbone interact. energy: -0.050
local terms energy: -66.391218
where:
bonds (distance) C4'-P energy: -21.635
bonds (distance) P-C4' energy: -20.747
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: 0.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -338.358965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.358965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.358965 (E_RNA)
where:
Base-Base interactions energy: -233.830
where: short stacking energy: -96.453
Base-Backbone interact. energy: 0.397
local terms energy: -104.926144
where:
bonds (distance) C4'-P energy: -20.208
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -23.029
flat angles P-C4'-P energy: -16.806
tors. eta vs tors. theta energy: -27.268
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: 7
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -319.118173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.118173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.118173 (E_RNA)
where:
Base-Base interactions energy: -227.526
where: short stacking energy: -76.355
Base-Backbone interact. energy: -0.393
local terms energy: -91.199311
where:
bonds (distance) C4'-P energy: -22.687
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -18.604
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: -16.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -287.681146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.681146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.681146 (E_RNA)
where:
Base-Base interactions energy: -196.176
where: short stacking energy: -80.799
Base-Backbone interact. energy: -1.413
local terms energy: -90.092283
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -22.529
flat angles C4'-P-C4' energy: -18.655
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -21.161
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: 2
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -269.327116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.327116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.327116 (E_RNA)
where:
Base-Base interactions energy: -186.221
where: short stacking energy: -71.189
Base-Backbone interact. energy: -0.358
local terms energy: -82.747514
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -19.635
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -19.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -262.014426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.014426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.014426 (E_RNA)
where:
Base-Base interactions energy: -164.512
where: short stacking energy: -79.792
Base-Backbone interact. energy: -0.242
local terms energy: -97.260380
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -20.692
flat angles P-C4'-P energy: -18.287
tors. eta vs tors. theta energy: -21.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -274.820618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.820618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.820618 (E_RNA)
where:
Base-Base interactions energy: -183.754
where: short stacking energy: -77.860
Base-Backbone interact. energy: -0.105
local terms energy: -90.961694
where:
bonds (distance) C4'-P energy: -21.694
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -21.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -241.280551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.280551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.280551 (E_RNA)
where:
Base-Base interactions energy: -153.635
where: short stacking energy: -70.099
Base-Backbone interact. energy: 0.843
local terms energy: -88.488016
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -20.974
flat angles P-C4'-P energy: -9.266
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: 8, replica: 5
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -155.775379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.775379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.775379 (E_RNA)
where:
Base-Base interactions energy: -87.076
where: short stacking energy: -51.776
Base-Backbone interact. energy: 3.178
local terms energy: -71.877132
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -22.207
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: -9.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -146.965405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.965405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.965405 (E_RNA)
where:
Base-Base interactions energy: -76.398
where: short stacking energy: -31.615
Base-Backbone interact. energy: -0.242
local terms energy: -70.325267
where:
bonds (distance) C4'-P energy: -19.227
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -5.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -130.006408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.006408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.006408 (E_RNA)
where:
Base-Base interactions energy: -67.958
where: short stacking energy: -39.086
Base-Backbone interact. energy: -0.387
local terms energy: -61.661263
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -319.699319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.699319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.699319 (E_RNA)
where:
Base-Base interactions energy: -213.602
where: short stacking energy: -90.170
Base-Backbone interact. energy: -0.815
local terms energy: -105.282510
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -19.943
flat angles P-C4'-P energy: -16.933
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: 2, replica: 7
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -315.135130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.135130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.135130 (E_RNA)
where:
Base-Base interactions energy: -215.512
where: short stacking energy: -95.184
Base-Backbone interact. energy: -0.879
local terms energy: -98.743873
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -22.561
flat angles C4'-P-C4' energy: -20.243
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -30.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -274.550071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.550071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.550071 (E_RNA)
where:
Base-Base interactions energy: -189.958
where: short stacking energy: -69.657
Base-Backbone interact. energy: -1.069
local terms energy: -83.523148
where:
bonds (distance) C4'-P energy: -18.507
bonds (distance) P-C4' energy: -18.366
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -15.446
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: 4, replica: 1
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -298.372015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.372015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.372015 (E_RNA)
where:
Base-Base interactions energy: -190.513
where: short stacking energy: -79.633
Base-Backbone interact. energy: -0.004
local terms energy: -107.855487
where:
bonds (distance) C4'-P energy: -19.809
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -24.837
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -25.962
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: 80
Temperature: 1.100000
Total energy: -275.792936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.792936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.792936 (E_RNA)
where:
Base-Base interactions energy: -180.707
where: short stacking energy: -67.372
Base-Backbone interact. energy: -0.821
local terms energy: -94.265036
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -22.979
flat angles C4'-P-C4' energy: -22.396
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -19.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -255.375343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.375343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.375343 (E_RNA)
where:
Base-Base interactions energy: -161.616
where: short stacking energy: -77.359
Base-Backbone interact. energy: -0.144
local terms energy: -93.615507
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -22.675
flat angles C4'-P-C4' energy: -21.765
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -22.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -161.679132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.679132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.679132 (E_RNA)
where:
Base-Base interactions energy: -90.253
where: short stacking energy: -47.205
Base-Backbone interact. energy: -0.276
local terms energy: -71.149804
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -8.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -169.461791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.461791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.461791 (E_RNA)
where:
Base-Base interactions energy: -91.076
where: short stacking energy: -56.436
Base-Backbone interact. energy: -0.111
local terms energy: -78.274192
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -22.823
flat angles P-C4'-P energy: -5.165
tors. eta vs tors. theta energy: -9.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -159.527899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.527899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.527899 (E_RNA)
where:
Base-Base interactions energy: -89.029
where: short stacking energy: -46.990
Base-Backbone interact. energy: -0.132
local terms energy: -70.367262
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -19.423
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -1.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -96.522638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.522638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.522638 (E_RNA)
where:
Base-Base interactions energy: -39.303
where: short stacking energy: -19.513
Base-Backbone interact. energy: -0.995
local terms energy: -56.224818
where:
bonds (distance) C4'-P energy: -20.175
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: 0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -328.475251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.475251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.475251 (E_RNA)
where:
Base-Base interactions energy: -218.549
where: short stacking energy: -96.143
Base-Backbone interact. energy: -0.122
local terms energy: -109.804631
where:
bonds (distance) C4'-P energy: -21.112
bonds (distance) P-C4' energy: -19.963
flat angles C4'-P-C4' energy: -23.648
flat angles P-C4'-P energy: -17.000
tors. eta vs tors. theta energy: -28.083
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: 81
Temperature: 0.950000
Total energy: -319.548709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.548709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.548709 (E_RNA)
where:
Base-Base interactions energy: -214.214
where: short stacking energy: -91.837
Base-Backbone interact. energy: -0.044
local terms energy: -105.291129
where:
bonds (distance) C4'-P energy: -20.998
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -26.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -282.727928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.727928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.727928 (E_RNA)
where:
Base-Base interactions energy: -200.159
where: short stacking energy: -77.887
Base-Backbone interact. energy: -0.251
local terms energy: -82.317170
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -17.826
flat angles C4'-P-C4' energy: -21.868
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -18.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -303.754815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.754815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.754815 (E_RNA)
where:
Base-Base interactions energy: -199.539
where: short stacking energy: -82.179
Base-Backbone interact. energy: -0.800
local terms energy: -103.416581
where:
bonds (distance) C4'-P energy: -22.317
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -30.157
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: 81
Temperature: 1.100000
Total energy: -268.049519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.049519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.049519 (E_RNA)
where:
Base-Base interactions energy: -175.591
where: short stacking energy: -73.049
Base-Backbone interact. energy: -0.019
local terms energy: -92.438648
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -21.763
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -22.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -245.066486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.066486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.066486 (E_RNA)
where:
Base-Base interactions energy: -154.327
where: short stacking energy: -79.759
Base-Backbone interact. energy: 0.487
local terms energy: -91.225968
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -17.959
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -24.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -129.024749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.024749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.024749 (E_RNA)
where:
Base-Base interactions energy: -62.931
where: short stacking energy: -48.898
Base-Backbone interact. energy: 1.369
local terms energy: -67.463384
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -5.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -146.687416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.687416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.687416 (E_RNA)
where:
Base-Base interactions energy: -85.991
where: short stacking energy: -46.019
Base-Backbone interact. energy: -0.489
local terms energy: -60.207823
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -23.888
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: 0.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -136.650313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.650313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.650313 (E_RNA)
where:
Base-Base interactions energy: -70.958
where: short stacking energy: -38.624
Base-Backbone interact. energy: -0.171
local terms energy: -65.521480
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -4.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -99.878127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.878127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.878127 (E_RNA)
where:
Base-Base interactions energy: -34.400
where: short stacking energy: -30.670
Base-Backbone interact. energy: -0.276
local terms energy: -65.202101
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -20.219
flat angles C4'-P-C4' energy: -18.811
flat angles P-C4'-P energy: -5.560
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: 1, replica: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -327.210510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.210510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.210510 (E_RNA)
where:
Base-Base interactions energy: -228.968
where: short stacking energy: -103.829
Base-Backbone interact. energy: -0.127
local terms energy: -98.115322
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -23.737
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -28.802
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: 9
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -319.414507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.414507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.414507 (E_RNA)
where:
Base-Base interactions energy: -213.263
where: short stacking energy: -84.108
Base-Backbone interact. energy: -0.021
local terms energy: -106.130860
where:
bonds (distance) C4'-P energy: -21.359
bonds (distance) P-C4' energy: -22.118
flat angles C4'-P-C4' energy: -21.531
flat angles P-C4'-P energy: -18.161
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: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -307.625369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.625369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.625369 (E_RNA)
where:
Base-Base interactions energy: -204.821
where: short stacking energy: -87.598
Base-Backbone interact. energy: -0.005
local terms energy: -102.799166
where:
bonds (distance) C4'-P energy: -20.991
bonds (distance) P-C4' energy: -20.769
flat angles C4'-P-C4' energy: -22.224
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -25.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -270.757247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.757247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.757247 (E_RNA)
where:
Base-Base interactions energy: -183.222
where: short stacking energy: -60.150
Base-Backbone interact. energy: -1.151
local terms energy: -86.384008
where:
bonds (distance) C4'-P energy: -19.185
bonds (distance) P-C4' energy: -21.996
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -11.560
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: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -254.848065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.848065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.848065 (E_RNA)
where:
Base-Base interactions energy: -162.296
where: short stacking energy: -72.380
Base-Backbone interact. energy: -1.539
local terms energy: -91.013238
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -17.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -211.700300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.700300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.700300 (E_RNA)
where:
Base-Base interactions energy: -122.999
where: short stacking energy: -58.863
Base-Backbone interact. energy: -0.141
local terms energy: -88.559919
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -23.769
flat angles C4'-P-C4' energy: -20.671
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -12.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -182.502996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.502996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.502996 (E_RNA)
where:
Base-Base interactions energy: -119.990
where: short stacking energy: -55.774
Base-Backbone interact. energy: -0.819
local terms energy: -61.694350
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -8.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -115.913730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.913730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.913730 (E_RNA)
where:
Base-Base interactions energy: -44.150
where: short stacking energy: -44.150
Base-Backbone interact. energy: -0.663
local terms energy: -71.100510
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -6.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -109.329741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.329741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.329741 (E_RNA)
where:
Base-Base interactions energy: -42.759
where: short stacking energy: -37.853
Base-Backbone interact. energy: -0.197
local terms energy: -66.374396
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -20.551
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -14.794
tors. eta vs tors. theta energy: 4.349
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: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -96.236695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.236695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.236695 (E_RNA)
where:
Base-Base interactions energy: -37.498
where: short stacking energy: -34.719
Base-Backbone interact. energy: -1.222
local terms energy: -57.515970
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -1.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -330.570524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.570524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.570524 (E_RNA)
where:
Base-Base interactions energy: -222.278
where: short stacking energy: -89.934
Base-Backbone interact. energy: 0.212
local terms energy: -108.504304
where:
bonds (distance) C4'-P energy: -23.126
bonds (distance) P-C4' energy: -22.952
flat angles C4'-P-C4' energy: -20.999
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -26.757
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: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -303.296219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.296219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.296219 (E_RNA)
where:
Base-Base interactions energy: -209.676
where: short stacking energy: -87.257
Base-Backbone interact. energy: -0.003
local terms energy: -93.617818
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -13.128
tors. eta vs tors. theta energy: -29.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -321.132983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.132983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.132983 (E_RNA)
where:
Base-Base interactions energy: -220.819
where: short stacking energy: -98.815
Base-Backbone interact. energy: -0.090
local terms energy: -100.223677
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -18.131
flat angles C4'-P-C4' energy: -22.313
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -26.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -277.065990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.065990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.065990 (E_RNA)
where:
Base-Base interactions energy: -178.750
where: short stacking energy: -78.366
Base-Backbone interact. energy: -0.230
local terms energy: -98.086192
where:
bonds (distance) C4'-P energy: -22.153
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -22.630
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -21.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -258.883015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.883015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.883015 (E_RNA)
where:
Base-Base interactions energy: -177.305
where: short stacking energy: -68.157
Base-Backbone interact. energy: -0.079
local terms energy: -81.499224
where:
bonds (distance) C4'-P energy: -20.386
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -19.817
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -16.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -218.534302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.534302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.534302 (E_RNA)
where:
Base-Base interactions energy: -132.378
where: short stacking energy: -71.138
Base-Backbone interact. energy: -0.396
local terms energy: -85.760383
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -12.541
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: 7, replica: 8
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -160.594972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.594972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.594972 (E_RNA)
where:
Base-Base interactions energy: -84.343
where: short stacking energy: -50.131
Base-Backbone interact. energy: -0.114
local terms energy: -76.137956
where:
bonds (distance) C4'-P energy: -21.007
bonds (distance) P-C4' energy: -24.297
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -8.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -125.224396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.224396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.224396 (E_RNA)
where:
Base-Base interactions energy: -56.943
where: short stacking energy: -51.504
Base-Backbone interact. energy: -0.529
local terms energy: -67.753330
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -15.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -123.355065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.355065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.355065 (E_RNA)
where:
Base-Base interactions energy: -60.851
where: short stacking energy: -41.833
Base-Backbone interact. energy: -0.098
local terms energy: -62.405600
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -6.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -96.932500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.932500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.932500 (E_RNA)
where:
Base-Base interactions energy: -41.466
where: short stacking energy: -17.134
Base-Backbone interact. energy: -0.666
local terms energy: -54.800187
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: 4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -320.812277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.812277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.812277 (E_RNA)
where:
Base-Base interactions energy: -215.389
where: short stacking energy: -90.735
Base-Backbone interact. energy: -0.023
local terms energy: -105.399364
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -23.709
flat angles C4'-P-C4' energy: -21.120
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -31.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -325.895590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.895590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.895590 (E_RNA)
where:
Base-Base interactions energy: -223.912
where: short stacking energy: -95.506
Base-Backbone interact. energy: -0.201
local terms energy: -101.782633
where:
bonds (distance) C4'-P energy: -21.963
bonds (distance) P-C4' energy: -22.930
flat angles C4'-P-C4' energy: -20.486
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -26.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -323.245852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.245852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.245852 (E_RNA)
where:
Base-Base interactions energy: -219.544
where: short stacking energy: -93.308
Base-Backbone interact. energy: -0.096
local terms energy: -103.605676
where:
bonds (distance) C4'-P energy: -22.012
bonds (distance) P-C4' energy: -20.914
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -28.039
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: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -283.344626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.344626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.344626 (E_RNA)
where:
Base-Base interactions energy: -193.109
where: short stacking energy: -80.552
Base-Backbone interact. energy: -0.084
local terms energy: -90.151488
where:
bonds (distance) C4'-P energy: -20.720
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -19.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -264.683075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.683075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.683075 (E_RNA)
where:
Base-Base interactions energy: -174.234
where: short stacking energy: -84.976
Base-Backbone interact. energy: -0.450
local terms energy: -89.999003
where:
bonds (distance) C4'-P energy: -20.257
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -19.926
flat angles P-C4'-P energy: -14.850
tors. eta vs tors. theta energy: -23.853
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: 6
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -180.918683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.918683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.918683 (E_RNA)
where:
Base-Base interactions energy: -110.549
where: short stacking energy: -53.519
Base-Backbone interact. energy: -0.392
local terms energy: -69.977133
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -10.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -125.446165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.446165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.446165 (E_RNA)
where:
Base-Base interactions energy: -55.595
where: short stacking energy: -44.098
Base-Backbone interact. energy: -0.344
local terms energy: -69.507746
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -4.328
tors. eta vs tors. theta energy: -9.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -128.865648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.865648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.865648 (E_RNA)
where:
Base-Base interactions energy: -61.601
where: short stacking energy: -27.534
Base-Backbone interact. energy: 0.258
local terms energy: -67.522337
where:
bonds (distance) C4'-P energy: -21.194
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -14.440
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: 9, replica: 10
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -110.295820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.295820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.295820 (E_RNA)
where:
Base-Base interactions energy: -52.985
where: short stacking energy: -37.095
Base-Backbone interact. energy: -0.189
local terms energy: -57.121613
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -10.098
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -3.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -97.283560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.283560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.283560 (E_RNA)
where:
Base-Base interactions energy: -39.489
where: short stacking energy: -36.215
Base-Backbone interact. energy: 0.731
local terms energy: -58.525684
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -315.813900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.813900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.813900 (E_RNA)
where:
Base-Base interactions energy: -208.909
where: short stacking energy: -89.446
Base-Backbone interact. energy: -0.025
local terms energy: -106.879542
where:
bonds (distance) C4'-P energy: -21.577
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -23.897
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -28.523
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: 9
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -318.517259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.517259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.517259 (E_RNA)
where:
Base-Base interactions energy: -224.235
where: short stacking energy: -95.409
Base-Backbone interact. energy: 0.083
local terms energy: -94.364967
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -26.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -317.283701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.283701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.283701 (E_RNA)
where:
Base-Base interactions energy: -216.009
where: short stacking energy: -90.541
Base-Backbone interact. energy: -0.748
local terms energy: -100.526687
where:
bonds (distance) C4'-P energy: -19.186
bonds (distance) P-C4' energy: -20.590
flat angles C4'-P-C4' energy: -20.160
flat angles P-C4'-P energy: -14.863
tors. eta vs tors. theta energy: -25.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -283.855556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.855556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.855556 (E_RNA)
where:
Base-Base interactions energy: -191.952
where: short stacking energy: -87.410
Base-Backbone interact. energy: -0.545
local terms energy: -91.358444
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -18.984
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -24.314
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: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -252.664722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.664722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.664722 (E_RNA)
where:
Base-Base interactions energy: -159.726
where: short stacking energy: -72.366
Base-Backbone interact. energy: 0.326
local terms energy: -93.264866
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -19.604
flat angles P-C4'-P energy: -15.959
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: 6, replica: 6
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -178.505637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.505637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.505637 (E_RNA)
where:
Base-Base interactions energy: -91.601
where: short stacking energy: -49.315
Base-Backbone interact. energy: -0.084
local terms energy: -86.820964
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -19.133
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -17.343
tors. eta vs tors. theta energy: -10.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -115.672019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.672019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.672019 (E_RNA)
where:
Base-Base interactions energy: -44.075
where: short stacking energy: -42.867
Base-Backbone interact. energy: -0.326
local terms energy: -71.270496
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -8.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -121.287539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.287539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.287539 (E_RNA)
where:
Base-Base interactions energy: -51.923
where: short stacking energy: -33.229
Base-Backbone interact. energy: -0.761
local terms energy: -68.603512
where:
bonds (distance) C4'-P energy: -19.466
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -10.321
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: 9, replica: 10
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -120.390981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.390981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.390981 (E_RNA)
where:
Base-Base interactions energy: -69.183
where: short stacking energy: -44.072
Base-Backbone interact. energy: -0.210
local terms energy: -50.997371
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -11.224
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -4.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -95.116296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.116296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.116296 (E_RNA)
where:
Base-Base interactions energy: -35.860
where: short stacking energy: -34.603
Base-Backbone interact. energy: 0.327
local terms energy: -59.583785
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -20.493
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -1.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -314.152130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.152130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.152130 (E_RNA)
where:
Base-Base interactions energy: -208.357
where: short stacking energy: -87.201
Base-Backbone interact. energy: -1.486
local terms energy: -104.308728
where:
bonds (distance) C4'-P energy: -20.386
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -21.246
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -31.378
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: 9
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -325.666150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.666150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.666150 (E_RNA)
where:
Base-Base interactions energy: -227.109
where: short stacking energy: -99.825
Base-Backbone interact. energy: -0.113
local terms energy: -98.444373
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -22.634
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -27.521
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: 7
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -313.715737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.715737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.715737 (E_RNA)
where:
Base-Base interactions energy: -209.529
where: short stacking energy: -92.217
Base-Backbone interact. energy: -0.254
local terms energy: -103.932206
where:
bonds (distance) C4'-P energy: -21.470
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -21.150
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -28.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -280.744010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.744010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.744010 (E_RNA)
where:
Base-Base interactions energy: -196.972
where: short stacking energy: -77.183
Base-Backbone interact. energy: -0.604
local terms energy: -83.168439
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -18.203
flat angles P-C4'-P energy: -9.294
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: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -257.136396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.136396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.136396 (E_RNA)
where:
Base-Base interactions energy: -159.783
where: short stacking energy: -74.770
Base-Backbone interact. energy: -0.189
local terms energy: -97.164992
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -19.901
flat angles C4'-P-C4' energy: -20.206
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: -23.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -205.747716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.747716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.747716 (E_RNA)
where:
Base-Base interactions energy: -129.724
where: short stacking energy: -56.325
Base-Backbone interact. energy: -0.076
local terms energy: -75.947994
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -22.304
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -13.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -118.349381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.349381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.349381 (E_RNA)
where:
Base-Base interactions energy: -46.984
where: short stacking energy: -40.295
Base-Backbone interact. energy: -0.330
local terms energy: -71.035407
where:
bonds (distance) C4'-P energy: -19.179
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -3.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -125.725194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.725194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.725194 (E_RNA)
where:
Base-Base interactions energy: -48.258
where: short stacking energy: -39.388
Base-Backbone interact. energy: -0.126
local terms energy: -77.341604
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -8.387
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: 10
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -128.607041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.607041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.607041 (E_RNA)
where:
Base-Base interactions energy: -65.038
where: short stacking energy: -52.679
Base-Backbone interact. energy: -0.047
local terms energy: -63.522119
where:
bonds (distance) C4'-P energy: -7.100
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -12.495
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: 4
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -103.552112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.552112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.552112 (E_RNA)
where:
Base-Base interactions energy: -47.125
where: short stacking energy: -47.007
Base-Backbone interact. energy: -0.796
local terms energy: -55.630869
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -6.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -316.804889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.804889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.804889 (E_RNA)
where:
Base-Base interactions energy: -215.140
where: short stacking energy: -92.707
Base-Backbone interact. energy: -0.311
local terms energy: -101.354279
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -22.570
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -27.933
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: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -322.125200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.125200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.125200 (E_RNA)
where:
Base-Base interactions energy: -219.098
where: short stacking energy: -89.056
Base-Backbone interact. energy: -0.251
local terms energy: -102.775912
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -22.381
flat angles C4'-P-C4' energy: -20.950
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -26.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -318.233033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.233033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.233033 (E_RNA)
where:
Base-Base interactions energy: -216.537
where: short stacking energy: -95.776
Base-Backbone interact. energy: -0.627
local terms energy: -101.068587
where:
bonds (distance) C4'-P energy: -20.009
bonds (distance) P-C4' energy: -23.190
flat angles C4'-P-C4' energy: -20.333
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -30.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -284.334649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.334649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.334649 (E_RNA)
where:
Base-Base interactions energy: -192.508
where: short stacking energy: -80.945
Base-Backbone interact. energy: 0.143
local terms energy: -91.969302
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -22.773
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -8.645
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: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -252.381711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.381711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.381711 (E_RNA)
where:
Base-Base interactions energy: -166.724
where: short stacking energy: -86.170
Base-Backbone interact. energy: -0.388
local terms energy: -85.270254
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -21.858
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -18.470
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: 6, replica: 6
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -205.779795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.779795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.779795 (E_RNA)
where:
Base-Base interactions energy: -129.779
where: short stacking energy: -52.409
Base-Backbone interact. energy: -0.136
local terms energy: -75.865473
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -18.167
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -15.318
tors. eta vs tors. theta energy: -10.791
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: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -121.564453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.564453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.564453 (E_RNA)
where:
Base-Base interactions energy: -48.775
where: short stacking energy: -40.482
Base-Backbone interact. energy: -0.147
local terms energy: -72.642194
where:
bonds (distance) C4'-P energy: -19.052
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -135.313605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.313605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.313605 (E_RNA)
where:
Base-Base interactions energy: -71.528
where: short stacking energy: -45.609
Base-Backbone interact. energy: -0.233
local terms energy: -63.552858
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -4.080
tors. eta vs tors. theta energy: -6.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -111.515689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.515689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.515689 (E_RNA)
where:
Base-Base interactions energy: -44.434
where: short stacking energy: -36.455
Base-Backbone interact. energy: -0.311
local terms energy: -66.770508
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -3.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -126.441927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.441927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.441927 (E_RNA)
where:
Base-Base interactions energy: -58.629
where: short stacking energy: -28.971
Base-Backbone interact. energy: -0.206
local terms energy: -67.607504
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -20.513
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -324.187285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.187285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.187285 (E_RNA)
where:
Base-Base interactions energy: -222.651
where: short stacking energy: -97.413
Base-Backbone interact. energy: -0.310
local terms energy: -101.226560
where:
bonds (distance) C4'-P energy: -21.139
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -20.078
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -26.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -316.661450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.661450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.661450 (E_RNA)
where:
Base-Base interactions energy: -218.738
where: short stacking energy: -95.523
Base-Backbone interact. energy: -0.596
local terms energy: -97.326948
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -20.700
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -28.070
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: 3, replica: 9
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -322.014182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.014182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.014182 (E_RNA)
where:
Base-Base interactions energy: -213.211
where: short stacking energy: -95.058
Base-Backbone interact. energy: -0.360
local terms energy: -108.443339
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -23.983
flat angles C4'-P-C4' energy: -20.883
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -27.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -290.743293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.743293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.743293 (E_RNA)
where:
Base-Base interactions energy: -200.514
where: short stacking energy: -87.045
Base-Backbone interact. energy: -0.085
local terms energy: -90.144848
where:
bonds (distance) C4'-P energy: -21.014
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -25.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -255.629934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.629934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.629934 (E_RNA)
where:
Base-Base interactions energy: -164.591
where: short stacking energy: -73.732
Base-Backbone interact. energy: -0.085
local terms energy: -90.954359
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -22.766
flat angles P-C4'-P energy: -14.660
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: 6, replica: 6
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -203.480064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.480064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.480064 (E_RNA)
where:
Base-Base interactions energy: -129.261
where: short stacking energy: -59.550
Base-Backbone interact. energy: -0.101
local terms energy: -74.117979
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -17.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -180.426112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.426112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.426112 (E_RNA)
where:
Base-Base interactions energy: -98.883
where: short stacking energy: -43.941
Base-Backbone interact. energy: 1.253
local terms energy: -82.796189
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -21.706
flat angles C4'-P-C4' energy: -20.247
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -10.235
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: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -116.509232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.509232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.509232 (E_RNA)
where:
Base-Base interactions energy: -41.421
where: short stacking energy: -41.274
Base-Backbone interact. energy: -0.171
local terms energy: -74.917795
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -20.805
flat angles C4'-P-C4' energy: -19.682
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -3.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -103.909105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.909105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.909105 (E_RNA)
where:
Base-Base interactions energy: -42.891
where: short stacking energy: -41.790
Base-Backbone interact. energy: -0.054
local terms energy: -60.964167
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -10.500
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: 10, replica: 8
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -102.206756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.206756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.206756 (E_RNA)
where:
Base-Base interactions energy: -40.672
where: short stacking energy: -40.672
Base-Backbone interact. energy: -0.064
local terms energy: -61.470836
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -5.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -328.604026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.604026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.604026 (E_RNA)
where:
Base-Base interactions energy: -220.969
where: short stacking energy: -95.881
Base-Backbone interact. energy: -0.118
local terms energy: -107.517432
where:
bonds (distance) C4'-P energy: -20.030
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -26.109
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -25.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -322.899468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.899468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.899468 (E_RNA)
where:
Base-Base interactions energy: -215.802
where: short stacking energy: -95.291
Base-Backbone interact. energy: -1.458
local terms energy: -105.639250
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: -29.981
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: 3, replica: 1
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -307.669255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.669255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.669255 (E_RNA)
where:
Base-Base interactions energy: -200.083
where: short stacking energy: -88.442
Base-Backbone interact. energy: -0.294
local terms energy: -107.291734
where:
bonds (distance) C4'-P energy: -20.386
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -22.360
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -28.589
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: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -280.356024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.356024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.356024 (E_RNA)
where:
Base-Base interactions energy: -199.607
where: short stacking energy: -79.567
Base-Backbone interact. energy: -0.196
local terms energy: -80.552645
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -19.237
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -18.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -257.897241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.897241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.897241 (E_RNA)
where:
Base-Base interactions energy: -168.620
where: short stacking energy: -67.796
Base-Backbone interact. energy: 0.077
local terms energy: -89.354801
where:
bonds (distance) C4'-P energy: -21.087
bonds (distance) P-C4' energy: -21.336
flat angles C4'-P-C4' energy: -20.153
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -18.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -202.230471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.230471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.230471 (E_RNA)
where:
Base-Base interactions energy: -123.905
where: short stacking energy: -38.831
Base-Backbone interact. energy: -0.599
local terms energy: -77.726162
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -10.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -176.727256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.727256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.727256 (E_RNA)
where:
Base-Base interactions energy: -87.076
where: short stacking energy: -47.741
Base-Backbone interact. energy: -0.177
local terms energy: -89.474353
where:
bonds (distance) C4'-P energy: -19.827
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -16.163
tors. eta vs tors. theta energy: -15.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -106.544600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.544600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.544600 (E_RNA)
where:
Base-Base interactions energy: -39.158
where: short stacking energy: -38.882
Base-Backbone interact. energy: 1.089
local terms energy: -68.475763
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -10.888
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: 4
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -121.732501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.732501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.732501 (E_RNA)
where:
Base-Base interactions energy: -50.352
where: short stacking energy: -38.376
Base-Backbone interact. energy: -0.529
local terms energy: -70.851345
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -22.577
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -10.938
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: 10, replica: 8
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -103.276172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.276172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.276172 (E_RNA)
where:
Base-Base interactions energy: -31.698
where: short stacking energy: -31.798
Base-Backbone interact. energy: -0.235
local terms energy: -71.343333
where:
bonds (distance) C4'-P energy: -20.674
bonds (distance) P-C4' energy: -17.028
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -8.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -335.854151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.854151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.854151 (E_RNA)
where:
Base-Base interactions energy: -228.093
where: short stacking energy: -100.668
Base-Backbone interact. energy: -0.359
local terms energy: -107.401941
where:
bonds (distance) C4'-P energy: -20.666
bonds (distance) P-C4' energy: -22.447
flat angles C4'-P-C4' energy: -18.454
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -28.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -318.434000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.434000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.434000 (E_RNA)
where:
Base-Base interactions energy: -219.842
where: short stacking energy: -92.892
Base-Backbone interact. energy: -0.127
local terms energy: -98.464776
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -27.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -312.071155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.071155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.071155 (E_RNA)
where:
Base-Base interactions energy: -205.145
where: short stacking energy: -88.096
Base-Backbone interact. energy: -0.090
local terms energy: -106.836314
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -24.980
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -28.554
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: 90
Temperature: 1.050000
Total energy: -285.940036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.940036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.940036 (E_RNA)
where:
Base-Base interactions energy: -201.973
where: short stacking energy: -83.476
Base-Backbone interact. energy: -1.150
local terms energy: -82.817385
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -20.716
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -16.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -252.735427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.735427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.735427 (E_RNA)
where:
Base-Base interactions energy: -153.140
where: short stacking energy: -63.336
Base-Backbone interact. energy: -0.500
local terms energy: -99.095281
where:
bonds (distance) C4'-P energy: -22.476
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -22.244
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -20.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -253.719322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.719322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.719322 (E_RNA)
where:
Base-Base interactions energy: -166.457
where: short stacking energy: -68.984
Base-Backbone interact. energy: -0.484
local terms energy: -86.778467
where:
bonds (distance) C4'-P energy: -21.056
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -19.820
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -18.096
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: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -176.444931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.444931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.444931 (E_RNA)
where:
Base-Base interactions energy: -102.236
where: short stacking energy: -61.773
Base-Backbone interact. energy: -0.023
local terms energy: -74.186294
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -21.573
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -12.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -107.744292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.744292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.744292 (E_RNA)
where:
Base-Base interactions energy: -40.981
where: short stacking energy: -40.981
Base-Backbone interact. energy: -0.006
local terms energy: -66.756477
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -23.872
flat angles C4'-P-C4' energy: -21.320
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -0.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -105.221621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.221621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.221621 (E_RNA)
where:
Base-Base interactions energy: -37.824
where: short stacking energy: -27.815
Base-Backbone interact. energy: -0.473
local terms energy: -66.924685
where:
bonds (distance) C4'-P energy: -23.797
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -3.682
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: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -103.025358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.025358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.025358 (E_RNA)
where:
Base-Base interactions energy: -39.119
where: short stacking energy: -35.301
Base-Backbone interact. energy: 0.729
local terms energy: -64.635429
where:
bonds (distance) C4'-P energy: -19.119
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -4.978
tors. eta vs tors. theta energy: -8.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -329.568114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.568114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.568114 (E_RNA)
where:
Base-Base interactions energy: -222.670
where: short stacking energy: -100.100
Base-Backbone interact. energy: -0.107
local terms energy: -106.791191
where:
bonds (distance) C4'-P energy: -18.988
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -23.741
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -31.013
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: 9
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -322.794620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.794620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.794620 (E_RNA)
where:
Base-Base interactions energy: -225.308
where: short stacking energy: -92.330
Base-Backbone interact. energy: -0.436
local terms energy: -97.049999
where:
bonds (distance) C4'-P energy: -21.448
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -23.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -311.951520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.951520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.951520 (E_RNA)
where:
Base-Base interactions energy: -210.248
where: short stacking energy: -90.162
Base-Backbone interact. energy: -0.446
local terms energy: -101.257149
where:
bonds (distance) C4'-P energy: -19.728
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -22.715
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -26.232
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: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -281.067047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.067047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.067047 (E_RNA)
where:
Base-Base interactions energy: -192.732
where: short stacking energy: -70.767
Base-Backbone interact. energy: -0.361
local terms energy: -87.974659
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -21.217
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -14.967
tors. eta vs tors. theta energy: -18.741
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: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -242.395740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.395740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.395740 (E_RNA)
where:
Base-Base interactions energy: -162.271
where: short stacking energy: -69.993
Base-Backbone interact. energy: -0.570
local terms energy: -79.554691
where:
bonds (distance) C4'-P energy: -22.733
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -16.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -262.988454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.988454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.988454 (E_RNA)
where:
Base-Base interactions energy: -173.972
where: short stacking energy: -71.191
Base-Backbone interact. energy: -0.256
local terms energy: -88.760549
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -18.450
flat angles C4'-P-C4' energy: -21.080
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -17.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -156.998204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.998204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.998204 (E_RNA)
where:
Base-Base interactions energy: -90.682
where: short stacking energy: -51.428
Base-Backbone interact. energy: -0.563
local terms energy: -65.753483
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -4.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -107.064831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.064831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.064831 (E_RNA)
where:
Base-Base interactions energy: -46.704
where: short stacking energy: -46.704
Base-Backbone interact. energy: -0.386
local terms energy: -59.974706
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -18.836
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: 0.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -114.825424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.825424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.825424 (E_RNA)
where:
Base-Base interactions energy: -41.855
where: short stacking energy: -41.855
Base-Backbone interact. energy: -0.028
local terms energy: -72.942079
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -19.719
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -13.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -102.596367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.596367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.596367 (E_RNA)
where:
Base-Base interactions energy: -42.999
where: short stacking energy: -30.692
Base-Backbone interact. energy: -0.295
local terms energy: -59.301712
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -10.313
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -340.283363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.283363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.283363 (E_RNA)
where:
Base-Base interactions energy: -235.494
where: short stacking energy: -95.168
Base-Backbone interact. energy: -0.687
local terms energy: -104.101782
where:
bonds (distance) C4'-P energy: -21.774
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -22.596
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -25.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -321.733926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.733926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.733926 (E_RNA)
where:
Base-Base interactions energy: -217.840
where: short stacking energy: -92.461
Base-Backbone interact. energy: -0.095
local terms energy: -103.798593
where:
bonds (distance) C4'-P energy: -18.962
bonds (distance) P-C4' energy: -20.686
flat angles C4'-P-C4' energy: -20.749
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -28.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -278.506007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.506007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.506007 (E_RNA)
where:
Base-Base interactions energy: -184.287
where: short stacking energy: -78.486
Base-Backbone interact. energy: -0.611
local terms energy: -93.608487
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -22.302
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -20.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -297.721602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.721602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.721602 (E_RNA)
where:
Base-Base interactions energy: -195.795
where: short stacking energy: -86.669
Base-Backbone interact. energy: -0.160
local terms energy: -101.765996
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -18.233
tors. eta vs tors. theta energy: -27.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -229.731920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.731920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.731920 (E_RNA)
where:
Base-Base interactions energy: -140.903
where: short stacking energy: -59.407
Base-Backbone interact. energy: -0.257
local terms energy: -88.571911
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -19.892
flat angles C4'-P-C4' energy: -22.263
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -242.525608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.525608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.525608 (E_RNA)
where:
Base-Base interactions energy: -157.101
where: short stacking energy: -69.739
Base-Backbone interact. energy: 0.017
local terms energy: -85.441066
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -19.275
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -16.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -186.326991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.326991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.326991 (E_RNA)
where:
Base-Base interactions energy: -110.200
where: short stacking energy: -53.415
Base-Backbone interact. energy: -0.312
local terms energy: -75.814988
where:
bonds (distance) C4'-P energy: -17.396
bonds (distance) P-C4' energy: -20.173
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -14.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -111.405588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.405588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.405588 (E_RNA)
where:
Base-Base interactions energy: -39.515
where: short stacking energy: -37.692
Base-Backbone interact. energy: -0.092
local terms energy: -71.798448
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -12.163
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: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -116.993878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.993878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.993878 (E_RNA)
where:
Base-Base interactions energy: -53.300
where: short stacking energy: -36.235
Base-Backbone interact. energy: 1.867
local terms energy: -65.561013
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -19.233
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -10.460
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: 5
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -98.733042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.733042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.733042 (E_RNA)
where:
Base-Base interactions energy: -36.964
where: short stacking energy: -36.964
Base-Backbone interact. energy: -0.129
local terms energy: -61.639750
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -17.652
flat angles C4'-P-C4' energy: -9.312
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -8.081
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: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -330.628997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.628997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.628997 (E_RNA)
where:
Base-Base interactions energy: -228.186
where: short stacking energy: -105.206
Base-Backbone interact. energy: -0.077
local terms energy: -102.365506
where:
bonds (distance) C4'-P energy: -23.531
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -23.290
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -27.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -318.116986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.116986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.116986 (E_RNA)
where:
Base-Base interactions energy: -223.157
where: short stacking energy: -90.818
Base-Backbone interact. energy: -0.081
local terms energy: -94.878945
where:
bonds (distance) C4'-P energy: -22.679
bonds (distance) P-C4' energy: -20.702
flat angles C4'-P-C4' energy: -21.030
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -20.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -288.309525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.309525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.309525 (E_RNA)
where:
Base-Base interactions energy: -187.049
where: short stacking energy: -74.078
Base-Backbone interact. energy: -0.409
local terms energy: -100.851782
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -22.923
flat angles C4'-P-C4' energy: -20.240
flat angles P-C4'-P energy: -15.692
tors. eta vs tors. theta energy: -21.123
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: 1
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -300.136965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.136965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.136965 (E_RNA)
where:
Base-Base interactions energy: -213.631
where: short stacking energy: -86.512
Base-Backbone interact. energy: -0.584
local terms energy: -85.921499
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -4.553
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: 5, replica: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -249.542893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.542893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.542893 (E_RNA)
where:
Base-Base interactions energy: -155.999
where: short stacking energy: -61.539
Base-Backbone interact. energy: 2.685
local terms energy: -96.228842
where:
bonds (distance) C4'-P energy: -22.290
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -21.102
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -20.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -249.237316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.237316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.237316 (E_RNA)
where:
Base-Base interactions energy: -163.056
where: short stacking energy: -76.738
Base-Backbone interact. energy: -0.553
local terms energy: -85.627966
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -20.586
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -19.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -181.226424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.226424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.226424 (E_RNA)
where:
Base-Base interactions energy: -100.862
where: short stacking energy: -61.463
Base-Backbone interact. energy: -0.144
local terms energy: -80.221004
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -15.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -111.241029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.241029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.241029 (E_RNA)
where:
Base-Base interactions energy: -47.343
where: short stacking energy: -29.389
Base-Backbone interact. energy: 0.890
local terms energy: -64.788016
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -23.529
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: 1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -119.435772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.435772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.435772 (E_RNA)
where:
Base-Base interactions energy: -50.475
where: short stacking energy: -46.367
Base-Backbone interact. energy: -0.082
local terms energy: -68.879584
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -23.008
flat angles P-C4'-P energy: -10.515
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: 10, replica: 5
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -88.841409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.841409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.841409 (E_RNA)
where:
Base-Base interactions energy: -26.099
where: short stacking energy: -21.876
Base-Backbone interact. energy: -0.333
local terms energy: -62.408726
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -332.246369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.246369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.246369 (E_RNA)
where:
Base-Base interactions energy: -221.764
where: short stacking energy: -96.089
Base-Backbone interact. energy: -1.505
local terms energy: -108.977021
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -22.053
flat angles C4'-P-C4' energy: -23.758
flat angles P-C4'-P energy: -16.239
tors. eta vs tors. theta energy: -26.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -322.581480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.581480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.581480 (E_RNA)
where:
Base-Base interactions energy: -220.290
where: short stacking energy: -97.774
Base-Backbone interact. energy: -0.120
local terms energy: -102.171382
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -25.172
flat angles P-C4'-P energy: -19.728
tors. eta vs tors. theta energy: -23.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -290.993918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.993918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.993918 (E_RNA)
where:
Base-Base interactions energy: -187.857
where: short stacking energy: -80.466
Base-Backbone interact. energy: -0.055
local terms energy: -103.082201
where:
bonds (distance) C4'-P energy: -21.549
bonds (distance) P-C4' energy: -22.996
flat angles C4'-P-C4' energy: -23.430
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -22.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -301.920637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.920637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.920637 (E_RNA)
where:
Base-Base interactions energy: -200.963
where: short stacking energy: -85.418
Base-Backbone interact. energy: -0.212
local terms energy: -100.745888
where:
bonds (distance) C4'-P energy: -21.400
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -21.156
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -27.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -259.380069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.380069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.380069 (E_RNA)
where:
Base-Base interactions energy: -174.349
where: short stacking energy: -79.071
Base-Backbone interact. energy: -0.219
local terms energy: -84.811509
where:
bonds (distance) C4'-P energy: -18.953
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -21.017
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: 10
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -245.681034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.681034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.681034 (E_RNA)
where:
Base-Base interactions energy: -168.719
where: short stacking energy: -74.951
Base-Backbone interact. energy: -0.775
local terms energy: -76.187097
where:
bonds (distance) C4'-P energy: -18.487
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -19.728
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -15.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -186.444440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.444440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.444440 (E_RNA)
where:
Base-Base interactions energy: -114.609
where: short stacking energy: -46.730
Base-Backbone interact. energy: -0.669
local terms energy: -71.166905
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -10.965
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: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -120.142056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.142056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.142056 (E_RNA)
where:
Base-Base interactions energy: -61.316
where: short stacking energy: -32.400
Base-Backbone interact. energy: 1.846
local terms energy: -60.672056
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -18.745
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: 1.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -98.404005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.404005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.404005 (E_RNA)
where:
Base-Base interactions energy: -35.111
where: short stacking energy: -32.181
Base-Backbone interact. energy: -0.201
local terms energy: -63.092376
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -22.614
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -0.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -93.671593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.671593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.671593 (E_RNA)
where:
Base-Base interactions energy: -37.733
where: short stacking energy: -35.748
Base-Backbone interact. energy: -0.192
local terms energy: -55.745920
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -7.796
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -4.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -332.067373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.067373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.067373 (E_RNA)
where:
Base-Base interactions energy: -220.685
where: short stacking energy: -95.477
Base-Backbone interact. energy: -0.408
local terms energy: -110.974446
where:
bonds (distance) C4'-P energy: -20.811
bonds (distance) P-C4' energy: -24.470
flat angles C4'-P-C4' energy: -23.859
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -28.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -329.438628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.438628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.438628 (E_RNA)
where:
Base-Base interactions energy: -219.873
where: short stacking energy: -94.825
Base-Backbone interact. energy: -1.096
local terms energy: -108.469998
where:
bonds (distance) C4'-P energy: -22.823
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -20.562
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -29.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -287.388950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.388950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.388950 (E_RNA)
where:
Base-Base interactions energy: -188.358
where: short stacking energy: -75.843
Base-Backbone interact. energy: -0.265
local terms energy: -98.765901
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -23.846
flat angles C4'-P-C4' energy: -22.205
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -17.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -276.861979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.861979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.861979 (E_RNA)
where:
Base-Base interactions energy: -182.139
where: short stacking energy: -78.961
Base-Backbone interact. energy: -0.356
local terms energy: -94.367129
where:
bonds (distance) C4'-P energy: -20.630
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -21.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -292.732676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.732676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.732676 (E_RNA)
where:
Base-Base interactions energy: -200.575
where: short stacking energy: -92.662
Base-Backbone interact. energy: -0.120
local terms energy: -92.037326
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -29.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -258.668830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.668830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.668830 (E_RNA)
where:
Base-Base interactions energy: -166.519
where: short stacking energy: -74.374
Base-Backbone interact. energy: -0.081
local terms energy: -92.068216
where:
bonds (distance) C4'-P energy: -19.777
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -19.085
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -21.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -175.649748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.649748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.649748 (E_RNA)
where:
Base-Base interactions energy: -108.590
where: short stacking energy: -38.343
Base-Backbone interact. energy: -0.321
local terms energy: -66.738133
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -15.556
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -1.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -105.788308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.788308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.788308 (E_RNA)
where:
Base-Base interactions energy: -38.937
where: short stacking energy: -35.511
Base-Backbone interact. energy: -1.059
local terms energy: -65.792477
where:
bonds (distance) C4'-P energy: -21.942
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: 1.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -121.913246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.913246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.913246 (E_RNA)
where:
Base-Base interactions energy: -65.664
where: short stacking energy: -39.043
Base-Backbone interact. energy: 1.316
local terms energy: -57.565629
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -4.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -110.982825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.982825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.982825 (E_RNA)
where:
Base-Base interactions energy: -43.736
where: short stacking energy: -37.745
Base-Backbone interact. energy: -0.110
local terms energy: -67.137630
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -18.567
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -5.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -341.217566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.217566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.217566 (E_RNA)
where:
Base-Base interactions energy: -230.074
where: short stacking energy: -100.455
Base-Backbone interact. energy: -0.403
local terms energy: -110.740123
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -24.163
flat angles C4'-P-C4' energy: -23.827
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -30.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -323.171058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.171058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.171058 (E_RNA)
where:
Base-Base interactions energy: -218.613
where: short stacking energy: -92.996
Base-Backbone interact. energy: -1.318
local terms energy: -103.240717
where:
bonds (distance) C4'-P energy: -21.301
bonds (distance) P-C4' energy: -20.783
flat angles C4'-P-C4' energy: -23.070
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -28.145
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: 96
Temperature: 1.000000
Total energy: -294.008593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.008593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.008593 (E_RNA)
where:
Base-Base interactions energy: -210.268
where: short stacking energy: -83.511
Base-Backbone interact. energy: 0.120
local terms energy: -83.860987
where:
bonds (distance) C4'-P energy: -19.451
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -21.716
flat angles P-C4'-P energy: -8.320
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: 4, replica: 2
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -270.122313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.122313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.122313 (E_RNA)
where:
Base-Base interactions energy: -175.797
where: short stacking energy: -71.176
Base-Backbone interact. energy: -0.792
local terms energy: -93.532632
where:
bonds (distance) C4'-P energy: -20.302
bonds (distance) P-C4' energy: -22.124
flat angles C4'-P-C4' energy: -20.379
flat angles P-C4'-P energy: -11.026
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: 5, replica: 1
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -272.951153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.951153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.951153 (E_RNA)
where:
Base-Base interactions energy: -180.135
where: short stacking energy: -77.219
Base-Backbone interact. energy: -0.132
local terms energy: -92.685007
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -21.374
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -15.813
tors. eta vs tors. theta energy: -22.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -249.311035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.311035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.311035 (E_RNA)
where:
Base-Base interactions energy: -160.487
where: short stacking energy: -64.422
Base-Backbone interact. energy: 0.912
local terms energy: -89.736488
where:
bonds (distance) C4'-P energy: -19.383
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -19.093
flat angles P-C4'-P energy: -14.502
tors. eta vs tors. theta energy: -14.819
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: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -190.317509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.317509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.317509 (E_RNA)
where:
Base-Base interactions energy: -116.787
where: short stacking energy: -64.626
Base-Backbone interact. energy: -0.175
local terms energy: -73.355639
where:
bonds (distance) C4'-P energy: -18.447
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -20.911
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -12.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -109.521811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.521811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.521811 (E_RNA)
where:
Base-Base interactions energy: -39.074
where: short stacking energy: -38.353
Base-Backbone interact. energy: 0.360
local terms energy: -70.807929
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -134.976997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.976997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.976997 (E_RNA)
where:
Base-Base interactions energy: -75.063
where: short stacking energy: -42.699
Base-Backbone interact. energy: 1.160
local terms energy: -61.074483
where:
bonds (distance) C4'-P energy: -8.103
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -23.815
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -1.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -100.824395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.824395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.824395 (E_RNA)
where:
Base-Base interactions energy: -29.976
where: short stacking energy: -28.944
Base-Backbone interact. energy: -0.280
local terms energy: -70.567658
where:
bonds (distance) C4'-P energy: -18.481
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -330.335724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.335724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.335724 (E_RNA)
where:
Base-Base interactions energy: -230.353
where: short stacking energy: -99.799
Base-Backbone interact. energy: -0.078
local terms energy: -99.904433
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -23.155
flat angles P-C4'-P energy: -19.555
tors. eta vs tors. theta energy: -26.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -325.500673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.500673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.500673 (E_RNA)
where:
Base-Base interactions energy: -214.935
where: short stacking energy: -90.492
Base-Backbone interact. energy: -0.298
local terms energy: -110.268378
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -22.450
flat angles C4'-P-C4' energy: -24.926
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -26.194
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: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -303.197198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.197198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.197198 (E_RNA)
where:
Base-Base interactions energy: -211.337
where: short stacking energy: -83.255
Base-Backbone interact. energy: -0.038
local terms energy: -91.821214
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -22.216
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -22.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -268.437298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.437298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.437298 (E_RNA)
where:
Base-Base interactions energy: -183.882
where: short stacking energy: -88.153
Base-Backbone interact. energy: -0.738
local terms energy: -83.816732
where:
bonds (distance) C4'-P energy: -18.549
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -26.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -259.960160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.960160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.960160 (E_RNA)
where:
Base-Base interactions energy: -169.347
where: short stacking energy: -74.095
Base-Backbone interact. energy: -0.117
local terms energy: -90.496391
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -18.405
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -15.846
tors. eta vs tors. theta energy: -24.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -247.543682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.543682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.543682 (E_RNA)
where:
Base-Base interactions energy: -165.496
where: short stacking energy: -75.949
Base-Backbone interact. energy: -0.105
local terms energy: -81.942535
where:
bonds (distance) C4'-P energy: -17.429
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -22.830
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -22.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -191.428083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.428083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.428083 (E_RNA)
where:
Base-Base interactions energy: -112.305
where: short stacking energy: -63.427
Base-Backbone interact. energy: 3.012
local terms energy: -82.135530
where:
bonds (distance) C4'-P energy: -18.972
bonds (distance) P-C4' energy: -22.593
flat angles C4'-P-C4' energy: -9.297
flat angles P-C4'-P energy: -13.947
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: 8, replica: 5
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -112.130661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.130661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.130661 (E_RNA)
where:
Base-Base interactions energy: -40.104
where: short stacking energy: -37.012
Base-Backbone interact. energy: -0.138
local terms energy: -71.888490
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -22.019
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -4.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -116.793562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.793562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.793562 (E_RNA)
where:
Base-Base interactions energy: -58.525
where: short stacking energy: -38.592
Base-Backbone interact. energy: 0.509
local terms energy: -58.777724
where:
bonds (distance) C4'-P energy: -18.332
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: 1.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -88.971606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.971606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.971606 (E_RNA)
where:
Base-Base interactions energy: -24.686
where: short stacking energy: -24.786
Base-Backbone interact. energy: 0.483
local terms energy: -64.769253
where:
bonds (distance) C4'-P energy: -20.039
bonds (distance) P-C4' energy: -21.454
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: 3.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -331.709861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.709861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.709861 (E_RNA)
where:
Base-Base interactions energy: -223.835
where: short stacking energy: -95.211
Base-Backbone interact. energy: -1.121
local terms energy: -106.753382
where:
bonds (distance) C4'-P energy: -22.004
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -22.695
flat angles P-C4'-P energy: -14.771
tors. eta vs tors. theta energy: -27.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -328.807305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.807305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.807305 (E_RNA)
where:
Base-Base interactions energy: -219.895
where: short stacking energy: -100.489
Base-Backbone interact. energy: -0.785
local terms energy: -108.127307
where:
bonds (distance) C4'-P energy: -24.927
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -21.725
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -28.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -298.940989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.940989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.940989 (E_RNA)
where:
Base-Base interactions energy: -197.236
where: short stacking energy: -87.109
Base-Backbone interact. energy: -0.327
local terms energy: -101.377137
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -23.908
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -22.769
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: 4, replica: 3
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -302.986947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.986947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.986947 (E_RNA)
where:
Base-Base interactions energy: -210.710
where: short stacking energy: -87.351
Base-Backbone interact. energy: -0.051
local terms energy: -92.226528
where:
bonds (distance) C4'-P energy: -17.640
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -21.640
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -22.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -264.836588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.836588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.836588 (E_RNA)
where:
Base-Base interactions energy: -167.378
where: short stacking energy: -79.892
Base-Backbone interact. energy: -0.048
local terms energy: -97.410930
where:
bonds (distance) C4'-P energy: -19.599
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -23.468
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: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -247.032273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.032273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.032273 (E_RNA)
where:
Base-Base interactions energy: -154.399
where: short stacking energy: -57.748
Base-Backbone interact. energy: -0.323
local terms energy: -92.310551
where:
bonds (distance) C4'-P energy: -18.651
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -20.922
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -21.401
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: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -198.566944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.566944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.566944 (E_RNA)
where:
Base-Base interactions energy: -120.334
where: short stacking energy: -74.077
Base-Backbone interact. energy: -0.228
local terms energy: -78.004949
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -16.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -115.389645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.389645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.389645 (E_RNA)
where:
Base-Base interactions energy: -40.109
where: short stacking energy: -39.708
Base-Backbone interact. energy: -0.513
local terms energy: -74.767508
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -12.151
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: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -105.596554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.596554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.596554 (E_RNA)
where:
Base-Base interactions energy: -38.549
where: short stacking energy: -33.607
Base-Backbone interact. energy: -0.249
local terms energy: -66.798838
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -6.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -101.341233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.341233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.341233 (E_RNA)
where:
Base-Base interactions energy: -37.948
where: short stacking energy: -26.090
Base-Backbone interact. energy: -0.861
local terms energy: -62.531532
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -21.676
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -3.702
tors. eta vs tors. theta energy: -2.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -331.471526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.471526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.471526 (E_RNA)
where:
Base-Base interactions energy: -218.295
where: short stacking energy: -96.875
Base-Backbone interact. energy: -0.222
local terms energy: -112.954244
where:
bonds (distance) C4'-P energy: -21.297
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -20.716
flat angles P-C4'-P energy: -18.737
tors. eta vs tors. theta energy: -29.573
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: 9
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -327.101403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.101403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.101403 (E_RNA)
where:
Base-Base interactions energy: -218.721
where: short stacking energy: -98.804
Base-Backbone interact. energy: -1.264
local terms energy: -107.116114
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -22.650
flat angles C4'-P-C4' energy: -24.569
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: -27.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -312.139545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.139545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.139545 (E_RNA)
where:
Base-Base interactions energy: -212.913
where: short stacking energy: -83.361
Base-Backbone interact. energy: -1.013
local terms energy: -98.213679
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -25.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -294.430974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.430974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.430974 (E_RNA)
where:
Base-Base interactions energy: -202.727
where: short stacking energy: -84.207
Base-Backbone interact. energy: -0.065
local terms energy: -91.638950
where:
bonds (distance) C4'-P energy: -20.112
bonds (distance) P-C4' energy: -23.973
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -20.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -244.794986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.794986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.794986 (E_RNA)
where:
Base-Base interactions energy: -155.086
where: short stacking energy: -85.939
Base-Backbone interact. energy: -0.050
local terms energy: -89.659158
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -24.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -235.297397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.297397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.297397 (E_RNA)
where:
Base-Base interactions energy: -159.391
where: short stacking energy: -58.047
Base-Backbone interact. energy: -1.079
local terms energy: -74.827006
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -21.884
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -8.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -170.701592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.701592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.701592 (E_RNA)
where:
Base-Base interactions energy: -101.673
where: short stacking energy: -46.275
Base-Backbone interact. energy: -0.376
local terms energy: -68.653090
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -7.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -112.559671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.559671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.559671 (E_RNA)
where:
Base-Base interactions energy: -37.961
where: short stacking energy: -23.893
Base-Backbone interact. energy: -0.411
local terms energy: -74.188259
where:
bonds (distance) C4'-P energy: -22.942
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -9.539
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -3.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -114.783940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.783940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.783940 (E_RNA)
where:
Base-Base interactions energy: -43.606
where: short stacking energy: -22.934
Base-Backbone interact. energy: -0.811
local terms energy: -70.366741
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -12.065
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: 10, replica: 4
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -100.566730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.566730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.566730 (E_RNA)
where:
Base-Base interactions energy: -37.178
where: short stacking energy: -29.920
Base-Backbone interact. energy: -0.337
local terms energy: -63.051808
where:
bonds (distance) C4'-P energy: -18.803
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -19.379
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: 2.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -325.981882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.981882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.981882 (E_RNA)
where:
Base-Base interactions energy: -223.696
where: short stacking energy: -92.656
Base-Backbone interact. energy: -0.593
local terms energy: -101.692024
where:
bonds (distance) C4'-P energy: -19.712
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -20.512
flat angles P-C4'-P energy: -14.210
tors. eta vs tors. theta energy: -27.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -323.822814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.822814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.822814 (E_RNA)
where:
Base-Base interactions energy: -223.358
where: short stacking energy: -100.149
Base-Backbone interact. energy: 0.955
local terms energy: -101.419774
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -21.277
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -20.424
tors. eta vs tors. theta energy: -23.873
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: 1
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -300.906213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.906213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.906213 (E_RNA)
where:
Base-Base interactions energy: -199.556
where: short stacking energy: -83.424
Base-Backbone interact. energy: -0.012
local terms energy: -101.338276
where:
bonds (distance) C4'-P energy: -18.444
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -21.015
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -28.506
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: 3
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -282.706712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.706712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.706712 (E_RNA)
where:
Base-Base interactions energy: -196.635
where: short stacking energy: -74.482
Base-Backbone interact. energy: -0.675
local terms energy: -85.397082
where:
bonds (distance) C4'-P energy: -20.630
bonds (distance) P-C4' energy: -22.153
flat angles C4'-P-C4' energy: -20.048
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -14.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -248.245110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.245110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.245110 (E_RNA)
where:
Base-Base interactions energy: -166.380
where: short stacking energy: -66.562
Base-Backbone interact. energy: -0.363
local terms energy: -81.502958
where:
bonds (distance) C4'-P energy: -18.609
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -21.705
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -12.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -236.955497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.955497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.955497 (E_RNA)
where:
Base-Base interactions energy: -151.126
where: short stacking energy: -77.947
Base-Backbone interact. energy: -0.631
local terms energy: -85.198926
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -11.149
flat angles C4'-P-C4' energy: -20.969
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -21.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -224.044400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.044400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.044400 (E_RNA)
where:
Base-Base interactions energy: -142.016
where: short stacking energy: -57.040
Base-Backbone interact. energy: -0.404
local terms energy: -81.624354
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -10.462
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: 100
Temperature: 1.250000
Total energy: -145.352258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.352258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.352258 (E_RNA)
where:
Base-Base interactions energy: -79.332
where: short stacking energy: -45.844
Base-Backbone interact. energy: -0.332
local terms energy: -65.688158
where:
bonds (distance) C4'-P energy: -22.016
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: -4.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -121.037866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.037866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.037866 (E_RNA)
where:
Base-Base interactions energy: -58.073
where: short stacking energy: -54.818
Base-Backbone interact. energy: -0.020
local terms energy: -62.944998
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -10.723
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -7.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -109.658146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.658146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.658146 (E_RNA)
where:
Base-Base interactions energy: -48.848
where: short stacking energy: -48.848
Base-Backbone interact. energy: -0.212
local terms energy: -60.597972
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -9.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -339.010823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.010823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.010823 (E_RNA)
where:
Base-Base interactions energy: -229.680
where: short stacking energy: -97.200
Base-Backbone interact. energy: -0.317
local terms energy: -109.014016
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -21.881
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -16.349
tors. eta vs tors. theta energy: -26.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -320.464011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.464011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.464011 (E_RNA)
where:
Base-Base interactions energy: -222.943
where: short stacking energy: -92.847
Base-Backbone interact. energy: -0.238
local terms energy: -97.283215
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -22.547
flat angles C4'-P-C4' energy: -21.763
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -21.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -289.804950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.804950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.804950 (E_RNA)
where:
Base-Base interactions energy: -205.389
where: short stacking energy: -84.573
Base-Backbone interact. energy: 0.458
local terms energy: -84.873889
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -19.272
flat angles C4'-P-C4' energy: -21.096
flat angles P-C4'-P energy: -5.380
tors. eta vs tors. theta energy: -25.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -290.398939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.398939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.398939 (E_RNA)
where:
Base-Base interactions energy: -200.362
where: short stacking energy: -84.817
Base-Backbone interact. energy: -0.630
local terms energy: -89.407223
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -18.970
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -27.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -274.093624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.093624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.093624 (E_RNA)
where:
Base-Base interactions energy: -193.751
where: short stacking energy: -78.592
Base-Backbone interact. energy: -0.208
local terms energy: -80.134644
where:
bonds (distance) C4'-P energy: -17.640
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -19.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -261.060074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.060074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.060074 (E_RNA)
where:
Base-Base interactions energy: -180.235
where: short stacking energy: -68.716
Base-Backbone interact. energy: -0.863
local terms energy: -79.962316
where:
bonds (distance) C4'-P energy: -19.759
bonds (distance) P-C4' energy: -19.254
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -13.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -182.920785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.920785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.920785 (E_RNA)
where:
Base-Base interactions energy: -104.858
where: short stacking energy: -58.459
Base-Backbone interact. energy: -0.248
local terms energy: -77.815209
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -22.656
flat angles C4'-P-C4' energy: -21.898
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -8.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -123.619321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.619321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.619321 (E_RNA)
where:
Base-Base interactions energy: -47.520
where: short stacking energy: -40.423
Base-Backbone interact. energy: -0.907
local terms energy: -75.192647
where:
bonds (distance) C4'-P energy: -19.218
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -21.194
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -109.765241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.765241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.765241 (E_RNA)
where:
Base-Base interactions energy: -43.462
where: short stacking energy: -34.089
Base-Backbone interact. energy: -0.297
local terms energy: -66.005560
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -0.081
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: 5
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -102.953290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.953290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.953290 (E_RNA)
where:
Base-Base interactions energy: -38.795
where: short stacking energy: -34.673
Base-Backbone interact. energy: -0.127
local terms energy: -64.031757
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -19.666
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -9.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -325.468080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.468080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.468080 (E_RNA)
where:
Base-Base interactions energy: -222.753
where: short stacking energy: -98.637
Base-Backbone interact. energy: 1.204
local terms energy: -103.919362
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -21.996
flat angles C4'-P-C4' energy: -21.829
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -29.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -327.415519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.415519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.415519 (E_RNA)
where:
Base-Base interactions energy: -226.580
where: short stacking energy: -100.355
Base-Backbone interact. energy: -0.148
local terms energy: -100.687623
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -22.745
flat angles C4'-P-C4' energy: -22.466
flat angles P-C4'-P energy: -16.163
tors. eta vs tors. theta energy: -24.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -293.277257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.277257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.277257 (E_RNA)
where:
Base-Base interactions energy: -196.784
where: short stacking energy: -81.044
Base-Backbone interact. energy: -0.389
local terms energy: -96.104101
where:
bonds (distance) C4'-P energy: -23.134
bonds (distance) P-C4' energy: -22.287
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -19.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -296.256735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.256735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.256735 (E_RNA)
where:
Base-Base interactions energy: -198.624
where: short stacking energy: -83.909
Base-Backbone interact. energy: -0.477
local terms energy: -97.155995
where:
bonds (distance) C4'-P energy: -21.586
bonds (distance) P-C4' energy: -23.079
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -27.155
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: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -282.336198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.336198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.336198 (E_RNA)
where:
Base-Base interactions energy: -195.655
where: short stacking energy: -87.711
Base-Backbone interact. energy: -1.002
local terms energy: -85.678767
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -22.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -242.881938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.881938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.881938 (E_RNA)
where:
Base-Base interactions energy: -153.919
where: short stacking energy: -67.427
Base-Backbone interact. energy: -0.463
local terms energy: -88.499783
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -20.902
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -21.405
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: 6
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -182.753250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.753250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.753250 (E_RNA)
where:
Base-Base interactions energy: -105.203
where: short stacking energy: -54.942
Base-Backbone interact. energy: 0.974
local terms energy: -78.524050
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -15.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -136.318357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.318357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.318357 (E_RNA)
where:
Base-Base interactions energy: -77.637
where: short stacking energy: -39.757
Base-Backbone interact. energy: -0.864
local terms energy: -57.817192
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -12.939
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: 9, replica: 5
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -99.073008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.073008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.073008 (E_RNA)
where:
Base-Base interactions energy: -36.672
where: short stacking energy: -26.772
Base-Backbone interact. energy: -0.619
local terms energy: -61.781469
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: 2.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -92.075363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.075363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.075363 (E_RNA)
where:
Base-Base interactions energy: -26.966
where: short stacking energy: -20.117
Base-Backbone interact. energy: -0.630
local terms energy: -64.479993
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -20.300
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: 4.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -334.103417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.103417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.103417 (E_RNA)
where:
Base-Base interactions energy: -225.042
where: short stacking energy: -95.824
Base-Backbone interact. energy: -0.837
local terms energy: -108.224336
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -19.135
flat angles C4'-P-C4' energy: -23.167
flat angles P-C4'-P energy: -16.261
tors. eta vs tors. theta energy: -27.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -326.114972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.114972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.114972 (E_RNA)
where:
Base-Base interactions energy: -221.825
where: short stacking energy: -96.036
Base-Backbone interact. energy: -0.112
local terms energy: -104.178203
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -16.406
tors. eta vs tors. theta energy: -27.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -283.740672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.740672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.740672 (E_RNA)
where:
Base-Base interactions energy: -191.098
where: short stacking energy: -84.268
Base-Backbone interact. energy: -0.807
local terms energy: -91.835218
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -22.062
flat angles P-C4'-P energy: -16.514
tors. eta vs tors. theta energy: -21.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -301.444608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.444608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.444608 (E_RNA)
where:
Base-Base interactions energy: -207.424
where: short stacking energy: -90.655
Base-Backbone interact. energy: -0.491
local terms energy: -93.529581
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -19.026
flat angles C4'-P-C4' energy: -21.739
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -28.208
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: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -272.291872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.291872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.291872 (E_RNA)
where:
Base-Base interactions energy: -187.306
where: short stacking energy: -75.991
Base-Backbone interact. energy: -0.419
local terms energy: -84.566842
where:
bonds (distance) C4'-P energy: -19.996
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -9.507
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: 6, replica: 10
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -255.059044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.059044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.059044 (E_RNA)
where:
Base-Base interactions energy: -160.773
where: short stacking energy: -69.826
Base-Backbone interact. energy: 0.008
local terms energy: -94.293581
where:
bonds (distance) C4'-P energy: -21.106
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -21.034
flat angles P-C4'-P energy: -13.727
tors. eta vs tors. theta energy: -20.531
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: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -184.673952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.673952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.673952 (E_RNA)
where:
Base-Base interactions energy: -105.499
where: short stacking energy: -62.894
Base-Backbone interact. energy: 0.011
local terms energy: -79.186154
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -14.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -134.766654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.766654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.766654 (E_RNA)
where:
Base-Base interactions energy: -63.375
where: short stacking energy: -42.041
Base-Backbone interact. energy: 0.111
local terms energy: -71.502260
where:
bonds (distance) C4'-P energy: -19.073
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -15.233
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: 9, replica: 5
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -104.242200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.242200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.242200 (E_RNA)
where:
Base-Base interactions energy: -51.031
where: short stacking energy: -39.316
Base-Backbone interact. energy: -0.471
local terms energy: -52.739728
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -17.236
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -0.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -101.205801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.205801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.205801 (E_RNA)
where:
Base-Base interactions energy: -42.063
where: short stacking energy: -27.540
Base-Backbone interact. energy: -0.386
local terms energy: -58.755990
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -20.127
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -4.331
tors. eta vs tors. theta energy: -2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -332.342042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.342042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.342042 (E_RNA)
where:
Base-Base interactions energy: -231.213
where: short stacking energy: -95.687
Base-Backbone interact. energy: -0.927
local terms energy: -100.201266
where:
bonds (distance) C4'-P energy: -20.248
bonds (distance) P-C4' energy: -20.080
flat angles C4'-P-C4' energy: -22.528
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -24.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -324.519490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.519490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.519490 (E_RNA)
where:
Base-Base interactions energy: -215.983
where: short stacking energy: -92.685
Base-Backbone interact. energy: -0.679
local terms energy: -107.858254
where:
bonds (distance) C4'-P energy: -21.622
bonds (distance) P-C4' energy: -19.145
flat angles C4'-P-C4' energy: -23.601
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -27.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -307.505944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.505944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.505944 (E_RNA)
where:
Base-Base interactions energy: -207.230
where: short stacking energy: -86.097
Base-Backbone interact. energy: -0.160
local terms energy: -100.116267
where:
bonds (distance) C4'-P energy: -20.051
bonds (distance) P-C4' energy: -19.529
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -28.170
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: 3
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -276.874840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.874840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.874840 (E_RNA)
where:
Base-Base interactions energy: -182.653
where: short stacking energy: -74.276
Base-Backbone interact. energy: -0.227
local terms energy: -93.994188
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -21.081
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -17.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -270.034145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.034145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.034145 (E_RNA)
where:
Base-Base interactions energy: -181.682
where: short stacking energy: -79.683
Base-Backbone interact. energy: -1.957
local terms energy: -86.394237
where:
bonds (distance) C4'-P energy: -20.221
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -22.195
flat angles P-C4'-P energy: -8.815
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: 6, replica: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -258.228665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.228665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.228665 (E_RNA)
where:
Base-Base interactions energy: -173.481
where: short stacking energy: -65.805
Base-Backbone interact. energy: -0.547
local terms energy: -84.201005
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -15.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -205.937411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.937411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.937411 (E_RNA)
where:
Base-Base interactions energy: -121.933
where: short stacking energy: -60.116
Base-Backbone interact. energy: -0.352
local terms energy: -83.651978
where:
bonds (distance) C4'-P energy: -21.363
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -12.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -139.340585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.340585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.340585 (E_RNA)
where:
Base-Base interactions energy: -72.301
where: short stacking energy: -39.262
Base-Backbone interact. energy: -0.041
local terms energy: -66.998433
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -10.413
flat angles C4'-P-C4' energy: -19.284
flat angles P-C4'-P energy: -15.906
tors. eta vs tors. theta energy: -7.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -103.640744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.640744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.640744 (E_RNA)
where:
Base-Base interactions energy: -39.471
where: short stacking energy: -27.124
Base-Backbone interact. energy: -0.219
local terms energy: -63.950395
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -19.874
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -4.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -100.224427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.224427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.224427 (E_RNA)
where:
Base-Base interactions energy: -42.016
where: short stacking energy: -42.016
Base-Backbone interact. energy: 1.672
local terms energy: -59.880979
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -331.826039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.826039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.826039 (E_RNA)
where:
Base-Base interactions energy: -231.331
where: short stacking energy: -93.309
Base-Backbone interact. energy: -0.111
local terms energy: -100.383584
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -18.176
flat angles C4'-P-C4' energy: -23.634
flat angles P-C4'-P energy: -14.551
tors. eta vs tors. theta energy: -25.619
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: 2, replica: 1
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -306.028408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.028408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.028408 (E_RNA)
where:
Base-Base interactions energy: -202.845
where: short stacking energy: -98.156
Base-Backbone interact. energy: -0.522
local terms energy: -102.661579
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -21.424
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -27.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -314.750566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.750566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.750566 (E_RNA)
where:
Base-Base interactions energy: -211.669
where: short stacking energy: -86.950
Base-Backbone interact. energy: -0.226
local terms energy: -102.855405
where:
bonds (distance) C4'-P energy: -18.854
bonds (distance) P-C4' energy: -22.183
flat angles C4'-P-C4' energy: -21.571
flat angles P-C4'-P energy: -17.087
tors. eta vs tors. theta energy: -23.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -287.120244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.120244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.120244 (E_RNA)
where:
Base-Base interactions energy: -187.090
where: short stacking energy: -90.427
Base-Backbone interact. energy: -0.148
local terms energy: -99.882558
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -24.540
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -22.884
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: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -264.604120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.604120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.604120 (E_RNA)
where:
Base-Base interactions energy: -175.908
where: short stacking energy: -74.555
Base-Backbone interact. energy: -0.860
local terms energy: -87.836125
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -20.134
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -16.202
tors. eta vs tors. theta energy: -14.020
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: 6, replica: 2
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -262.116336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.116336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.116336 (E_RNA)
where:
Base-Base interactions energy: -176.279
where: short stacking energy: -65.082
Base-Backbone interact. energy: -0.353
local terms energy: -85.484496
where:
bonds (distance) C4'-P energy: -20.157
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -14.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -184.718325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.718325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.718325 (E_RNA)
where:
Base-Base interactions energy: -110.654
where: short stacking energy: -42.686
Base-Backbone interact. energy: -0.625
local terms energy: -73.439780
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -18.817
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -151.250098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.250098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.250098 (E_RNA)
where:
Base-Base interactions energy: -82.491
where: short stacking energy: -42.172
Base-Backbone interact. energy: -0.284
local terms energy: -68.474829
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -9.049
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: 9, replica: 4
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -127.890608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.890608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.890608 (E_RNA)
where:
Base-Base interactions energy: -55.342
where: short stacking energy: -42.448
Base-Backbone interact. energy: -0.340
local terms energy: -72.208671
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -4.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -99.318147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.318147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.318147 (E_RNA)
where:
Base-Base interactions energy: -34.952
where: short stacking energy: -32.594
Base-Backbone interact. energy: -0.115
local terms energy: -64.251130
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -8.742
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: 1, replica: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -309.325131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.325131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.325131 (E_RNA)
where:
Base-Base interactions energy: -201.960
where: short stacking energy: -87.418
Base-Backbone interact. energy: -1.518
local terms energy: -105.847619
where:
bonds (distance) C4'-P energy: -17.761
bonds (distance) P-C4' energy: -22.821
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: -28.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -336.180174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.180174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.180174 (E_RNA)
where:
Base-Base interactions energy: -235.049
where: short stacking energy: -97.122
Base-Backbone interact. energy: -0.062
local terms energy: -101.069458
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -21.220
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -31.050
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: 106
Temperature: 1.000000
Total energy: -313.517748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.517748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.517748 (E_RNA)
where:
Base-Base interactions energy: -211.285
where: short stacking energy: -96.596
Base-Backbone interact. energy: -1.134
local terms energy: -101.097950
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -20.491
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -29.103
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: 10
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -265.619096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.619096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.619096 (E_RNA)
where:
Base-Base interactions energy: -179.404
where: short stacking energy: -76.251
Base-Backbone interact. energy: -0.016
local terms energy: -86.198675
where:
bonds (distance) C4'-P energy: -18.606
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -14.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -279.037502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.037502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.037502 (E_RNA)
where:
Base-Base interactions energy: -190.092
where: short stacking energy: -81.907
Base-Backbone interact. energy: -0.073
local terms energy: -88.872922
where:
bonds (distance) C4'-P energy: -21.212
bonds (distance) P-C4' energy: -19.205
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -20.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -247.849350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.849350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.849350 (E_RNA)
where:
Base-Base interactions energy: -167.406
where: short stacking energy: -62.895
Base-Backbone interact. energy: 0.299
local terms energy: -80.742651
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -19.696
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: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -174.661800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.661800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.661800 (E_RNA)
where:
Base-Base interactions energy: -97.096
where: short stacking energy: -47.872
Base-Backbone interact. energy: -0.581
local terms energy: -76.984360
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -20.835
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: -4.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -131.300153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.300153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.300153 (E_RNA)
where:
Base-Base interactions energy: -63.482
where: short stacking energy: -55.115
Base-Backbone interact. energy: -1.534
local terms energy: -66.284283
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -8.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -104.426222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.426222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.426222 (E_RNA)
where:
Base-Base interactions energy: -39.625
where: short stacking energy: -39.625
Base-Backbone interact. energy: -0.055
local terms energy: -64.746526
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -20.455
flat angles P-C4'-P energy: -8.700
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: 4
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -110.331150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.331150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.331150 (E_RNA)
where:
Base-Base interactions energy: -38.074
where: short stacking energy: -36.953
Base-Backbone interact. energy: 0.085
local terms energy: -72.342525
where:
bonds (distance) C4'-P energy: -19.886
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -9.188
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: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -309.247575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.247575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.247575 (E_RNA)
where:
Base-Base interactions energy: -202.165
where: short stacking energy: -89.755
Base-Backbone interact. energy: -0.018
local terms energy: -107.064299
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -22.054
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -15.398
tors. eta vs tors. theta energy: -30.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -329.083454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.083454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.083454 (E_RNA)
where:
Base-Base interactions energy: -225.487
where: short stacking energy: -97.571
Base-Backbone interact. energy: 1.393
local terms energy: -104.990188
where:
bonds (distance) C4'-P energy: -20.054
bonds (distance) P-C4' energy: -22.940
flat angles C4'-P-C4' energy: -21.303
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -29.700
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: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -326.513956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.513956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.513956 (E_RNA)
where:
Base-Base interactions energy: -233.443
where: short stacking energy: -107.269
Base-Backbone interact. energy: 0.796
local terms energy: -93.866375
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -30.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -274.332014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.332014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.332014 (E_RNA)
where:
Base-Base interactions energy: -187.941
where: short stacking energy: -80.201
Base-Backbone interact. energy: -0.226
local terms energy: -86.165168
where:
bonds (distance) C4'-P energy: -20.871
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -18.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -275.683944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.683944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.683944 (E_RNA)
where:
Base-Base interactions energy: -192.572
where: short stacking energy: -74.577
Base-Backbone interact. energy: 0.155
local terms energy: -83.266922
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -22.935
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -17.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -229.355722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.355722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.355722 (E_RNA)
where:
Base-Base interactions energy: -146.264
where: short stacking energy: -63.157
Base-Backbone interact. energy: -0.225
local terms energy: -82.867161
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -18.919
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -17.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -194.179461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.179461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.179461 (E_RNA)
where:
Base-Base interactions energy: -107.622
where: short stacking energy: -62.605
Base-Backbone interact. energy: -0.132
local terms energy: -86.425085
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -21.353
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -12.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -115.052678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.052678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.052678 (E_RNA)
where:
Base-Base interactions energy: -36.877
where: short stacking energy: -29.694
Base-Backbone interact. energy: 0.080
local terms energy: -78.255338
where:
bonds (distance) C4'-P energy: -20.034
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -20.828
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -1.655
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: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -109.296379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.296379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.296379 (E_RNA)
where:
Base-Base interactions energy: -49.262
where: short stacking energy: -28.789
Base-Backbone interact. energy: 1.931
local terms energy: -61.964973
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -11.121
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: 10, replica: 4
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -96.186329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.186329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.186329 (E_RNA)
where:
Base-Base interactions energy: -37.888
where: short stacking energy: -33.976
Base-Backbone interact. energy: -0.230
local terms energy: -58.068369
where:
bonds (distance) C4'-P energy: -21.701
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -329.236662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.236662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.236662 (E_RNA)
where:
Base-Base interactions energy: -219.195
where: short stacking energy: -92.320
Base-Backbone interact. energy: -0.708
local terms energy: -109.334425
where:
bonds (distance) C4'-P energy: -22.255
bonds (distance) P-C4' energy: -21.474
flat angles C4'-P-C4' energy: -23.563
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -30.214
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: 2, replica: 1
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -312.784246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.784246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.784246 (E_RNA)
where:
Base-Base interactions energy: -207.721
where: short stacking energy: -84.290
Base-Backbone interact. energy: -0.002
local terms energy: -105.060679
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -21.032
flat angles P-C4'-P energy: -13.573
tors. eta vs tors. theta energy: -31.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -326.291484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.291484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.291484 (E_RNA)
where:
Base-Base interactions energy: -220.711
where: short stacking energy: -99.854
Base-Backbone interact. energy: -0.204
local terms energy: -105.376242
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -20.375
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -17.531
tors. eta vs tors. theta energy: -31.538
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: 4, replica: 10
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -270.449082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.449082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.449082 (E_RNA)
where:
Base-Base interactions energy: -177.618
where: short stacking energy: -79.294
Base-Backbone interact. energy: -0.032
local terms energy: -92.799491
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -21.598
flat angles C4'-P-C4' energy: -19.851
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -20.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -272.861911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.861911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.861911 (E_RNA)
where:
Base-Base interactions energy: -189.654
where: short stacking energy: -77.751
Base-Backbone interact. energy: -0.564
local terms energy: -82.643884
where:
bonds (distance) C4'-P energy: -22.136
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -15.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -245.925714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.925714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.925714 (E_RNA)
where:
Base-Base interactions energy: -168.611
where: short stacking energy: -69.119
Base-Backbone interact. energy: -0.238
local terms energy: -77.076727
where:
bonds (distance) C4'-P energy: -19.652
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -11.820
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: 7, replica: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -182.386936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.386936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.386936 (E_RNA)
where:
Base-Base interactions energy: -118.092
where: short stacking energy: -56.027
Base-Backbone interact. energy: -0.532
local terms energy: -63.763045
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -3.352
tors. eta vs tors. theta energy: -3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -122.017495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.017495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.017495 (E_RNA)
where:
Base-Base interactions energy: -47.848
where: short stacking energy: -34.412
Base-Backbone interact. energy: -0.018
local terms energy: -74.150666
where:
bonds (distance) C4'-P energy: -21.572
bonds (distance) P-C4' energy: -21.870
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -2.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -109.733633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.733633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.733633 (E_RNA)
where:
Base-Base interactions energy: -51.557
where: short stacking energy: -38.810
Base-Backbone interact. energy: 1.422
local terms energy: -59.598663
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -2.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -92.771891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.771891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.771891 (E_RNA)
where:
Base-Base interactions energy: -39.133
where: short stacking energy: -27.731
Base-Backbone interact. energy: 0.383
local terms energy: -54.022134
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -20.499
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: 4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -344.894359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.894359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.894359 (E_RNA)
where:
Base-Base interactions energy: -241.258
where: short stacking energy: -100.627
Base-Backbone interact. energy: -0.144
local terms energy: -103.492463
where:
bonds (distance) C4'-P energy: -20.543
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -22.305
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -25.916
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: 7
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -326.082947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.082947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.082947 (E_RNA)
where:
Base-Base interactions energy: -224.001
where: short stacking energy: -91.915
Base-Backbone interact. energy: 0.420
local terms energy: -102.502905
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -21.419
flat angles C4'-P-C4' energy: -22.035
flat angles P-C4'-P energy: -15.875
tors. eta vs tors. theta energy: -26.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -297.698205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.698205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.698205 (E_RNA)
where:
Base-Base interactions energy: -203.018
where: short stacking energy: -95.746
Base-Backbone interact. energy: -0.092
local terms energy: -94.587829
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -22.730
flat angles P-C4'-P energy: -15.386
tors. eta vs tors. theta energy: -31.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -267.254220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.254220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.254220 (E_RNA)
where:
Base-Base interactions energy: -177.980
where: short stacking energy: -74.391
Base-Backbone interact. energy: 0.112
local terms energy: -89.386038
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -19.617
flat angles C4'-P-C4' energy: -18.521
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -19.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -275.759697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.759697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.759697 (E_RNA)
where:
Base-Base interactions energy: -179.802
where: short stacking energy: -87.596
Base-Backbone interact. energy: -0.073
local terms energy: -95.884039
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -13.961
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: 6, replica: 2
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -230.774395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.774395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.774395 (E_RNA)
where:
Base-Base interactions energy: -153.294
where: short stacking energy: -63.335
Base-Backbone interact. energy: -0.463
local terms energy: -77.016590
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -9.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -192.652357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.652357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.652357 (E_RNA)
where:
Base-Base interactions energy: -108.692
where: short stacking energy: -46.983
Base-Backbone interact. energy: -0.276
local terms energy: -83.684614
where:
bonds (distance) C4'-P energy: -21.445
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -8.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -122.308738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.308738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.308738 (E_RNA)
where:
Base-Base interactions energy: -57.494
where: short stacking energy: -36.025
Base-Backbone interact. energy: 0.498
local terms energy: -65.312211
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -16.742
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -2.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -114.624443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.624443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.624443 (E_RNA)
where:
Base-Base interactions energy: -49.741
where: short stacking energy: -29.985
Base-Backbone interact. energy: -0.498
local terms energy: -64.385707
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: 0.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -102.289234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.289234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.289234 (E_RNA)
where:
Base-Base interactions energy: -39.445
where: short stacking energy: -35.403
Base-Backbone interact. energy: -0.130
local terms energy: -62.713767
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -3.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -332.375791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.375791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.375791 (E_RNA)
where:
Base-Base interactions energy: -230.985
where: short stacking energy: -105.570
Base-Backbone interact. energy: -0.118
local terms energy: -101.272681
where:
bonds (distance) C4'-P energy: -22.579
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -19.913
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -27.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -327.729780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.729780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.729780 (E_RNA)
where:
Base-Base interactions energy: -222.459
where: short stacking energy: -87.039
Base-Backbone interact. energy: -0.213
local terms energy: -105.057825
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -23.585
flat angles P-C4'-P energy: -16.584
tors. eta vs tors. theta energy: -25.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -291.581319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.581319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.581319 (E_RNA)
where:
Base-Base interactions energy: -191.339
where: short stacking energy: -81.800
Base-Backbone interact. energy: -0.360
local terms energy: -99.881672
where:
bonds (distance) C4'-P energy: -20.592
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -21.801
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: 110
Temperature: 1.050000
Total energy: -278.599315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.599315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.599315 (E_RNA)
where:
Base-Base interactions energy: -179.709
where: short stacking energy: -71.806
Base-Backbone interact. energy: -0.710
local terms energy: -98.180261
where:
bonds (distance) C4'-P energy: -19.987
bonds (distance) P-C4' energy: -22.783
flat angles C4'-P-C4' energy: -22.884
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -25.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -275.054184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.054184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.054184 (E_RNA)
where:
Base-Base interactions energy: -192.678
where: short stacking energy: -83.365
Base-Backbone interact. energy: -0.190
local terms energy: -82.186612
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -7.676
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: 6, replica: 2
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -254.739329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.739329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.739329 (E_RNA)
where:
Base-Base interactions energy: -179.478
where: short stacking energy: -67.666
Base-Backbone interact. energy: -0.397
local terms energy: -74.864235
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -15.072
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: 6
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -218.589777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.589777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.589777 (E_RNA)
where:
Base-Base interactions energy: -147.151
where: short stacking energy: -63.548
Base-Backbone interact. energy: -0.113
local terms energy: -71.325793
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -12.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -117.839101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.839101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.839101 (E_RNA)
where:
Base-Base interactions energy: -43.602
where: short stacking energy: -43.602
Base-Backbone interact. energy: -0.279
local terms energy: -73.957783
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: -6.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -132.607543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.607543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.607543 (E_RNA)
where:
Base-Base interactions energy: -75.648
where: short stacking energy: -34.385
Base-Backbone interact. energy: -1.145
local terms energy: -55.814707
where:
bonds (distance) C4'-P energy: -9.935
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -97.952495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.952495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.952495 (E_RNA)
where:
Base-Base interactions energy: -30.696
where: short stacking energy: -20.181
Base-Backbone interact. energy: 0.562
local terms energy: -67.818759
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -13.291
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: 1, replica: 7
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -326.048913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.048913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.048913 (E_RNA)
where:
Base-Base interactions energy: -228.102
where: short stacking energy: -99.296
Base-Backbone interact. energy: -0.218
local terms energy: -97.729506
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -22.835
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -30.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -310.163989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.163989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.163989 (E_RNA)
where:
Base-Base interactions energy: -215.707
where: short stacking energy: -93.234
Base-Backbone interact. energy: -1.363
local terms energy: -93.093560
where:
bonds (distance) C4'-P energy: -21.639
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -21.259
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -20.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -313.516121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.516121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.516121 (E_RNA)
where:
Base-Base interactions energy: -213.659
where: short stacking energy: -88.489
Base-Backbone interact. energy: -0.031
local terms energy: -99.826656
where:
bonds (distance) C4'-P energy: -18.639
bonds (distance) P-C4' energy: -19.522
flat angles C4'-P-C4' energy: -21.593
flat angles P-C4'-P energy: -15.314
tors. eta vs tors. theta energy: -24.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -277.523458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.523458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.523458 (E_RNA)
where:
Base-Base interactions energy: -187.046
where: short stacking energy: -78.993
Base-Backbone interact. energy: -0.276
local terms energy: -90.200825
where:
bonds (distance) C4'-P energy: -19.748
bonds (distance) P-C4' energy: -21.136
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: -21.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -290.183364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.183364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.183364 (E_RNA)
where:
Base-Base interactions energy: -194.466
where: short stacking energy: -82.009
Base-Backbone interact. energy: -0.065
local terms energy: -95.651685
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -15.180
tors. eta vs tors. theta energy: -25.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -250.304171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.304171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.304171 (E_RNA)
where:
Base-Base interactions energy: -164.035
where: short stacking energy: -70.577
Base-Backbone interact. energy: -0.883
local terms energy: -85.385267
where:
bonds (distance) C4'-P energy: -19.651
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -18.621
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: 6
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -225.928594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.928594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.928594 (E_RNA)
where:
Base-Base interactions energy: -139.906
where: short stacking energy: -57.782
Base-Backbone interact. energy: -0.356
local terms energy: -85.665872
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -23.625
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -15.001
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: 8, replica: 5
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -126.908933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.908933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.908933 (E_RNA)
where:
Base-Base interactions energy: -71.483
where: short stacking energy: -38.359
Base-Backbone interact. energy: -0.663
local terms energy: -54.763119
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: -1.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -113.708675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.708675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.708675 (E_RNA)
where:
Base-Base interactions energy: -48.596
where: short stacking energy: -48.449
Base-Backbone interact. energy: 0.715
local terms energy: -65.828078
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -4.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -112.151218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.151218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.151218 (E_RNA)
where:
Base-Base interactions energy: -47.310
where: short stacking energy: -38.780
Base-Backbone interact. energy: -0.170
local terms energy: -64.671214
where:
bonds (distance) C4'-P energy: -17.597
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -329.926049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.926049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.926049 (E_RNA)
where:
Base-Base interactions energy: -227.748
where: short stacking energy: -105.046
Base-Backbone interact. energy: -0.091
local terms energy: -102.086897
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -23.281
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -31.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -306.196660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.196660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.196660 (E_RNA)
where:
Base-Base interactions energy: -212.724
where: short stacking energy: -85.373
Base-Backbone interact. energy: -0.512
local terms energy: -92.960784
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -16.366
flat angles C4'-P-C4' energy: -22.032
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -24.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -294.967688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.967688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.967688 (E_RNA)
where:
Base-Base interactions energy: -208.986
where: short stacking energy: -88.249
Base-Backbone interact. energy: -0.070
local terms energy: -85.911915
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -20.223
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -21.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -319.989935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.989935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.989935 (E_RNA)
where:
Base-Base interactions energy: -225.654
where: short stacking energy: -97.663
Base-Backbone interact. energy: -0.213
local terms energy: -94.123221
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -20.773
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -25.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -287.683295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.683295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.683295 (E_RNA)
where:
Base-Base interactions energy: -198.360
where: short stacking energy: -79.951
Base-Backbone interact. energy: -0.601
local terms energy: -88.722159
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -20.269
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -27.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -282.575053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.575053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.575053 (E_RNA)
where:
Base-Base interactions energy: -185.244
where: short stacking energy: -80.876
Base-Backbone interact. energy: -0.381
local terms energy: -96.949895
where:
bonds (distance) C4'-P energy: -22.286
bonds (distance) P-C4' energy: -22.404
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -22.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -224.412055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.412055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.412055 (E_RNA)
where:
Base-Base interactions energy: -142.993
where: short stacking energy: -71.183
Base-Backbone interact. energy: -0.152
local terms energy: -81.267383
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -17.965
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: 8, replica: 5
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -117.084709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.084709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.084709 (E_RNA)
where:
Base-Base interactions energy: -53.537
where: short stacking energy: -34.449
Base-Backbone interact. energy: -0.032
local terms energy: -63.516307
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -19.431
flat angles P-C4'-P energy: -3.896
tors. eta vs tors. theta energy: -6.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -120.397886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.397886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.397886 (E_RNA)
where:
Base-Base interactions energy: -61.017
where: short stacking energy: -36.541
Base-Backbone interact. energy: -0.578
local terms energy: -58.802326
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: 0.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -144.596786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.596786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.596786 (E_RNA)
where:
Base-Base interactions energy: -68.336
where: short stacking energy: -37.607
Base-Backbone interact. energy: -0.159
local terms energy: -76.101311
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -20.345
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -8.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -331.799728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.799728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.799728 (E_RNA)
where:
Base-Base interactions energy: -230.389
where: short stacking energy: -101.909
Base-Backbone interact. energy: -0.615
local terms energy: -100.795144
where:
bonds (distance) C4'-P energy: -19.132
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -21.190
flat angles P-C4'-P energy: -15.039
tors. eta vs tors. theta energy: -28.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -292.584106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.584106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.584106 (E_RNA)
where:
Base-Base interactions energy: -199.388
where: short stacking energy: -87.993
Base-Backbone interact. energy: -0.184
local terms energy: -93.011326
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -23.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -301.531910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.531910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.531910 (E_RNA)
where:
Base-Base interactions energy: -211.880
where: short stacking energy: -81.240
Base-Backbone interact. energy: -1.344
local terms energy: -88.308284
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -23.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -324.632159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.632159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.632159 (E_RNA)
where:
Base-Base interactions energy: -219.485
where: short stacking energy: -95.222
Base-Backbone interact. energy: 1.135
local terms energy: -106.282086
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -20.657
flat angles C4'-P-C4' energy: -21.232
flat angles P-C4'-P energy: -18.190
tors. eta vs tors. theta energy: -28.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -293.717620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.717620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.717620 (E_RNA)
where:
Base-Base interactions energy: -192.923
where: short stacking energy: -86.508
Base-Backbone interact. energy: -0.114
local terms energy: -100.681005
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -22.287
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -27.728
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: 6
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -243.209356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.209356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.209356 (E_RNA)
where:
Base-Base interactions energy: -162.333
where: short stacking energy: -80.632
Base-Backbone interact. energy: -0.315
local terms energy: -80.561672
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -21.899
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -10.002
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: 7, replica: 2
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -275.083514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.083514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.083514 (E_RNA)
where:
Base-Base interactions energy: -189.763
where: short stacking energy: -84.839
Base-Backbone interact. energy: -0.312
local terms energy: -85.008809
where:
bonds (distance) C4'-P energy: -10.196
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -20.704
flat angles P-C4'-P energy: -15.123
tors. eta vs tors. theta energy: -21.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -120.740796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.740796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.740796 (E_RNA)
where:
Base-Base interactions energy: -56.015
where: short stacking energy: -51.441
Base-Backbone interact. energy: -0.266
local terms energy: -64.460133
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -5.768
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: 9, replica: 5
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -104.285203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.285203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.285203 (E_RNA)
where:
Base-Base interactions energy: -43.882
where: short stacking energy: -23.388
Base-Backbone interact. energy: 0.917
local terms energy: -61.319940
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -6.910
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: 10, replica: 4
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -111.151846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.151846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.151846 (E_RNA)
where:
Base-Base interactions energy: -39.922
where: short stacking energy: -27.333
Base-Backbone interact. energy: -0.226
local terms energy: -71.003506
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -21.550
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -4.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -306.189195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.189195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.189195 (E_RNA)
where:
Base-Base interactions energy: -204.043
where: short stacking energy: -88.070
Base-Backbone interact. energy: 0.092
local terms energy: -102.238020
where:
bonds (distance) C4'-P energy: -23.631
bonds (distance) P-C4' energy: -22.880
flat angles C4'-P-C4' energy: -19.114
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -24.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -316.929030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.929030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.929030 (E_RNA)
where:
Base-Base interactions energy: -213.396
where: short stacking energy: -90.454
Base-Backbone interact. energy: -0.085
local terms energy: -103.447114
where:
bonds (distance) C4'-P energy: -18.597
bonds (distance) P-C4' energy: -19.057
flat angles C4'-P-C4' energy: -24.145
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -28.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -318.166012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.166012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.166012 (E_RNA)
where:
Base-Base interactions energy: -217.043
where: short stacking energy: -80.741
Base-Backbone interact. energy: -0.310
local terms energy: -100.813110
where:
bonds (distance) C4'-P energy: -18.662
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -16.083
tors. eta vs tors. theta energy: -22.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -301.300257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.300257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.300257 (E_RNA)
where:
Base-Base interactions energy: -210.923
where: short stacking energy: -84.816
Base-Backbone interact. energy: -0.375
local terms energy: -90.002137
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -10.378
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: 5, replica: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -251.551381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.551381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.551381 (E_RNA)
where:
Base-Base interactions energy: -165.990
where: short stacking energy: -85.500
Base-Backbone interact. energy: -0.488
local terms energy: -85.072976
where:
bonds (distance) C4'-P energy: -8.592
bonds (distance) P-C4' energy: -23.095
flat angles C4'-P-C4' energy: -22.298
flat angles P-C4'-P energy: -11.793
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: 6, replica: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -276.639996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.639996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.639996 (E_RNA)
where:
Base-Base interactions energy: -186.962
where: short stacking energy: -76.851
Base-Backbone interact. energy: -0.099
local terms energy: -89.579379
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -20.358
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -23.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -293.427654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.427654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.427654 (E_RNA)
where:
Base-Base interactions energy: -197.010
where: short stacking energy: -85.235
Base-Backbone interact. energy: -0.094
local terms energy: -96.322821
where:
bonds (distance) C4'-P energy: -20.203
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -20.893
flat angles P-C4'-P energy: -11.217
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: 8, replica: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -115.890389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.890389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.890389 (E_RNA)
where:
Base-Base interactions energy: -48.490
where: short stacking energy: -36.327
Base-Backbone interact. energy: -0.324
local terms energy: -67.076089
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -19.811
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -0.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -151.859795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.859795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.859795 (E_RNA)
where:
Base-Base interactions energy: -85.939
where: short stacking energy: -57.015
Base-Backbone interact. energy: -0.142
local terms energy: -65.779032
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -2.707
tors. eta vs tors. theta energy: -11.428
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: 5
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -109.003824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.003824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.003824 (E_RNA)
where:
Base-Base interactions energy: -37.639
where: short stacking energy: -30.743
Base-Backbone interact. energy: -0.639
local terms energy: -70.725216
where:
bonds (distance) C4'-P energy: -18.734
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -4.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -308.022158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.022158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.022158 (E_RNA)
where:
Base-Base interactions energy: -211.687
where: short stacking energy: -89.395
Base-Backbone interact. energy: -1.391
local terms energy: -94.943862
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -22.783
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -22.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -321.759914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.759914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.759914 (E_RNA)
where:
Base-Base interactions energy: -220.939
where: short stacking energy: -91.958
Base-Backbone interact. energy: -0.126
local terms energy: -100.694952
where:
bonds (distance) C4'-P energy: -20.804
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -21.119
flat angles P-C4'-P energy: -15.007
tors. eta vs tors. theta energy: -27.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -325.600536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.600536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.600536 (E_RNA)
where:
Base-Base interactions energy: -225.680
where: short stacking energy: -96.339
Base-Backbone interact. energy: -0.033
local terms energy: -99.887449
where:
bonds (distance) C4'-P energy: -21.287
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -28.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -298.793478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.793478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.793478 (E_RNA)
where:
Base-Base interactions energy: -202.048
where: short stacking energy: -83.597
Base-Backbone interact. energy: -2.011
local terms energy: -94.734121
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -18.910
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -25.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -226.591054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.591054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.591054 (E_RNA)
where:
Base-Base interactions energy: -143.640
where: short stacking energy: -58.803
Base-Backbone interact. energy: 0.704
local terms energy: -83.655571
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -15.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -307.378424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.378424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.378424 (E_RNA)
where:
Base-Base interactions energy: -209.446
where: short stacking energy: -89.800
Base-Backbone interact. energy: -0.664
local terms energy: -97.268571
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -21.565
flat angles C4'-P-C4' energy: -24.047
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -21.101
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: 1
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -261.551383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.551383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.551383 (E_RNA)
where:
Base-Base interactions energy: -178.108
where: short stacking energy: -72.558
Base-Backbone interact. energy: -0.184
local terms energy: -83.259146
where:
bonds (distance) C4'-P energy: -19.235
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -19.600
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -22.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -179.079715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.079715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.079715 (E_RNA)
where:
Base-Base interactions energy: -106.770
where: short stacking energy: -56.736
Base-Backbone interact. energy: 0.296
local terms energy: -72.605670
where:
bonds (distance) C4'-P energy: -19.175
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -10.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -106.750871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.750871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.750871 (E_RNA)
where:
Base-Base interactions energy: -49.445
where: short stacking energy: -46.783
Base-Backbone interact. energy: -0.174
local terms energy: -57.131664
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -13.255
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -5.415
tors. eta vs tors. theta energy: -5.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -98.910045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.910045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.910045 (E_RNA)
where:
Base-Base interactions energy: -45.736
where: short stacking energy: -21.478
Base-Backbone interact. energy: -1.111
local terms energy: -52.062686
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -21.817
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: 2.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -331.916551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.916551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.916551 (E_RNA)
where:
Base-Base interactions energy: -225.429
where: short stacking energy: -97.416
Base-Backbone interact. energy: -0.245
local terms energy: -106.243296
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -21.869
flat angles C4'-P-C4' energy: -20.123
flat angles P-C4'-P energy: -17.666
tors. eta vs tors. theta energy: -27.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -313.417334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.417334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.417334 (E_RNA)
where:
Base-Base interactions energy: -214.266
where: short stacking energy: -88.515
Base-Backbone interact. energy: -1.536
local terms energy: -97.615059
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -20.850
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -22.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -309.648161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.648161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.648161 (E_RNA)
where:
Base-Base interactions energy: -204.857
where: short stacking energy: -82.301
Base-Backbone interact. energy: -0.764
local terms energy: -104.026526
where:
bonds (distance) C4'-P energy: -18.469
bonds (distance) P-C4' energy: -21.740
flat angles C4'-P-C4' energy: -20.901
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: -26.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -281.130132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.130132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.130132 (E_RNA)
where:
Base-Base interactions energy: -187.646
where: short stacking energy: -72.740
Base-Backbone interact. energy: -0.606
local terms energy: -92.878482
where:
bonds (distance) C4'-P energy: -23.792
bonds (distance) P-C4' energy: -20.536
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -13.571
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: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -308.148334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.148334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.148334 (E_RNA)
where:
Base-Base interactions energy: -210.436
where: short stacking energy: -88.346
Base-Backbone interact. energy: -0.075
local terms energy: -97.637205
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -20.540
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -24.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -230.107261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.107261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.107261 (E_RNA)
where:
Base-Base interactions energy: -151.140
where: short stacking energy: -77.090
Base-Backbone interact. energy: -0.116
local terms energy: -78.851090
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -15.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -224.217847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.217847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.217847 (E_RNA)
where:
Base-Base interactions energy: -142.603
where: short stacking energy: -75.980
Base-Backbone interact. energy: -0.047
local terms energy: -81.567760
where:
bonds (distance) C4'-P energy: -20.108
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -20.141
flat angles P-C4'-P energy: -6.019
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: 8, replica: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -200.923125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.923125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.923125 (E_RNA)
where:
Base-Base interactions energy: -124.372
where: short stacking energy: -58.640
Base-Backbone interact. energy: -0.250
local terms energy: -76.301002
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -9.798
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: 9, replica: 5
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -115.644911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.644911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.644911 (E_RNA)
where:
Base-Base interactions energy: -56.847
where: short stacking energy: -21.029
Base-Backbone interact. energy: -0.575
local terms energy: -58.222874
where:
bonds (distance) C4'-P energy: -7.519
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -16.390
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: 10, replica: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -110.731772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.731772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.731772 (E_RNA)
where:
Base-Base interactions energy: -56.478
where: short stacking energy: -41.054
Base-Backbone interact. energy: -0.201
local terms energy: -54.052998
where:
bonds (distance) C4'-P energy: -18.137
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -1.390
tors. eta vs tors. theta energy: -3.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -327.091291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.091291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.091291 (E_RNA)
where:
Base-Base interactions energy: -226.505
where: short stacking energy: -96.256
Base-Backbone interact. energy: -0.313
local terms energy: -100.273445
where:
bonds (distance) C4'-P energy: -21.498
bonds (distance) P-C4' energy: -20.108
flat angles C4'-P-C4' energy: -20.537
flat angles P-C4'-P energy: -12.784
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: 2, replica: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -320.509813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.509813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.509813 (E_RNA)
where:
Base-Base interactions energy: -220.567
where: short stacking energy: -89.733
Base-Backbone interact. energy: -0.635
local terms energy: -99.307461
where:
bonds (distance) C4'-P energy: -20.988
bonds (distance) P-C4' energy: -18.535
flat angles C4'-P-C4' energy: -20.425
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -25.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -309.866280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.866280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.866280 (E_RNA)
where:
Base-Base interactions energy: -218.129
where: short stacking energy: -89.678
Base-Backbone interact. energy: -1.525
local terms energy: -90.212115
where:
bonds (distance) C4'-P energy: -18.237
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -24.277
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -24.317
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: 2
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -317.840560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.840560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.840560 (E_RNA)
where:
Base-Base interactions energy: -218.799
where: short stacking energy: -99.328
Base-Backbone interact. energy: -0.328
local terms energy: -98.713712
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -21.783
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -28.906
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: 3
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -287.505345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.505345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.505345 (E_RNA)
where:
Base-Base interactions energy: -197.651
where: short stacking energy: -78.422
Base-Backbone interact. energy: 1.367
local terms energy: -91.221567
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -21.938
flat angles C4'-P-C4' energy: -20.880
flat angles P-C4'-P energy: -4.889
tors. eta vs tors. theta energy: -24.400
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: 6, replica: 1
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -229.355213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.355213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.355213 (E_RNA)
where:
Base-Base interactions energy: -154.277
where: short stacking energy: -76.152
Base-Backbone interact. energy: -0.161
local terms energy: -74.917282
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -12.210
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: 6
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -221.992901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.992901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.992901 (E_RNA)
where:
Base-Base interactions energy: -136.854
where: short stacking energy: -65.202
Base-Backbone interact. energy: -0.868
local terms energy: -84.270286
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -23.621
flat angles C4'-P-C4' energy: -22.998
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -202.788341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.788341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.788341 (E_RNA)
where:
Base-Base interactions energy: -119.692
where: short stacking energy: -50.485
Base-Backbone interact. energy: 0.596
local terms energy: -83.691985
where:
bonds (distance) C4'-P energy: -19.789
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -15.938
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: 9, replica: 5
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -113.844994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.844994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.844994 (E_RNA)
where:
Base-Base interactions energy: -38.499
where: short stacking energy: -34.977
Base-Backbone interact. energy: 0.144
local terms energy: -75.489996
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -11.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -97.855023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.855023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.855023 (E_RNA)
where:
Base-Base interactions energy: -39.908
where: short stacking energy: -35.330
Base-Backbone interact. energy: -0.044
local terms energy: -57.902782
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -9.479
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -7.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -321.055296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.055296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.055296 (E_RNA)
where:
Base-Base interactions energy: -218.609
where: short stacking energy: -92.521
Base-Backbone interact. energy: 0.024
local terms energy: -102.469632
where:
bonds (distance) C4'-P energy: -20.235
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -26.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -329.789446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.789446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.789446 (E_RNA)
where:
Base-Base interactions energy: -221.669
where: short stacking energy: -95.366
Base-Backbone interact. energy: -0.168
local terms energy: -107.952317
where:
bonds (distance) C4'-P energy: -21.193
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -22.202
flat angles P-C4'-P energy: -14.910
tors. eta vs tors. theta energy: -29.004
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: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -316.835358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.835358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.835358 (E_RNA)
where:
Base-Base interactions energy: -210.090
where: short stacking energy: -94.565
Base-Backbone interact. energy: -0.210
local terms energy: -106.536104
where:
bonds (distance) C4'-P energy: -19.446
bonds (distance) P-C4' energy: -21.981
flat angles C4'-P-C4' energy: -22.217
flat angles P-C4'-P energy: -16.487
tors. eta vs tors. theta energy: -26.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -300.912669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.912669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.912669 (E_RNA)
where:
Base-Base interactions energy: -207.139
where: short stacking energy: -87.029
Base-Backbone interact. energy: -0.058
local terms energy: -93.716029
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -25.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -259.985172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.985172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.985172 (E_RNA)
where:
Base-Base interactions energy: -176.032
where: short stacking energy: -68.732
Base-Backbone interact. energy: 0.195
local terms energy: -84.148246
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -21.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -197.178947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.178947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.178947 (E_RNA)
where:
Base-Base interactions energy: -114.446
where: short stacking energy: -51.649
Base-Backbone interact. energy: -0.193
local terms energy: -82.539623
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -21.468
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -12.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -209.171365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.171365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.171365 (E_RNA)
where:
Base-Base interactions energy: -141.440
where: short stacking energy: -61.234
Base-Backbone interact. energy: -0.660
local terms energy: -67.071010
where:
bonds (distance) C4'-P energy: -8.186
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -14.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -182.134759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.134759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.134759 (E_RNA)
where:
Base-Base interactions energy: -104.903
where: short stacking energy: -50.696
Base-Backbone interact. energy: -0.428
local terms energy: -76.804285
where:
bonds (distance) C4'-P energy: -22.704
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -101.010370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.010370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.010370 (E_RNA)
where:
Base-Base interactions energy: -39.615
where: short stacking energy: -35.572
Base-Backbone interact. energy: -0.204
local terms energy: -61.191809
where:
bonds (distance) C4'-P energy: -10.101
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -1.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -111.956752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.956752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.956752 (E_RNA)
where:
Base-Base interactions energy: -63.703
where: short stacking energy: -33.200
Base-Backbone interact. energy: -0.188
local terms energy: -48.065047
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -9.595
flat angles P-C4'-P energy: -4.969
tors. eta vs tors. theta energy: -6.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -340.785270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.785270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.785270 (E_RNA)
where:
Base-Base interactions energy: -229.635
where: short stacking energy: -101.932
Base-Backbone interact. energy: -0.820
local terms energy: -110.330675
where:
bonds (distance) C4'-P energy: -22.385
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -21.199
flat angles P-C4'-P energy: -16.893
tors. eta vs tors. theta energy: -27.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -325.588261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.588261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.588261 (E_RNA)
where:
Base-Base interactions energy: -225.738
where: short stacking energy: -97.422
Base-Backbone interact. energy: -0.501
local terms energy: -99.348924
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -21.636
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -28.198
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: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -329.961897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.961897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.961897 (E_RNA)
where:
Base-Base interactions energy: -225.170
where: short stacking energy: -98.916
Base-Backbone interact. energy: -0.353
local terms energy: -104.439150
where:
bonds (distance) C4'-P energy: -21.379
bonds (distance) P-C4' energy: -19.276
flat angles C4'-P-C4' energy: -22.570
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -26.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -293.552636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.552636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.552636 (E_RNA)
where:
Base-Base interactions energy: -205.494
where: short stacking energy: -85.657
Base-Backbone interact. energy: -0.628
local terms energy: -87.430816
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -21.693
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -18.510
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: 5, replica: 3
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -270.517770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.517770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.517770 (E_RNA)
where:
Base-Base interactions energy: -180.798
where: short stacking energy: -70.820
Base-Backbone interact. energy: -0.086
local terms energy: -89.633705
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -15.027
tors. eta vs tors. theta energy: -21.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -233.756864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.756864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.756864 (E_RNA)
where:
Base-Base interactions energy: -148.945
where: short stacking energy: -66.121
Base-Backbone interact. energy: -0.545
local terms energy: -84.267442
where:
bonds (distance) C4'-P energy: -18.784
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -20.316
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -15.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -198.325480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.325480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.325480 (E_RNA)
where:
Base-Base interactions energy: -117.764
where: short stacking energy: -51.240
Base-Backbone interact. energy: -0.016
local terms energy: -80.544730
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -19.326
flat angles C4'-P-C4' energy: -19.844
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -15.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -175.619595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.619595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.619595 (E_RNA)
where:
Base-Base interactions energy: -116.205
where: short stacking energy: -54.367
Base-Backbone interact. energy: -0.482
local terms energy: -58.933040
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -7.492
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: 9, replica: 5
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -115.384698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.384698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.384698 (E_RNA)
where:
Base-Base interactions energy: -46.887
where: short stacking energy: -46.286
Base-Backbone interact. energy: -0.113
local terms energy: -68.384387
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -19.722
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -7.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -110.730642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.730642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.730642 (E_RNA)
where:
Base-Base interactions energy: -60.382
where: short stacking energy: -33.565
Base-Backbone interact. energy: -1.089
local terms energy: -49.259130
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -17.938
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: 2.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -328.344353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.344353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.344353 (E_RNA)
where:
Base-Base interactions energy: -228.987
where: short stacking energy: -95.374
Base-Backbone interact. energy: -0.310
local terms energy: -99.047845
where:
bonds (distance) C4'-P energy: -19.226
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -18.800
flat angles P-C4'-P energy: -15.177
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: 120
Temperature: 0.950000
Total energy: -331.730359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.730359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.730359 (E_RNA)
where:
Base-Base interactions energy: -228.230
where: short stacking energy: -93.990
Base-Backbone interact. energy: -0.099
local terms energy: -103.401261
where:
bonds (distance) C4'-P energy: -18.428
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -21.677
flat angles P-C4'-P energy: -16.702
tors. eta vs tors. theta energy: -25.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -318.418356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.418356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.418356 (E_RNA)
where:
Base-Base interactions energy: -220.552
where: short stacking energy: -93.803
Base-Backbone interact. energy: -0.212
local terms energy: -97.654458
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -19.241
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -25.777
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: 4, replica: 10
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -288.136906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.136906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.136906 (E_RNA)
where:
Base-Base interactions energy: -202.056
where: short stacking energy: -87.759
Base-Backbone interact. energy: -0.929
local terms energy: -85.151117
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -23.019
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: 5, replica: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -267.641833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.641833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.641833 (E_RNA)
where:
Base-Base interactions energy: -182.876
where: short stacking energy: -68.115
Base-Backbone interact. energy: -0.189
local terms energy: -84.576866
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -22.708
flat angles C4'-P-C4' energy: -19.756
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -15.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -250.890952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.890952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.890952 (E_RNA)
where:
Base-Base interactions energy: -166.656
where: short stacking energy: -84.356
Base-Backbone interact. energy: 0.233
local terms energy: -84.467683
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -20.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -187.586910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.586910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.586910 (E_RNA)
where:
Base-Base interactions energy: -118.994
where: short stacking energy: -49.173
Base-Backbone interact. energy: 2.150
local terms energy: -70.742426
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -13.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -168.679915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.679915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.679915 (E_RNA)
where:
Base-Base interactions energy: -85.601
where: short stacking energy: -40.311
Base-Backbone interact. energy: -0.176
local terms energy: -82.902211
where:
bonds (distance) C4'-P energy: -20.422
bonds (distance) P-C4' energy: -24.265
flat angles C4'-P-C4' energy: -19.853
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -9.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -111.912846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.912846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.912846 (E_RNA)
where:
Base-Base interactions energy: -46.468
where: short stacking energy: -46.468
Base-Backbone interact. energy: -0.093
local terms energy: -65.351724
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -20.792
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -5.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -111.746078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.746078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.746078 (E_RNA)
where:
Base-Base interactions energy: -49.283
where: short stacking energy: -25.059
Base-Backbone interact. energy: 0.460
local terms energy: -62.923856
where:
bonds (distance) C4'-P energy: -20.012
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -2.683
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: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -325.968655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.968655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.968655 (E_RNA)
where:
Base-Base interactions energy: -230.872
where: short stacking energy: -92.636
Base-Backbone interact. energy: -0.242
local terms energy: -94.855302
where:
bonds (distance) C4'-P energy: -18.613
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -26.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -324.329201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.329201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.329201 (E_RNA)
where:
Base-Base interactions energy: -225.341
where: short stacking energy: -97.190
Base-Backbone interact. energy: 0.847
local terms energy: -99.835024
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -20.565
flat angles C4'-P-C4' energy: -20.683
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -31.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -314.781067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.781067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.781067 (E_RNA)
where:
Base-Base interactions energy: -227.780
where: short stacking energy: -98.307
Base-Backbone interact. energy: 1.613
local terms energy: -88.613771
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -18.762
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -25.793
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: 10
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -290.672767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.672767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.672767 (E_RNA)
where:
Base-Base interactions energy: -203.916
where: short stacking energy: -92.515
Base-Backbone interact. energy: -0.076
local terms energy: -86.680609
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -20.108
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -21.533
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: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -288.381879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.381879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.381879 (E_RNA)
where:
Base-Base interactions energy: -194.530
where: short stacking energy: -85.729
Base-Backbone interact. energy: -0.045
local terms energy: -93.807179
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -19.423
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -17.557
tors. eta vs tors. theta energy: -22.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -229.774434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.774434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.774434 (E_RNA)
where:
Base-Base interactions energy: -149.375
where: short stacking energy: -73.603
Base-Backbone interact. energy: -0.261
local terms energy: -80.139054
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -20.646
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -19.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -210.384902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.384902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.384902 (E_RNA)
where:
Base-Base interactions energy: -135.097
where: short stacking energy: -62.418
Base-Backbone interact. energy: 0.408
local terms energy: -75.696754
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -11.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -124.582117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.582117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.582117 (E_RNA)
where:
Base-Base interactions energy: -41.461
where: short stacking energy: -41.077
Base-Backbone interact. energy: -0.434
local terms energy: -82.686297
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -21.729
flat angles P-C4'-P energy: -14.654
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: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -98.280023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.280023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.280023 (E_RNA)
where:
Base-Base interactions energy: -43.937
where: short stacking energy: -37.280
Base-Backbone interact. energy: -0.560
local terms energy: -53.783356
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -18.078
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -3.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -95.647434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.647434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.647434 (E_RNA)
where:
Base-Base interactions energy: -33.678
where: short stacking energy: -33.350
Base-Backbone interact. energy: -0.433
local terms energy: -61.537031
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -8.349
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: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -329.263841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.263841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.263841 (E_RNA)
where:
Base-Base interactions energy: -222.587
where: short stacking energy: -100.101
Base-Backbone interact. energy: -0.203
local terms energy: -106.474262
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -15.603
tors. eta vs tors. theta energy: -30.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -327.643387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.643387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.643387 (E_RNA)
where:
Base-Base interactions energy: -218.786
where: short stacking energy: -94.216
Base-Backbone interact. energy: -0.121
local terms energy: -108.736044
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -23.030
flat angles C4'-P-C4' energy: -19.048
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: -28.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -284.087942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.087942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.087942 (E_RNA)
where:
Base-Base interactions energy: -194.094
where: short stacking energy: -83.044
Base-Backbone interact. energy: -0.292
local terms energy: -89.702162
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -20.963
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -14.698
tors. eta vs tors. theta energy: -16.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -307.534600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.534600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.534600 (E_RNA)
where:
Base-Base interactions energy: -203.247
where: short stacking energy: -87.458
Base-Backbone interact. energy: -0.105
local terms energy: -104.182832
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -22.215
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -27.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -272.319216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.319216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.319216 (E_RNA)
where:
Base-Base interactions energy: -189.701
where: short stacking energy: -79.687
Base-Backbone interact. energy: 0.274
local terms energy: -82.891837
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -18.807
flat angles C4'-P-C4' energy: -20.972
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -16.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -233.376844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.376844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.376844 (E_RNA)
where:
Base-Base interactions energy: -154.154
where: short stacking energy: -70.576
Base-Backbone interact. energy: -0.166
local terms energy: -79.056203
where:
bonds (distance) C4'-P energy: -20.477
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -19.705
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -17.311
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: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -219.772534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.772534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.772534 (E_RNA)
where:
Base-Base interactions energy: -133.064
where: short stacking energy: -64.427
Base-Backbone interact. energy: 1.281
local terms energy: -87.989484
where:
bonds (distance) C4'-P energy: -21.462
bonds (distance) P-C4' energy: -19.819
flat angles C4'-P-C4' energy: -22.213
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -11.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -120.886588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.886588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.886588 (E_RNA)
where:
Base-Base interactions energy: -46.979
where: short stacking energy: -39.306
Base-Backbone interact. energy: -0.117
local terms energy: -73.789952
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -17.645
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -9.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -106.513068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.513068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.513068 (E_RNA)
where:
Base-Base interactions energy: -44.491
where: short stacking energy: -36.800
Base-Backbone interact. energy: 0.025
local terms energy: -62.047096
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -23.580
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -1.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -92.834165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.834165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.834165 (E_RNA)
where:
Base-Base interactions energy: -40.796
where: short stacking energy: -27.458
Base-Backbone interact. energy: 2.915
local terms energy: -54.953566
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -8.459
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: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -329.816711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.816711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.816711 (E_RNA)
where:
Base-Base interactions energy: -227.711
where: short stacking energy: -98.760
Base-Backbone interact. energy: -0.154
local terms energy: -101.952134
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -15.419
tors. eta vs tors. theta energy: -28.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -311.632353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.632353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.632353 (E_RNA)
where:
Base-Base interactions energy: -212.633
where: short stacking energy: -92.591
Base-Backbone interact. energy: -0.441
local terms energy: -98.558858
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -17.968
tors. eta vs tors. theta energy: -20.907
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: 10
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -294.365552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.365552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.365552 (E_RNA)
where:
Base-Base interactions energy: -214.518
where: short stacking energy: -82.692
Base-Backbone interact. energy: 0.831
local terms energy: -80.679255
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -19.289
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: 7
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -317.705359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.705359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.705359 (E_RNA)
where:
Base-Base interactions energy: -213.975
where: short stacking energy: -98.376
Base-Backbone interact. energy: 1.334
local terms energy: -105.064344
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -22.948
flat angles P-C4'-P energy: -18.556
tors. eta vs tors. theta energy: -27.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -278.513566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.513566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.513566 (E_RNA)
where:
Base-Base interactions energy: -196.813
where: short stacking energy: -71.378
Base-Backbone interact. energy: -0.554
local terms energy: -81.147193
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -16.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -238.009806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.009806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.009806 (E_RNA)
where:
Base-Base interactions energy: -157.337
where: short stacking energy: -67.429
Base-Backbone interact. energy: -0.049
local terms energy: -80.623848
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -213.491784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.491784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.491784 (E_RNA)
where:
Base-Base interactions energy: -144.032
where: short stacking energy: -72.386
Base-Backbone interact. energy: 2.994
local terms energy: -72.453332
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -13.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -124.798714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.798714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.798714 (E_RNA)
where:
Base-Base interactions energy: -54.545
where: short stacking energy: -28.150
Base-Backbone interact. energy: 0.986
local terms energy: -71.239444
where:
bonds (distance) C4'-P energy: -20.343
bonds (distance) P-C4' energy: -21.516
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -5.362
tors. eta vs tors. theta energy: -6.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -104.590603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.590603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.590603 (E_RNA)
where:
Base-Base interactions energy: -36.683
where: short stacking energy: -33.428
Base-Backbone interact. energy: -0.216
local terms energy: -67.691901
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -9.990
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: 10, replica: 5
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -119.234248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.234248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.234248 (E_RNA)
where:
Base-Base interactions energy: -53.818
where: short stacking energy: -27.502
Base-Backbone interact. energy: 1.482
local terms energy: -66.897908
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -19.767
flat angles P-C4'-P energy: -7.527
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: 124
Temperature: 0.900000
Total energy: -323.822515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.822515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.822515 (E_RNA)
where:
Base-Base interactions energy: -219.143
where: short stacking energy: -88.146
Base-Backbone interact. energy: -0.298
local terms energy: -104.381830
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -22.252
flat angles C4'-P-C4' energy: -25.327
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -23.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -321.060613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.060613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.060613 (E_RNA)
where:
Base-Base interactions energy: -213.573
where: short stacking energy: -91.535
Base-Backbone interact. energy: -0.694
local terms energy: -106.794418
where:
bonds (distance) C4'-P energy: -21.722
bonds (distance) P-C4' energy: -21.943
flat angles C4'-P-C4' energy: -22.188
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -30.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -317.589586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.589586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.589586 (E_RNA)
where:
Base-Base interactions energy: -221.968
where: short stacking energy: -94.615
Base-Backbone interact. energy: -0.149
local terms energy: -95.472385
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -19.213
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -26.419
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: 10
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -288.596136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.596136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.596136 (E_RNA)
where:
Base-Base interactions energy: -203.230
where: short stacking energy: -85.492
Base-Backbone interact. energy: -0.600
local terms energy: -84.766860
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -21.135
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -16.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -222.684062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.684062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.684062 (E_RNA)
where:
Base-Base interactions energy: -143.097
where: short stacking energy: -57.963
Base-Backbone interact. energy: -0.649
local terms energy: -78.938078
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -21.944
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -14.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -274.573302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.573302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.573302 (E_RNA)
where:
Base-Base interactions energy: -179.335
where: short stacking energy: -77.651
Base-Backbone interact. energy: -0.364
local terms energy: -94.874395
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -15.141
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: 7, replica: 4
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -171.790841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.790841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.790841 (E_RNA)
where:
Base-Base interactions energy: -100.534
where: short stacking energy: -58.383
Base-Backbone interact. energy: -0.325
local terms energy: -70.932000
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -20.826
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -11.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -108.612862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.612862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.612862 (E_RNA)
where:
Base-Base interactions energy: -38.376
where: short stacking energy: -38.376
Base-Backbone interact. energy: -0.063
local terms energy: -70.173570
where:
bonds (distance) C4'-P energy: -19.661
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -110.838950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.838950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.838950 (E_RNA)
where:
Base-Base interactions energy: -37.622
where: short stacking energy: -36.682
Base-Backbone interact. energy: -1.984
local terms energy: -71.232732
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -6.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -105.074630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.074630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.074630 (E_RNA)
where:
Base-Base interactions energy: -43.628
where: short stacking energy: -36.483
Base-Backbone interact. energy: -0.158
local terms energy: -61.289246
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -2.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -332.276016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.276016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.276016 (E_RNA)
where:
Base-Base interactions energy: -226.045
where: short stacking energy: -98.069
Base-Backbone interact. energy: -0.393
local terms energy: -105.837998
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -22.643
flat angles P-C4'-P energy: -17.384
tors. eta vs tors. theta energy: -26.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -318.399939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.399939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.399939 (E_RNA)
where:
Base-Base interactions energy: -210.826
where: short stacking energy: -90.369
Base-Backbone interact. energy: -0.590
local terms energy: -106.984394
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -21.957
flat angles P-C4'-P energy: -17.446
tors. eta vs tors. theta energy: -29.103
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: 125
Temperature: 1.000000
Total energy: -314.117966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.117966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.117966 (E_RNA)
where:
Base-Base interactions energy: -215.123
where: short stacking energy: -84.063
Base-Backbone interact. energy: -0.740
local terms energy: -98.254478
where:
bonds (distance) C4'-P energy: -21.852
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -20.971
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: -21.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -283.759740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.759740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.759740 (E_RNA)
where:
Base-Base interactions energy: -197.307
where: short stacking energy: -78.743
Base-Backbone interact. energy: -0.874
local terms energy: -85.578181
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -19.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -219.691672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.691672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.691672 (E_RNA)
where:
Base-Base interactions energy: -139.263
where: short stacking energy: -62.776
Base-Backbone interact. energy: -1.326
local terms energy: -79.102042
where:
bonds (distance) C4'-P energy: -18.249
bonds (distance) P-C4' energy: -20.310
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -12.191
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: 3
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -279.443440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.443440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.443440 (E_RNA)
where:
Base-Base interactions energy: -195.266
where: short stacking energy: -72.833
Base-Backbone interact. energy: -0.028
local terms energy: -84.149406
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -19.934
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -17.771
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: 7, replica: 4
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -173.608946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.608946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.608946 (E_RNA)
where:
Base-Base interactions energy: -103.192
where: short stacking energy: -56.561
Base-Backbone interact. energy: -0.608
local terms energy: -69.809354
where:
bonds (distance) C4'-P energy: -17.462
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -9.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -117.483533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.483533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.483533 (E_RNA)
where:
Base-Base interactions energy: -55.095
where: short stacking energy: -33.667
Base-Backbone interact. energy: -0.532
local terms energy: -61.856293
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -11.691
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: 9, replica: 5
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -97.614212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.614212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.614212 (E_RNA)
where:
Base-Base interactions energy: -35.887
where: short stacking energy: -34.282
Base-Backbone interact. energy: -0.221
local terms energy: -61.506541
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -22.282
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -9.329
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: 1
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -112.958283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.958283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.958283 (E_RNA)
where:
Base-Base interactions energy: -41.920
where: short stacking energy: -39.760
Base-Backbone interact. energy: -0.031
local terms energy: -71.007091
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -9.279
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: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -333.635419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.635419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.635419 (E_RNA)
where:
Base-Base interactions energy: -226.053
where: short stacking energy: -91.276
Base-Backbone interact. energy: -0.655
local terms energy: -106.927267
where:
bonds (distance) C4'-P energy: -22.832
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -23.944
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: -22.664
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: 9
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -332.151294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.151294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.151294 (E_RNA)
where:
Base-Base interactions energy: -226.718
where: short stacking energy: -101.650
Base-Backbone interact. energy: -0.134
local terms energy: -105.298883
where:
bonds (distance) C4'-P energy: -19.686
bonds (distance) P-C4' energy: -18.564
flat angles C4'-P-C4' energy: -20.658
flat angles P-C4'-P energy: -16.719
tors. eta vs tors. theta energy: -29.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -323.536997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.536997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.536997 (E_RNA)
where:
Base-Base interactions energy: -219.601
where: short stacking energy: -98.428
Base-Backbone interact. energy: 0.140
local terms energy: -104.076322
where:
bonds (distance) C4'-P energy: -20.108
bonds (distance) P-C4' energy: -20.082
flat angles C4'-P-C4' energy: -22.877
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: -26.561
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: 10
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -284.863047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.863047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.863047 (E_RNA)
where:
Base-Base interactions energy: -201.560
where: short stacking energy: -84.174
Base-Backbone interact. energy: 0.294
local terms energy: -83.597304
where:
bonds (distance) C4'-P energy: -18.492
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -17.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -269.843295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.843295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.843295 (E_RNA)
where:
Base-Base interactions energy: -184.242
where: short stacking energy: -76.129
Base-Backbone interact. energy: -0.414
local terms energy: -85.187625
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -22.844
flat angles P-C4'-P energy: -15.168
tors. eta vs tors. theta energy: -19.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -236.977140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.977140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.977140 (E_RNA)
where:
Base-Base interactions energy: -158.595
where: short stacking energy: -66.634
Base-Backbone interact. energy: -0.323
local terms energy: -78.059202
where:
bonds (distance) C4'-P energy: -19.938
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -13.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -221.785509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.785509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.785509 (E_RNA)
where:
Base-Base interactions energy: -141.303
where: short stacking energy: -71.792
Base-Backbone interact. energy: -0.952
local terms energy: -79.529989
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -14.918
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: 8
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -179.107975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.107975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.107975 (E_RNA)
where:
Base-Base interactions energy: -93.830
where: short stacking energy: -53.065
Base-Backbone interact. energy: -0.109
local terms energy: -85.169486
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -22.911
flat angles C4'-P-C4' energy: -22.370
flat angles P-C4'-P energy: -9.283
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: 9, replica: 1
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -120.578850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.578850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.578850 (E_RNA)
where:
Base-Base interactions energy: -47.811
where: short stacking energy: -47.129
Base-Backbone interact. energy: -0.220
local terms energy: -72.548415
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -11.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -104.390240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.390240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.390240 (E_RNA)
where:
Base-Base interactions energy: -39.289
where: short stacking energy: -39.278
Base-Backbone interact. energy: 0.238
local terms energy: -65.339723
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -7.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -327.814714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.814714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.814714 (E_RNA)
where:
Base-Base interactions energy: -222.196
where: short stacking energy: -95.359
Base-Backbone interact. energy: 1.875
local terms energy: -107.493325
where:
bonds (distance) C4'-P energy: -21.197
bonds (distance) P-C4' energy: -24.106
flat angles C4'-P-C4' energy: -23.513
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -23.901
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: 2, replica: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -326.204666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.204666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.204666 (E_RNA)
where:
Base-Base interactions energy: -221.735
where: short stacking energy: -94.574
Base-Backbone interact. energy: -0.168
local terms energy: -104.301515
where:
bonds (distance) C4'-P energy: -23.370
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -21.759
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -30.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -316.317820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.317820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.317820 (E_RNA)
where:
Base-Base interactions energy: -211.361
where: short stacking energy: -89.877
Base-Backbone interact. energy: -0.146
local terms energy: -104.811313
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -22.567
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -27.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -296.277858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.277858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.277858 (E_RNA)
where:
Base-Base interactions energy: -207.747
where: short stacking energy: -84.114
Base-Backbone interact. energy: -0.589
local terms energy: -87.940986
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -19.769
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -26.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -274.036305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.036305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.036305 (E_RNA)
where:
Base-Base interactions energy: -199.531
where: short stacking energy: -75.886
Base-Backbone interact. energy: -0.425
local terms energy: -74.080988
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -8.327
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: 6, replica: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -223.321339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.321339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.321339 (E_RNA)
where:
Base-Base interactions energy: -147.532
where: short stacking energy: -78.906
Base-Backbone interact. energy: -0.079
local terms energy: -75.710137
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -18.579
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -15.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -238.686504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.686504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.686504 (E_RNA)
where:
Base-Base interactions energy: -156.198
where: short stacking energy: -59.017
Base-Backbone interact. energy: 0.601
local terms energy: -83.089489
where:
bonds (distance) C4'-P energy: -20.782
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -21.880
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -15.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -172.291826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.291826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.291826 (E_RNA)
where:
Base-Base interactions energy: -93.979
where: short stacking energy: -49.467
Base-Backbone interact. energy: -0.179
local terms energy: -78.134470
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -15.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -121.668594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.668594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.668594 (E_RNA)
where:
Base-Base interactions energy: -43.147
where: short stacking energy: -35.539
Base-Backbone interact. energy: -0.744
local terms energy: -77.777249
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -20.098
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -15.844
tors. eta vs tors. theta energy: -11.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -106.913488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.913488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.913488 (E_RNA)
where:
Base-Base interactions energy: -44.744
where: short stacking energy: -43.223
Base-Backbone interact. energy: -0.331
local terms energy: -61.838802
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -19.185
flat angles P-C4'-P energy: -0.672
tors. eta vs tors. theta energy: -7.508
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: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -320.094793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.094793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.094793 (E_RNA)
where:
Base-Base interactions energy: -221.508
where: short stacking energy: -91.066
Base-Backbone interact. energy: -1.107
local terms energy: -97.479729
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -23.948
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -22.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -324.315632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.315632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.315632 (E_RNA)
where:
Base-Base interactions energy: -220.286
where: short stacking energy: -99.819
Base-Backbone interact. energy: -0.578
local terms energy: -103.451481
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -19.955
flat angles C4'-P-C4' energy: -24.620
flat angles P-C4'-P energy: -16.953
tors. eta vs tors. theta energy: -25.302
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: 3, replica: 7
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -313.321882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.321882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.321882 (E_RNA)
where:
Base-Base interactions energy: -215.121
where: short stacking energy: -92.741
Base-Backbone interact. energy: -0.122
local terms energy: -98.079485
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -23.948
flat angles P-C4'-P energy: -17.111
tors. eta vs tors. theta energy: -28.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -287.356044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.356044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.356044 (E_RNA)
where:
Base-Base interactions energy: -198.374
where: short stacking energy: -79.855
Base-Backbone interact. energy: -0.102
local terms energy: -88.880274
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -6.815
tors. eta vs tors. theta energy: -24.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -251.627304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.627304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.627304 (E_RNA)
where:
Base-Base interactions energy: -169.647
where: short stacking energy: -64.299
Base-Backbone interact. energy: 1.224
local terms energy: -83.203660
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -22.022
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -12.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -252.917205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.917205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.917205 (E_RNA)
where:
Base-Base interactions energy: -163.464
where: short stacking energy: -75.459
Base-Backbone interact. energy: -0.185
local terms energy: -89.268704
where:
bonds (distance) C4'-P energy: -19.496
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -19.733
flat angles P-C4'-P energy: -15.139
tors. eta vs tors. theta energy: -19.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -173.453947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.453947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.453947 (E_RNA)
where:
Base-Base interactions energy: -100.337
where: short stacking energy: -55.004
Base-Backbone interact. energy: -0.228
local terms energy: -72.889151
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -11.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -140.897723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.897723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.897723 (E_RNA)
where:
Base-Base interactions energy: -87.102
where: short stacking energy: -51.019
Base-Backbone interact. energy: 0.790
local terms energy: -54.585666
where:
bonds (distance) C4'-P energy: -19.681
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -8.393
flat angles P-C4'-P energy: -5.124
tors. eta vs tors. theta energy: -4.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -103.761263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.761263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.761263 (E_RNA)
where:
Base-Base interactions energy: -40.639
where: short stacking energy: -40.636
Base-Backbone interact. energy: -0.399
local terms energy: -62.723151
where:
bonds (distance) C4'-P energy: -21.594
bonds (distance) P-C4' energy: -18.524
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: 0.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -108.235468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.235468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.235468 (E_RNA)
where:
Base-Base interactions energy: -46.826
where: short stacking energy: -30.399
Base-Backbone interact. energy: -0.326
local terms energy: -61.082968
where:
bonds (distance) C4'-P energy: -19.421
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -5.184
tors. eta vs tors. theta energy: -0.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -329.978353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.978353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.978353 (E_RNA)
where:
Base-Base interactions energy: -219.943
where: short stacking energy: -98.544
Base-Backbone interact. energy: -0.268
local terms energy: -109.767974
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -21.590
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: -30.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -329.525023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.525023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.525023 (E_RNA)
where:
Base-Base interactions energy: -224.929
where: short stacking energy: -87.580
Base-Backbone interact. energy: -0.177
local terms energy: -104.418108
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -20.399
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: -24.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -314.573022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.573022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.573022 (E_RNA)
where:
Base-Base interactions energy: -220.478
where: short stacking energy: -97.227
Base-Backbone interact. energy: -0.101
local terms energy: -93.994175
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -16.922
flat angles C4'-P-C4' energy: -18.700
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -25.232
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: 4, replica: 10
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -299.077980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.077980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.077980 (E_RNA)
where:
Base-Base interactions energy: -220.017
where: short stacking energy: -77.385
Base-Backbone interact. energy: 0.070
local terms energy: -79.130472
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -21.912
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -15.724
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: 5, replica: 3
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -300.854041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.854041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.854041 (E_RNA)
where:
Base-Base interactions energy: -214.743
where: short stacking energy: -85.142
Base-Backbone interact. energy: -0.025
local terms energy: -86.086295
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -20.392
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -23.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -222.717543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.717543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.717543 (E_RNA)
where:
Base-Base interactions energy: -138.726
where: short stacking energy: -65.569
Base-Backbone interact. energy: -0.115
local terms energy: -83.876935
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -22.178
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -16.194
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: 8
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -184.911726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.911726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.911726 (E_RNA)
where:
Base-Base interactions energy: -105.803
where: short stacking energy: -58.595
Base-Backbone interact. energy: -0.647
local terms energy: -78.461851
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -22.219
flat angles C4'-P-C4' energy: -18.904
flat angles P-C4'-P energy: -15.980
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: 8, replica: 6
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -124.589154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.589154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.589154 (E_RNA)
where:
Base-Base interactions energy: -72.138
where: short stacking energy: -38.265
Base-Backbone interact. energy: -1.624
local terms energy: -50.827305
where:
bonds (distance) C4'-P energy: -8.194
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -5.409
tors. eta vs tors. theta energy: 0.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -114.647983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.647983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.647983 (E_RNA)
where:
Base-Base interactions energy: -59.453
where: short stacking energy: -50.370
Base-Backbone interact. energy: 0.034
local terms energy: -55.228670
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -3.718
tors. eta vs tors. theta energy: -5.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -94.192337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.192337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.192337 (E_RNA)
where:
Base-Base interactions energy: -27.981
where: short stacking energy: -25.189
Base-Backbone interact. energy: -0.166
local terms energy: -66.045326
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -5.436
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: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -333.062871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.062871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.062871 (E_RNA)
where:
Base-Base interactions energy: -224.825
where: short stacking energy: -99.033
Base-Backbone interact. energy: -0.101
local terms energy: -108.137250
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -19.995
flat angles P-C4'-P energy: -16.390
tors. eta vs tors. theta energy: -27.912
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: 7
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -324.150357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.150357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.150357 (E_RNA)
where:
Base-Base interactions energy: -224.065
where: short stacking energy: -89.928
Base-Backbone interact. energy: 0.908
local terms energy: -100.993404
where:
bonds (distance) C4'-P energy: -21.639
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -17.280
tors. eta vs tors. theta energy: -21.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -306.006011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.006011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.006011 (E_RNA)
where:
Base-Base interactions energy: -221.989
where: short stacking energy: -74.584
Base-Backbone interact. energy: -0.834
local terms energy: -83.182431
where:
bonds (distance) C4'-P energy: -21.490
bonds (distance) P-C4' energy: -16.323
flat angles C4'-P-C4' energy: -22.756
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -13.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -311.913519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.913519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.913519 (E_RNA)
where:
Base-Base interactions energy: -219.021
where: short stacking energy: -97.259
Base-Backbone interact. energy: -0.072
local terms energy: -92.820527
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -20.384
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -26.323
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: 3
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -293.286562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.286562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.286562 (E_RNA)
where:
Base-Base interactions energy: -206.743
where: short stacking energy: -79.821
Base-Backbone interact. energy: -0.056
local terms energy: -86.487626
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -24.596
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: 4
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -222.087713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.087713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.087713 (E_RNA)
where:
Base-Base interactions energy: -134.347
where: short stacking energy: -62.810
Base-Backbone interact. energy: -0.478
local terms energy: -87.263226
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -22.037
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -14.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -124.230077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.230077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.230077 (E_RNA)
where:
Base-Base interactions energy: -60.656
where: short stacking energy: -39.714
Base-Backbone interact. energy: -0.880
local terms energy: -62.693277
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -5.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -165.778512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.778512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.778512 (E_RNA)
where:
Base-Base interactions energy: -101.996
where: short stacking energy: -53.375
Base-Backbone interact. energy: -0.465
local terms energy: -63.316720
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -12.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -102.429360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.429360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.429360 (E_RNA)
where:
Base-Base interactions energy: -43.246
where: short stacking energy: -29.713
Base-Backbone interact. energy: -0.302
local terms energy: -58.881917
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -18.124
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -9.260
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: 10, replica: 5
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -96.230612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.230612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.230612 (E_RNA)
where:
Base-Base interactions energy: -42.470
where: short stacking energy: -32.865
Base-Backbone interact. energy: 0.946
local terms energy: -54.707318
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -4.683
tors. eta vs tors. theta energy: 0.146
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: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -330.815497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.815497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.815497 (E_RNA)
where:
Base-Base interactions energy: -224.117
where: short stacking energy: -95.553
Base-Backbone interact. energy: -0.434
local terms energy: -106.264509
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -22.384
flat angles C4'-P-C4' energy: -22.974
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -28.635
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: 10
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -315.213724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.213724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.213724 (E_RNA)
where:
Base-Base interactions energy: -219.128
where: short stacking energy: -87.933
Base-Backbone interact. energy: 1.591
local terms energy: -97.677421
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -21.118
flat angles C4'-P-C4' energy: -21.774
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -21.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -324.320366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.320366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.320366 (E_RNA)
where:
Base-Base interactions energy: -221.993
where: short stacking energy: -101.177
Base-Backbone interact. energy: -0.236
local terms energy: -102.091774
where:
bonds (distance) C4'-P energy: -22.022
bonds (distance) P-C4' energy: -18.635
flat angles C4'-P-C4' energy: -22.677
flat angles P-C4'-P energy: -11.303
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: 4, replica: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -315.657629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.657629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.657629 (E_RNA)
where:
Base-Base interactions energy: -217.408
where: short stacking energy: -98.148
Base-Backbone interact. energy: 0.860
local terms energy: -99.109896
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -14.532
tors. eta vs tors. theta energy: -26.346
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: 3
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -284.972899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.972899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.972899 (E_RNA)
where:
Base-Base interactions energy: -187.014
where: short stacking energy: -80.325
Base-Backbone interact. energy: -0.643
local terms energy: -97.315587
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -22.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -194.210378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.210378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.210378 (E_RNA)
where:
Base-Base interactions energy: -113.932
where: short stacking energy: -65.561
Base-Backbone interact. energy: -0.040
local terms energy: -80.237805
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -14.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -131.697879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.697879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.697879 (E_RNA)
where:
Base-Base interactions energy: -60.395
where: short stacking energy: -49.454
Base-Backbone interact. energy: 0.221
local terms energy: -71.523777
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -21.461
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -9.803
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: 8, replica: 8
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -159.529461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.529461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.529461 (E_RNA)
where:
Base-Base interactions energy: -91.619
where: short stacking energy: -50.896
Base-Backbone interact. energy: -0.067
local terms energy: -67.844033
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -8.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -127.227647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.227647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.227647 (E_RNA)
where:
Base-Base interactions energy: -65.016
where: short stacking energy: -46.686
Base-Backbone interact. energy: -0.187
local terms energy: -62.024215
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -6.647
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: 131
Temperature: 1.350000
Total energy: -95.945455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.945455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.945455 (E_RNA)
where:
Base-Base interactions energy: -29.665
where: short stacking energy: -27.042
Base-Backbone interact. energy: 2.854
local terms energy: -69.134224
where:
bonds (distance) C4'-P energy: -18.994
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -12.129
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: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -332.787532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.787532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.787532 (E_RNA)
where:
Base-Base interactions energy: -225.278
where: short stacking energy: -97.409
Base-Backbone interact. energy: -1.501
local terms energy: -106.008186
where:
bonds (distance) C4'-P energy: -22.145
bonds (distance) P-C4' energy: -22.150
flat angles C4'-P-C4' energy: -22.277
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -27.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -319.131695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.131695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.131695 (E_RNA)
where:
Base-Base interactions energy: -227.405
where: short stacking energy: -88.775
Base-Backbone interact. energy: -0.657
local terms energy: -91.069972
where:
bonds (distance) C4'-P energy: -18.779
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -21.022
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -20.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -326.791180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.791180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.791180 (E_RNA)
where:
Base-Base interactions energy: -228.395
where: short stacking energy: -101.216
Base-Backbone interact. energy: 0.200
local terms energy: -98.596480
where:
bonds (distance) C4'-P energy: -19.173
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -22.628
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -26.141
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: 4, replica: 7
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -309.777256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.777256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.777256 (E_RNA)
where:
Base-Base interactions energy: -212.389
where: short stacking energy: -88.572
Base-Backbone interact. energy: 0.226
local terms energy: -97.613936
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -18.388
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -28.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -284.202111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.202111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.202111 (E_RNA)
where:
Base-Base interactions energy: -195.912
where: short stacking energy: -77.417
Base-Backbone interact. energy: -0.413
local terms energy: -87.876643
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -19.100
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -21.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -135.981564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.981564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.981564 (E_RNA)
where:
Base-Base interactions energy: -60.615
where: short stacking energy: -53.093
Base-Backbone interact. energy: -0.137
local terms energy: -75.229380
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -11.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -142.640681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.640681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.640681 (E_RNA)
where:
Base-Base interactions energy: -82.223
where: short stacking energy: -61.696
Base-Backbone interact. energy: -0.165
local terms energy: -60.252632
where:
bonds (distance) C4'-P energy: -8.963
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -12.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -129.410353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.410353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.410353 (E_RNA)
where:
Base-Base interactions energy: -65.423
where: short stacking energy: -35.861
Base-Backbone interact. energy: -0.805
local terms energy: -63.182434
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -14.579
tors. eta vs tors. theta energy: -1.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -101.790833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.790833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.790833 (E_RNA)
where:
Base-Base interactions energy: -41.235
where: short stacking energy: -36.333
Base-Backbone interact. energy: -0.208
local terms energy: -60.347750
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -6.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -100.777121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.777121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.777121 (E_RNA)
where:
Base-Base interactions energy: -28.392
where: short stacking energy: -27.958
Base-Backbone interact. energy: -0.394
local terms energy: -71.990476
where:
bonds (distance) C4'-P energy: -19.273
bonds (distance) P-C4' energy: -23.819
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -324.270851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.270851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.270851 (E_RNA)
where:
Base-Base interactions energy: -223.418
where: short stacking energy: -94.585
Base-Backbone interact. energy: -0.099
local terms energy: -100.754085
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -22.184
flat angles P-C4'-P energy: -14.737
tors. eta vs tors. theta energy: -25.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -322.810961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.810961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.810961 (E_RNA)
where:
Base-Base interactions energy: -222.064
where: short stacking energy: -94.136
Base-Backbone interact. energy: -0.187
local terms energy: -100.560086
where:
bonds (distance) C4'-P energy: -23.303
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -25.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -313.407186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.407186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.407186 (E_RNA)
where:
Base-Base interactions energy: -216.657
where: short stacking energy: -82.828
Base-Backbone interact. energy: -0.454
local terms energy: -96.296310
where:
bonds (distance) C4'-P energy: -22.041
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -22.408
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -20.768
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: 4, replica: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -286.915476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.915476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.915476 (E_RNA)
where:
Base-Base interactions energy: -191.696
where: short stacking energy: -86.331
Base-Backbone interact. energy: -0.800
local terms energy: -94.419968
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -21.087
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -24.021
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: 5, replica: 7
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -301.992873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.992873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.992873 (E_RNA)
where:
Base-Base interactions energy: -205.427
where: short stacking energy: -83.807
Base-Backbone interact. energy: -0.046
local terms energy: -96.520208
where:
bonds (distance) C4'-P energy: -20.492
bonds (distance) P-C4' energy: -17.143
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -23.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -166.200723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.200723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.200723 (E_RNA)
where:
Base-Base interactions energy: -83.214
where: short stacking energy: -65.601
Base-Backbone interact. energy: 0.235
local terms energy: -83.220918
where:
bonds (distance) C4'-P energy: -18.907
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -16.169
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: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -129.711407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.711407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.711407 (E_RNA)
where:
Base-Base interactions energy: -53.518
where: short stacking energy: -49.155
Base-Backbone interact. energy: -0.020
local terms energy: -76.173222
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -20.965
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -10.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -125.792873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.792873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.792873 (E_RNA)
where:
Base-Base interactions energy: -51.228
where: short stacking energy: -36.864
Base-Backbone interact. energy: -0.781
local terms energy: -73.783107
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -6.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -107.850005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.850005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.850005 (E_RNA)
where:
Base-Base interactions energy: -44.699
where: short stacking energy: -41.135
Base-Backbone interact. energy: -0.127
local terms energy: -63.023967
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -8.490
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: 10, replica: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -102.314977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.314977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.314977 (E_RNA)
where:
Base-Base interactions energy: -34.589
where: short stacking energy: -30.382
Base-Backbone interact. energy: -0.331
local terms energy: -67.395266
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -3.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -335.993708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.993708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.993708 (E_RNA)
where:
Base-Base interactions energy: -224.221
where: short stacking energy: -93.893
Base-Backbone interact. energy: -0.079
local terms energy: -111.693397
where:
bonds (distance) C4'-P energy: -22.688
bonds (distance) P-C4' energy: -23.089
flat angles C4'-P-C4' energy: -23.060
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -29.689
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: 9
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -320.703377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.703377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.703377 (E_RNA)
where:
Base-Base interactions energy: -217.740
where: short stacking energy: -95.013
Base-Backbone interact. energy: -1.060
local terms energy: -101.902969
where:
bonds (distance) C4'-P energy: -20.581
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -21.502
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -24.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -310.696140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.696140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.696140 (E_RNA)
where:
Base-Base interactions energy: -223.631
where: short stacking energy: -87.103
Base-Backbone interact. energy: -0.555
local terms energy: -86.510213
where:
bonds (distance) C4'-P energy: -17.876
bonds (distance) P-C4' energy: -19.613
flat angles C4'-P-C4' energy: -22.391
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -18.265
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: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -302.573441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.573441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.573441 (E_RNA)
where:
Base-Base interactions energy: -209.219
where: short stacking energy: -76.488
Base-Backbone interact. energy: 0.283
local terms energy: -93.638022
where:
bonds (distance) C4'-P energy: -19.298
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -23.105
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -24.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -312.771706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.771706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.771706 (E_RNA)
where:
Base-Base interactions energy: -217.022
where: short stacking energy: -93.247
Base-Backbone interact. energy: -0.180
local terms energy: -95.569065
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -23.687
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -29.851
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: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -144.690403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.690403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.690403 (E_RNA)
where:
Base-Base interactions energy: -69.524
where: short stacking energy: -50.388
Base-Backbone interact. energy: -0.030
local terms energy: -75.136405
where:
bonds (distance) C4'-P energy: -21.925
bonds (distance) P-C4' energy: -18.452
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -12.339
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: 8
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -110.231406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.231406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.231406 (E_RNA)
where:
Base-Base interactions energy: -46.384
where: short stacking energy: -42.655
Base-Backbone interact. energy: -0.306
local terms energy: -63.541047
where:
bonds (distance) C4'-P energy: -9.381
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -20.301
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -6.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -119.405040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.405040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.405040 (E_RNA)
where:
Base-Base interactions energy: -53.277
where: short stacking energy: -36.193
Base-Backbone interact. energy: -0.002
local terms energy: -66.126759
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -8.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -114.591121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.591121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.591121 (E_RNA)
where:
Base-Base interactions energy: -53.854
where: short stacking energy: -33.205
Base-Backbone interact. energy: -1.341
local terms energy: -59.396258
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: 1.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -104.651520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.651520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.651520 (E_RNA)
where:
Base-Base interactions energy: -42.212
where: short stacking energy: -32.924
Base-Backbone interact. energy: -0.156
local terms energy: -62.282915
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -21.121
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -6.102
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: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -330.274953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.274953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.274953 (E_RNA)
where:
Base-Base interactions energy: -229.705
where: short stacking energy: -94.157
Base-Backbone interact. energy: -0.124
local terms energy: -100.445370
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -23.185
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -26.407
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: 9
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -312.764018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.764018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.764018 (E_RNA)
where:
Base-Base interactions energy: -212.985
where: short stacking energy: -89.637
Base-Backbone interact. energy: -0.499
local terms energy: -99.280570
where:
bonds (distance) C4'-P energy: -19.454
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -22.363
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -21.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -316.693373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.693373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.693373 (E_RNA)
where:
Base-Base interactions energy: -222.339
where: short stacking energy: -84.801
Base-Backbone interact. energy: -0.441
local terms energy: -93.913133
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -21.525
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: 4, replica: 7
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -313.720168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.720168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.720168 (E_RNA)
where:
Base-Base interactions energy: -214.827
where: short stacking energy: -91.201
Base-Backbone interact. energy: -0.261
local terms energy: -98.631553
where:
bonds (distance) C4'-P energy: -17.527
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -25.927
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: 3
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -302.372338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.372338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.372338 (E_RNA)
where:
Base-Base interactions energy: -209.124
where: short stacking energy: -91.859
Base-Backbone interact. energy: -0.831
local terms energy: -92.417755
where:
bonds (distance) C4'-P energy: -21.292
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -23.651
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -22.417
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: 8
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -136.931675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.931675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.931675 (E_RNA)
where:
Base-Base interactions energy: -62.431
where: short stacking energy: -62.431
Base-Backbone interact. energy: -0.123
local terms energy: -74.377753
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -18.427
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -14.078
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: 7, replica: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -122.939313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.939313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.939313 (E_RNA)
where:
Base-Base interactions energy: -52.433
where: short stacking energy: -50.077
Base-Backbone interact. energy: -0.302
local terms energy: -70.204434
where:
bonds (distance) C4'-P energy: -20.957
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -18.264
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -4.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -137.032252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.032252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.032252 (E_RNA)
where:
Base-Base interactions energy: -74.026
where: short stacking energy: -41.472
Base-Backbone interact. energy: -0.197
local terms energy: -62.808917
where:
bonds (distance) C4'-P energy: -21.014
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -6.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -107.791581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.791581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.791581 (E_RNA)
where:
Base-Base interactions energy: -44.023
where: short stacking energy: -38.782
Base-Backbone interact. energy: -0.458
local terms energy: -63.310428
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -14.623
tors. eta vs tors. theta energy: -0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -99.009137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.009137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.009137 (E_RNA)
where:
Base-Base interactions energy: -38.005
where: short stacking energy: -34.387
Base-Backbone interact. energy: -0.990
local terms energy: -60.014109
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -21.198
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -5.229
tors. eta vs tors. theta energy: -3.113
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: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -331.656193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.656193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.656193 (E_RNA)
where:
Base-Base interactions energy: -217.925
where: short stacking energy: -93.629
Base-Backbone interact. energy: -0.861
local terms energy: -112.870369
where:
bonds (distance) C4'-P energy: -22.286
bonds (distance) P-C4' energy: -23.336
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -30.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -326.268311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.268311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.268311 (E_RNA)
where:
Base-Base interactions energy: -221.515
where: short stacking energy: -98.889
Base-Backbone interact. energy: -0.321
local terms energy: -104.432466
where:
bonds (distance) C4'-P energy: -22.514
bonds (distance) P-C4' energy: -22.099
flat angles C4'-P-C4' energy: -21.868
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -25.538
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: 136
Temperature: 1.000000
Total energy: -315.387886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.387886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.387886 (E_RNA)
where:
Base-Base interactions energy: -206.947
where: short stacking energy: -91.760
Base-Backbone interact. energy: -0.267
local terms energy: -108.174077
where:
bonds (distance) C4'-P energy: -22.261
bonds (distance) P-C4' energy: -24.159
flat angles C4'-P-C4' energy: -20.560
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -24.934
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: 10
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -311.757946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.757946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.757946 (E_RNA)
where:
Base-Base interactions energy: -224.065
where: short stacking energy: -92.522
Base-Backbone interact. energy: -0.123
local terms energy: -87.569483
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -24.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -297.234690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.234690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.234690 (E_RNA)
where:
Base-Base interactions energy: -203.505
where: short stacking energy: -88.224
Base-Backbone interact. energy: -0.004
local terms energy: -93.725087
where:
bonds (distance) C4'-P energy: -18.275
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -27.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -152.704291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.704291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.704291 (E_RNA)
where:
Base-Base interactions energy: -81.350
where: short stacking energy: -58.404
Base-Backbone interact. energy: -0.095
local terms energy: -71.259544
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -11.018
flat angles P-C4'-P energy: -16.668
tors. eta vs tors. theta energy: -15.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -160.527625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.527625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.527625 (E_RNA)
where:
Base-Base interactions energy: -81.732
where: short stacking energy: -55.425
Base-Backbone interact. energy: -0.100
local terms energy: -78.695783
where:
bonds (distance) C4'-P energy: -13.753
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -14.418
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: 8, replica: 1
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -109.230229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.230229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.230229 (E_RNA)
where:
Base-Base interactions energy: -40.064
where: short stacking energy: -36.270
Base-Backbone interact. energy: -0.061
local terms energy: -69.104905
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -18.317
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -12.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -108.449391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.449391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.449391 (E_RNA)
where:
Base-Base interactions energy: -41.991
where: short stacking energy: -41.973
Base-Backbone interact. energy: 0.372
local terms energy: -66.829738
where:
bonds (distance) C4'-P energy: -23.063
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: 0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -116.855811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.855811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.855811 (E_RNA)
where:
Base-Base interactions energy: -48.190
where: short stacking energy: -25.903
Base-Backbone interact. energy: -0.209
local terms energy: -68.456910
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -21.201
flat angles C4'-P-C4' energy: -20.079
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: 0.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -332.677499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.677499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.677499 (E_RNA)
where:
Base-Base interactions energy: -217.569
where: short stacking energy: -92.250
Base-Backbone interact. energy: -0.807
local terms energy: -114.301140
where:
bonds (distance) C4'-P energy: -23.676
bonds (distance) P-C4' energy: -22.094
flat angles C4'-P-C4' energy: -23.742
flat angles P-C4'-P energy: -15.924
tors. eta vs tors. theta energy: -28.864
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: 137
Temperature: 0.950000
Total energy: -306.991769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.991769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.991769 (E_RNA)
where:
Base-Base interactions energy: -198.267
where: short stacking energy: -89.808
Base-Backbone interact. energy: -0.203
local terms energy: -108.521811
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -23.785
flat angles C4'-P-C4' energy: -24.251
flat angles P-C4'-P energy: -16.689
tors. eta vs tors. theta energy: -24.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -314.951080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.951080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.951080 (E_RNA)
where:
Base-Base interactions energy: -219.546
where: short stacking energy: -91.620
Base-Backbone interact. energy: -0.232
local terms energy: -95.173043
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -23.566
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -24.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -292.486842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.486842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.486842 (E_RNA)
where:
Base-Base interactions energy: -201.084
where: short stacking energy: -91.416
Base-Backbone interact. energy: -0.108
local terms energy: -91.294789
where:
bonds (distance) C4'-P energy: -18.038
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -21.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -283.203136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.203136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.203136 (E_RNA)
where:
Base-Base interactions energy: -194.781
where: short stacking energy: -86.268
Base-Backbone interact. energy: -0.346
local terms energy: -88.076120
where:
bonds (distance) C4'-P energy: -18.747
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -19.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -155.238538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.238538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.238538 (E_RNA)
where:
Base-Base interactions energy: -75.753
where: short stacking energy: -45.609
Base-Backbone interact. energy: 0.254
local terms energy: -79.740140
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -10.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -139.927006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.927006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.927006 (E_RNA)
where:
Base-Base interactions energy: -72.564
where: short stacking energy: -36.098
Base-Backbone interact. energy: -0.422
local terms energy: -66.941212
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -18.627
flat angles P-C4'-P energy: -5.902
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: 8, replica: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -131.144813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.144813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.144813 (E_RNA)
where:
Base-Base interactions energy: -58.419
where: short stacking energy: -38.733
Base-Backbone interact. energy: 1.833
local terms energy: -74.558511
where:
bonds (distance) C4'-P energy: -22.948
bonds (distance) P-C4' energy: -21.523
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -2.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -113.893021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.893021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.893021 (E_RNA)
where:
Base-Base interactions energy: -40.964
where: short stacking energy: -31.630
Base-Backbone interact. energy: -0.276
local terms energy: -72.653510
where:
bonds (distance) C4'-P energy: -21.028
bonds (distance) P-C4' energy: -19.468
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -13.107
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: 5
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -139.139345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.139345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.139345 (E_RNA)
where:
Base-Base interactions energy: -75.969
where: short stacking energy: -40.671
Base-Backbone interact. energy: -0.635
local terms energy: -62.535347
where:
bonds (distance) C4'-P energy: -17.860
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -11.446
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: 1, replica: 7
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -318.763501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.763501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.763501 (E_RNA)
where:
Base-Base interactions energy: -217.395
where: short stacking energy: -99.634
Base-Backbone interact. energy: -0.180
local terms energy: -101.188287
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -20.101
flat angles P-C4'-P energy: -15.501
tors. eta vs tors. theta energy: -28.707
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: 138
Temperature: 0.950000
Total energy: -329.066739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.066739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.066739 (E_RNA)
where:
Base-Base interactions energy: -224.223
where: short stacking energy: -105.627
Base-Backbone interact. energy: -0.215
local terms energy: -104.628893
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -20.041
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -29.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -319.616834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.616834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.616834 (E_RNA)
where:
Base-Base interactions energy: -216.062
where: short stacking energy: -88.687
Base-Backbone interact. energy: -0.073
local terms energy: -103.482526
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -20.642
flat angles C4'-P-C4' energy: -22.192
flat angles P-C4'-P energy: -17.131
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: 4, replica: 3
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -305.013907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.013907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.013907 (E_RNA)
where:
Base-Base interactions energy: -213.001
where: short stacking energy: -81.836
Base-Backbone interact. energy: -0.122
local terms energy: -91.891186
where:
bonds (distance) C4'-P energy: -17.264
bonds (distance) P-C4' energy: -21.210
flat angles C4'-P-C4' energy: -22.793
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -23.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -293.082703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.082703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.082703 (E_RNA)
where:
Base-Base interactions energy: -208.401
where: short stacking energy: -74.218
Base-Backbone interact. energy: 0.400
local terms energy: -85.080895
where:
bonds (distance) C4'-P energy: -19.329
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -10.852
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: 6, replica: 8
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -137.533386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.533386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.533386 (E_RNA)
where:
Base-Base interactions energy: -70.448
where: short stacking energy: -55.330
Base-Backbone interact. energy: -1.036
local terms energy: -66.049678
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -9.842
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: 4
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -129.543620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.543620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.543620 (E_RNA)
where:
Base-Base interactions energy: -55.207
where: short stacking energy: -55.207
Base-Backbone interact. energy: 0.305
local terms energy: -74.641193
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -11.416
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: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -121.413845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.413845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.413845 (E_RNA)
where:
Base-Base interactions energy: -58.211
where: short stacking energy: -22.441
Base-Backbone interact. energy: 1.325
local terms energy: -64.527995
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -11.012
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: 9, replica: 5
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -107.072597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.072597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.072597 (E_RNA)
where:
Base-Base interactions energy: -44.717
where: short stacking energy: -39.159
Base-Backbone interact. energy: -0.353
local terms energy: -62.002678
where:
bonds (distance) C4'-P energy: -19.322
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -19.223
flat angles P-C4'-P energy: -1.708
tors. eta vs tors. theta energy: -2.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -98.663942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.663942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.663942 (E_RNA)
where:
Base-Base interactions energy: -35.038
where: short stacking energy: -35.038
Base-Backbone interact. energy: -0.649
local terms energy: -62.977873
where:
bonds (distance) C4'-P energy: -19.637
bonds (distance) P-C4' energy: -16.919
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -4.386
tors. eta vs tors. theta energy: -8.134
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: 7
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -329.225980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.225980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.225980 (E_RNA)
where:
Base-Base interactions energy: -222.056
where: short stacking energy: -95.918
Base-Backbone interact. energy: -0.407
local terms energy: -106.762626
where:
bonds (distance) C4'-P energy: -22.650
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -20.351
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: -27.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -326.833540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.833540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.833540 (E_RNA)
where:
Base-Base interactions energy: -224.224
where: short stacking energy: -93.826
Base-Backbone interact. energy: -0.927
local terms energy: -101.682468
where:
bonds (distance) C4'-P energy: -19.094
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -22.189
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: -26.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -317.728866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.728866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.728866 (E_RNA)
where:
Base-Base interactions energy: -213.717
where: short stacking energy: -96.496
Base-Backbone interact. energy: -0.220
local terms energy: -103.792194
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -22.154
flat angles C4'-P-C4' energy: -23.027
flat angles P-C4'-P energy: -17.133
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: 4, replica: 3
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -293.449289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.449289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.449289 (E_RNA)
where:
Base-Base interactions energy: -210.973
where: short stacking energy: -89.068
Base-Backbone interact. energy: -0.178
local terms energy: -82.298802
where:
bonds (distance) C4'-P energy: -19.760
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -20.169
flat angles P-C4'-P energy: -2.063
tors. eta vs tors. theta energy: -24.183
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: 10
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -271.414404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.414404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.414404 (E_RNA)
where:
Base-Base interactions energy: -186.349
where: short stacking energy: -72.791
Base-Backbone interact. energy: -0.317
local terms energy: -84.748823
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -11.096
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: 6, replica: 4
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -124.664880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.664880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.664880 (E_RNA)
where:
Base-Base interactions energy: -43.619
where: short stacking energy: -42.858
Base-Backbone interact. energy: -0.067
local terms energy: -80.978232
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -20.810
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: -14.333
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: 8
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -120.168550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.168550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.168550 (E_RNA)
where:
Base-Base interactions energy: -51.535
where: short stacking energy: -32.774
Base-Backbone interact. energy: -0.055
local terms energy: -68.578103
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -13.721
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: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -109.186045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.186045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.186045 (E_RNA)
where:
Base-Base interactions energy: -47.636
where: short stacking energy: -37.322
Base-Backbone interact. energy: -0.321
local terms energy: -61.228959
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: 2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -115.586549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.586549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.586549 (E_RNA)
where:
Base-Base interactions energy: -46.019
where: short stacking energy: -46.019
Base-Backbone interact. energy: -0.168
local terms energy: -69.399629
where:
bonds (distance) C4'-P energy: -22.277
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -4.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -95.734294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.734294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.734294 (E_RNA)
where:
Base-Base interactions energy: -22.127
where: short stacking energy: -20.807
Base-Backbone interact. energy: 2.156
local terms energy: -75.764098
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -2.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -327.972626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.972626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.972626 (E_RNA)
where:
Base-Base interactions energy: -224.680
where: short stacking energy: -98.389
Base-Backbone interact. energy: -0.209
local terms energy: -103.083527
where:
bonds (distance) C4'-P energy: -22.750
bonds (distance) P-C4' energy: -21.004
flat angles C4'-P-C4' energy: -22.081
flat angles P-C4'-P energy: -13.346
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: 9
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -321.017313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.017313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.017313 (E_RNA)
where:
Base-Base interactions energy: -216.416
where: short stacking energy: -92.898
Base-Backbone interact. energy: -0.781
local terms energy: -103.819846
where:
bonds (distance) C4'-P energy: -20.282
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -23.097
flat angles P-C4'-P energy: -15.661
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: 3, replica: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -317.015808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.015808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.015808 (E_RNA)
where:
Base-Base interactions energy: -215.737
where: short stacking energy: -92.142
Base-Backbone interact. energy: -0.831
local terms energy: -100.447963
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -16.856
tors. eta vs tors. theta energy: -25.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -312.104177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.104177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.104177 (E_RNA)
where:
Base-Base interactions energy: -221.632
where: short stacking energy: -96.484
Base-Backbone interact. energy: 0.220
local terms energy: -90.691937
where:
bonds (distance) C4'-P energy: -19.494
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -21.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -295.122305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.122305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.122305 (E_RNA)
where:
Base-Base interactions energy: -215.045
where: short stacking energy: -77.463
Base-Backbone interact. energy: -1.013
local terms energy: -79.064671
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -18.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -142.235002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.235002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.235002 (E_RNA)
where:
Base-Base interactions energy: -60.516
where: short stacking energy: -53.070
Base-Backbone interact. energy: -0.071
local terms energy: -81.647414
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -20.990
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -14.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -114.647979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.647979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.647979 (E_RNA)
where:
Base-Base interactions energy: -49.922
where: short stacking energy: -43.938
Base-Backbone interact. energy: -0.305
local terms energy: -64.421218
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -20.028
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -3.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -105.259378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.259378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.259378 (E_RNA)
where:
Base-Base interactions energy: -40.052
where: short stacking energy: -33.511
Base-Backbone interact. energy: -0.479
local terms energy: -64.728876
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -2.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -105.763654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.763654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.763654 (E_RNA)
where:
Base-Base interactions energy: -45.922
where: short stacking energy: -42.544
Base-Backbone interact. energy: 1.588
local terms energy: -61.429154
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -2.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -102.450629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.450629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.450629 (E_RNA)
where:
Base-Base interactions energy: -37.115
where: short stacking energy: -34.891
Base-Backbone interact. energy: -0.358
local terms energy: -64.977740
where:
bonds (distance) C4'-P energy: -20.125
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -10.396
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: 1, replica: 7
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -330.093140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.093140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.093140 (E_RNA)
where:
Base-Base interactions energy: -229.304
where: short stacking energy: -90.648
Base-Backbone interact. energy: -0.316
local terms energy: -100.472497
where:
bonds (distance) C4'-P energy: -20.758
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -19.151
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -21.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -319.184301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.184301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.184301 (E_RNA)
where:
Base-Base interactions energy: -220.219
where: short stacking energy: -95.418
Base-Backbone interact. energy: -0.511
local terms energy: -98.454710
where:
bonds (distance) C4'-P energy: -19.780
bonds (distance) P-C4' energy: -20.665
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -25.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -310.483412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.483412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.483412 (E_RNA)
where:
Base-Base interactions energy: -208.186
where: short stacking energy: -82.396
Base-Backbone interact. energy: -0.283
local terms energy: -102.014373
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -22.710
flat angles C4'-P-C4' energy: -20.982
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -27.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -301.527562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.527562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.527562 (E_RNA)
where:
Base-Base interactions energy: -212.278
where: short stacking energy: -77.434
Base-Backbone interact. energy: 1.285
local terms energy: -90.534496
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -24.216
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -21.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -281.504641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.504641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.504641 (E_RNA)
where:
Base-Base interactions energy: -194.328
where: short stacking energy: -83.312
Base-Backbone interact. energy: 0.168
local terms energy: -87.343970
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -19.448
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: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -152.188931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.188931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.188931 (E_RNA)
where:
Base-Base interactions energy: -70.102
where: short stacking energy: -55.143
Base-Backbone interact. energy: -0.110
local terms energy: -81.976890
where:
bonds (distance) C4'-P energy: -21.029
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -20.066
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -7.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -126.855000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.855000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.855000 (E_RNA)
where:
Base-Base interactions energy: -65.847
where: short stacking energy: -43.574
Base-Backbone interact. energy: -0.514
local terms energy: -60.493757
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: 0.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -103.232600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.232600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.232600 (E_RNA)
where:
Base-Base interactions energy: -39.375
where: short stacking energy: -39.375
Base-Backbone interact. energy: -0.158
local terms energy: -63.699755
where:
bonds (distance) C4'-P energy: -19.249
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -1.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -99.319234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.319234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.319234 (E_RNA)
where:
Base-Base interactions energy: -35.084
where: short stacking energy: -29.036
Base-Backbone interact. energy: -1.110
local terms energy: -63.125342
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -18.300
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -0.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -103.698583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.698583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.698583 (E_RNA)
where:
Base-Base interactions energy: -34.643
where: short stacking energy: -34.470
Base-Backbone interact. energy: -0.055
local terms energy: -69.000330
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -17.537
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -11.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -325.601728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.601728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.601728 (E_RNA)
where:
Base-Base interactions energy: -218.589
where: short stacking energy: -94.722
Base-Backbone interact. energy: -0.375
local terms energy: -106.637981
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -21.679
flat angles C4'-P-C4' energy: -22.987
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -28.622
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: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -320.929610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.929610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.929610 (E_RNA)
where:
Base-Base interactions energy: -220.246
where: short stacking energy: -101.089
Base-Backbone interact. energy: 0.162
local terms energy: -100.846295
where:
bonds (distance) C4'-P energy: -23.463
bonds (distance) P-C4' energy: -19.798
flat angles C4'-P-C4' energy: -20.091
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -25.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -283.364467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.364467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.364467 (E_RNA)
where:
Base-Base interactions energy: -188.882
where: short stacking energy: -77.275
Base-Backbone interact. energy: -0.347
local terms energy: -94.135225
where:
bonds (distance) C4'-P energy: -21.408
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -13.259
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: 4, replica: 9
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -314.520757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.520757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.520757 (E_RNA)
where:
Base-Base interactions energy: -215.222
where: short stacking energy: -90.903
Base-Backbone interact. energy: -0.931
local terms energy: -98.367776
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -23.134
flat angles C4'-P-C4' energy: -19.360
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -25.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -281.014131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.014131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.014131 (E_RNA)
where:
Base-Base interactions energy: -187.504
where: short stacking energy: -79.137
Base-Backbone interact. energy: -0.047
local terms energy: -93.463131
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -21.393
flat angles C4'-P-C4' energy: -21.493
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -20.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -150.263532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.263532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.263532 (E_RNA)
where:
Base-Base interactions energy: -71.058
where: short stacking energy: -45.841
Base-Backbone interact. energy: -1.024
local terms energy: -78.181767
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -19.554
flat angles C4'-P-C4' energy: -20.312
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -11.307
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: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -172.784443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.784443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.784443 (E_RNA)
where:
Base-Base interactions energy: -98.880
where: short stacking energy: -46.885
Base-Backbone interact. energy: 2.203
local terms energy: -76.107006
where:
bonds (distance) C4'-P energy: -19.600
bonds (distance) P-C4' energy: -22.712
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -7.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -113.123564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.123564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.123564 (E_RNA)
where:
Base-Base interactions energy: -47.740
where: short stacking energy: -47.186
Base-Backbone interact. energy: -0.232
local terms energy: -65.150896
where:
bonds (distance) C4'-P energy: -19.668
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -11.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -107.572364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.572364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.572364 (E_RNA)
where:
Base-Base interactions energy: -44.784
where: short stacking energy: -34.999
Base-Backbone interact. energy: 1.883
local terms energy: -64.671418
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -18.574
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -3.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -91.779814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.779814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.779814 (E_RNA)
where:
Base-Base interactions energy: -27.876
where: short stacking energy: -27.466
Base-Backbone interact. energy: -0.280
local terms energy: -63.623110
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -21.716
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: 0.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -314.308941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.308941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.308941 (E_RNA)
where:
Base-Base interactions energy: -216.076
where: short stacking energy: -85.664
Base-Backbone interact. energy: -0.303
local terms energy: -97.930738
where:
bonds (distance) C4'-P energy: -21.648
bonds (distance) P-C4' energy: -21.628
flat angles C4'-P-C4' energy: -20.855
flat angles P-C4'-P energy: -17.643
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: 2, replica: 2
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -318.357976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.357976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.357976 (E_RNA)
where:
Base-Base interactions energy: -210.475
where: short stacking energy: -86.318
Base-Backbone interact. energy: 0.103
local terms energy: -107.986154
where:
bonds (distance) C4'-P energy: -20.500
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -29.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -307.642272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.642272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.642272 (E_RNA)
where:
Base-Base interactions energy: -225.277
where: short stacking energy: -86.872
Base-Backbone interact. energy: 0.596
local terms energy: -82.961077
where:
bonds (distance) C4'-P energy: -21.206
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -3.648
tors. eta vs tors. theta energy: -16.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -299.555034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.555034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.555034 (E_RNA)
where:
Base-Base interactions energy: -207.135
where: short stacking energy: -80.128
Base-Backbone interact. energy: 2.455
local terms energy: -94.874510
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -20.367
flat angles C4'-P-C4' energy: -20.664
flat angles P-C4'-P energy: -11.253
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: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -280.455222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.455222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.455222 (E_RNA)
where:
Base-Base interactions energy: -191.340
where: short stacking energy: -83.986
Base-Backbone interact. energy: -0.254
local terms energy: -88.861712
where:
bonds (distance) C4'-P energy: -18.346
bonds (distance) P-C4' energy: -18.811
flat angles C4'-P-C4' energy: -21.295
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -21.072
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: 6, replica: 4
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -174.536296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.536296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.536296 (E_RNA)
where:
Base-Base interactions energy: -102.383
where: short stacking energy: -59.032
Base-Backbone interact. energy: -0.013
local terms energy: -72.140932
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -25.104
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -10.980
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: 7, replica: 6
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -164.573283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.573283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.573283 (E_RNA)
where:
Base-Base interactions energy: -91.329
where: short stacking energy: -57.688
Base-Backbone interact. energy: -0.090
local terms energy: -73.154002
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -20.249
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -11.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -113.444761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.444761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.444761 (E_RNA)
where:
Base-Base interactions energy: -46.354
where: short stacking energy: -35.539
Base-Backbone interact. energy: -0.128
local terms energy: -66.962177
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -1.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -105.049195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.049195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.049195 (E_RNA)
where:
Base-Base interactions energy: -35.153
where: short stacking energy: -23.552
Base-Backbone interact. energy: -0.164
local terms energy: -69.731655
where:
bonds (distance) C4'-P energy: -20.201
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -20.972
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -2.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -112.943789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.943789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.943789 (E_RNA)
where:
Base-Base interactions energy: -45.212
where: short stacking energy: -42.906
Base-Backbone interact. energy: -0.186
local terms energy: -67.545758
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -22.512
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -9.744
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: 2
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -332.142316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.142316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.142316 (E_RNA)
where:
Base-Base interactions energy: -229.650
where: short stacking energy: -99.372
Base-Backbone interact. energy: 0.741
local terms energy: -103.233201
where:
bonds (distance) C4'-P energy: -19.885
bonds (distance) P-C4' energy: -20.498
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -27.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -316.463350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.463350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.463350 (E_RNA)
where:
Base-Base interactions energy: -216.011
where: short stacking energy: -101.518
Base-Backbone interact. energy: -0.128
local terms energy: -100.324422
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -19.923
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -28.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -312.606778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.606778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.606778 (E_RNA)
where:
Base-Base interactions energy: -208.385
where: short stacking energy: -83.577
Base-Backbone interact. energy: -0.176
local terms energy: -104.046649
where:
bonds (distance) C4'-P energy: -22.166
bonds (distance) P-C4' energy: -21.789
flat angles C4'-P-C4' energy: -21.933
flat angles P-C4'-P energy: -15.954
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: 10
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -311.818349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.818349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.818349 (E_RNA)
where:
Base-Base interactions energy: -220.922
where: short stacking energy: -88.362
Base-Backbone interact. energy: -0.259
local terms energy: -90.636754
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -25.091
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -20.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -267.284350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.284350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.284350 (E_RNA)
where:
Base-Base interactions energy: -172.534
where: short stacking energy: -65.419
Base-Backbone interact. energy: -0.344
local terms energy: -94.406882
where:
bonds (distance) C4'-P energy: -22.376
bonds (distance) P-C4' energy: -19.456
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -13.333
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: 144
Temperature: 1.150000
Total energy: -199.644255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.644255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.644255 (E_RNA)
where:
Base-Base interactions energy: -123.495
where: short stacking energy: -67.526
Base-Backbone interact. energy: -0.148
local terms energy: -76.001104
where:
bonds (distance) C4'-P energy: -19.499
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -21.169
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -13.755
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: 5
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -134.825678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.825678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.825678 (E_RNA)
where:
Base-Base interactions energy: -53.184
where: short stacking energy: -53.184
Base-Backbone interact. energy: -0.052
local terms energy: -81.589183
where:
bonds (distance) C4'-P energy: -21.365
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -12.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -186.723196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.723196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.723196 (E_RNA)
where:
Base-Base interactions energy: -117.531
where: short stacking energy: -67.343
Base-Backbone interact. energy: 2.177
local terms energy: -71.368409
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -14.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -98.782008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.782008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.782008 (E_RNA)
where:
Base-Base interactions energy: -41.913
where: short stacking energy: -38.270
Base-Backbone interact. energy: -0.175
local terms energy: -56.694275
where:
bonds (distance) C4'-P energy: -18.811
bonds (distance) P-C4' energy: -19.787
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: -0.066
tors. eta vs tors. theta energy: -7.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -94.394814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.394814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.394814 (E_RNA)
where:
Base-Base interactions energy: -30.086
where: short stacking energy: -27.344
Base-Backbone interact. energy: -0.964
local terms energy: -63.345053
where:
bonds (distance) C4'-P energy: -20.067
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -1.568
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: 2
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -325.351972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.351972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.351972 (E_RNA)
where:
Base-Base interactions energy: -216.335
where: short stacking energy: -97.637
Base-Backbone interact. energy: 0.317
local terms energy: -109.333555
where:
bonds (distance) C4'-P energy: -22.008
bonds (distance) P-C4' energy: -20.758
flat angles C4'-P-C4' energy: -23.222
flat angles P-C4'-P energy: -16.487
tors. eta vs tors. theta energy: -26.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -322.221944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.221944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.221944 (E_RNA)
where:
Base-Base interactions energy: -223.480
where: short stacking energy: -103.037
Base-Backbone interact. energy: -0.807
local terms energy: -97.934680
where:
bonds (distance) C4'-P energy: -21.267
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -27.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -326.486375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.486375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.486375 (E_RNA)
where:
Base-Base interactions energy: -228.071
where: short stacking energy: -92.783
Base-Backbone interact. energy: -0.359
local terms energy: -98.056938
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -18.842
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -17.336
tors. eta vs tors. theta energy: -23.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -294.184999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.184999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.184999 (E_RNA)
where:
Base-Base interactions energy: -209.948
where: short stacking energy: -90.059
Base-Backbone interact. energy: -0.896
local terms energy: -83.340897
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -21.453
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -22.127
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: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -247.950949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.950949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.950949 (E_RNA)
where:
Base-Base interactions energy: -160.913
where: short stacking energy: -82.496
Base-Backbone interact. energy: -0.968
local terms energy: -86.069504
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -19.350
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -15.860
tors. eta vs tors. theta energy: -17.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -212.409573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.409573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.409573 (E_RNA)
where:
Base-Base interactions energy: -133.972
where: short stacking energy: -77.900
Base-Backbone interact. energy: -0.410
local terms energy: -78.027379
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -22.843
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -15.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -166.144366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.144366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.144366 (E_RNA)
where:
Base-Base interactions energy: -93.282
where: short stacking energy: -45.972
Base-Backbone interact. energy: 0.743
local terms energy: -73.604986
where:
bonds (distance) C4'-P energy: -19.797
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -8.649
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: 8, replica: 6
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -186.266491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.266491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.266491 (E_RNA)
where:
Base-Base interactions energy: -106.032
where: short stacking energy: -56.387
Base-Backbone interact. energy: -0.270
local terms energy: -79.964633
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -12.255
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: 1
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -107.678427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.678427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.678427 (E_RNA)
where:
Base-Base interactions energy: -53.619
where: short stacking energy: -31.241
Base-Backbone interact. energy: -0.242
local terms energy: -53.817268
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -19.773
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -2.318
tors. eta vs tors. theta energy: -3.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -91.588589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.588589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.588589 (E_RNA)
where:
Base-Base interactions energy: -27.350
where: short stacking energy: -17.365
Base-Backbone interact. energy: -0.377
local terms energy: -63.860856
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: 2.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -329.267210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.267210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.267210 (E_RNA)
where:
Base-Base interactions energy: -216.028
where: short stacking energy: -92.976
Base-Backbone interact. energy: 0.230
local terms energy: -113.469218
where:
bonds (distance) C4'-P energy: -22.895
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -22.136
flat angles P-C4'-P energy: -16.904
tors. eta vs tors. theta energy: -27.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -333.291289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.291289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.291289 (E_RNA)
where:
Base-Base interactions energy: -231.431
where: short stacking energy: -104.902
Base-Backbone interact. energy: -0.097
local terms energy: -101.763588
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -20.088
flat angles C4'-P-C4' energy: -23.652
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -28.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -318.093271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.093271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.093271 (E_RNA)
where:
Base-Base interactions energy: -218.110
where: short stacking energy: -95.434
Base-Backbone interact. energy: -0.131
local terms energy: -99.851720
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -20.009
flat angles P-C4'-P energy: -14.074
tors. eta vs tors. theta energy: -29.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -289.943244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.943244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.943244 (E_RNA)
where:
Base-Base interactions energy: -204.173
where: short stacking energy: -74.450
Base-Backbone interact. energy: -0.619
local terms energy: -85.151617
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: -16.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -237.604558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.604558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.604558 (E_RNA)
where:
Base-Base interactions energy: -152.066
where: short stacking energy: -66.353
Base-Backbone interact. energy: -0.025
local terms energy: -85.513585
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -21.221
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -16.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -218.088097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.088097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.088097 (E_RNA)
where:
Base-Base interactions energy: -137.636
where: short stacking energy: -64.654
Base-Backbone interact. energy: -0.240
local terms energy: -80.212322
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -18.635
flat angles C4'-P-C4' energy: -20.893
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -9.928
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: 6
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -140.047585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.047585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.047585 (E_RNA)
where:
Base-Base interactions energy: -60.772
where: short stacking energy: -46.218
Base-Backbone interact. energy: -0.781
local terms energy: -78.494568
where:
bonds (distance) C4'-P energy: -21.028
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -10.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -151.437944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.437944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.437944 (E_RNA)
where:
Base-Base interactions energy: -77.696
where: short stacking energy: -38.248
Base-Backbone interact. energy: -0.323
local terms energy: -73.419089
where:
bonds (distance) C4'-P energy: -22.182
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: 0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -129.474938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.474938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.474938 (E_RNA)
where:
Base-Base interactions energy: -57.990
where: short stacking energy: -53.159
Base-Backbone interact. energy: -0.593
local terms energy: -70.891024
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -19.389
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -8.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -102.406301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.406301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.406301 (E_RNA)
where:
Base-Base interactions energy: -35.957
where: short stacking energy: -35.712
Base-Backbone interact. energy: -0.347
local terms energy: -66.102701
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -2.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -337.173786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.173786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.173786 (E_RNA)
where:
Base-Base interactions energy: -228.269
where: short stacking energy: -99.356
Base-Backbone interact. energy: -0.367
local terms energy: -108.537519
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -22.322
flat angles C4'-P-C4' energy: -24.690
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -28.965
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: 2
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -322.257647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.257647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.257647 (E_RNA)
where:
Base-Base interactions energy: -221.328
where: short stacking energy: -98.049
Base-Backbone interact. energy: 1.123
local terms energy: -102.052214
where:
bonds (distance) C4'-P energy: -19.586
bonds (distance) P-C4' energy: -22.084
flat angles C4'-P-C4' energy: -22.324
flat angles P-C4'-P energy: -14.484
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: 3, replica: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -315.190090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.190090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.190090 (E_RNA)
where:
Base-Base interactions energy: -222.815
where: short stacking energy: -90.504
Base-Backbone interact. energy: 2.468
local terms energy: -94.843351
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -21.318
flat angles P-C4'-P energy: -16.085
tors. eta vs tors. theta energy: -23.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -285.269644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.269644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.269644 (E_RNA)
where:
Base-Base interactions energy: -189.935
where: short stacking energy: -71.380
Base-Backbone interact. energy: -0.826
local terms energy: -94.508707
where:
bonds (distance) C4'-P energy: -18.383
bonds (distance) P-C4' energy: -22.433
flat angles C4'-P-C4' energy: -22.718
flat angles P-C4'-P energy: -9.735
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: 5, replica: 3
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -248.350901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.350901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.350901 (E_RNA)
where:
Base-Base interactions energy: -157.951
where: short stacking energy: -76.293
Base-Backbone interact. energy: -0.087
local terms energy: -90.313147
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -22.460
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -21.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -212.368794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.368794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.368794 (E_RNA)
where:
Base-Base interactions energy: -133.835
where: short stacking energy: -57.516
Base-Backbone interact. energy: -0.265
local terms energy: -78.268477
where:
bonds (distance) C4'-P energy: -20.058
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -21.134
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -11.317
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: 6
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -141.537880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.537880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.537880 (E_RNA)
where:
Base-Base interactions energy: -70.066
where: short stacking energy: -55.207
Base-Backbone interact. energy: -0.294
local terms energy: -71.177908
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -22.123
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -10.494
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: 8, replica: 8
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -126.969539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.969539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.969539 (E_RNA)
where:
Base-Base interactions energy: -50.896
where: short stacking energy: -33.479
Base-Backbone interact. energy: -0.500
local terms energy: -75.573277
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -22.849
flat angles C4'-P-C4' energy: -21.185
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: 0.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -142.781162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.781162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.781162 (E_RNA)
where:
Base-Base interactions energy: -74.010
where: short stacking energy: -44.435
Base-Backbone interact. energy: 0.183
local terms energy: -68.953754
where:
bonds (distance) C4'-P energy: -20.323
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -14.127
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: 10, replica: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -140.547662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.547662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.547662 (E_RNA)
where:
Base-Base interactions energy: -69.807
where: short stacking energy: -41.586
Base-Backbone interact. energy: -0.190
local terms energy: -70.550706
where:
bonds (distance) C4'-P energy: -17.823
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -7.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -329.167239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.167239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.167239 (E_RNA)
where:
Base-Base interactions energy: -222.653
where: short stacking energy: -101.238
Base-Backbone interact. energy: 0.010
local terms energy: -106.524841
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -19.278
flat angles C4'-P-C4' energy: -22.914
flat angles P-C4'-P energy: -18.300
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: 2, replica: 2
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -316.792920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.792920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.792920 (E_RNA)
where:
Base-Base interactions energy: -210.909
where: short stacking energy: -93.874
Base-Backbone interact. energy: 0.635
local terms energy: -106.519771
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -20.997
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -18.095
tors. eta vs tors. theta energy: -28.008
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: 148
Temperature: 1.000000
Total energy: -305.490258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.490258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.490258 (E_RNA)
where:
Base-Base interactions energy: -206.608
where: short stacking energy: -89.724
Base-Backbone interact. energy: -0.223
local terms energy: -98.659656
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -20.971
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -21.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -320.172040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.172040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.172040 (E_RNA)
where:
Base-Base interactions energy: -214.332
where: short stacking energy: -101.259
Base-Backbone interact. energy: -0.247
local terms energy: -105.592546
where:
bonds (distance) C4'-P energy: -22.964
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -23.040
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: 4
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -231.667526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.667526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.667526 (E_RNA)
where:
Base-Base interactions energy: -140.540
where: short stacking energy: -68.749
Base-Backbone interact. energy: -0.015
local terms energy: -91.112266
where:
bonds (distance) C4'-P energy: -20.108
bonds (distance) P-C4' energy: -18.993
flat angles C4'-P-C4' energy: -21.051
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -17.845
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: 3
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -235.796682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.796682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.796682 (E_RNA)
where:
Base-Base interactions energy: -146.548
where: short stacking energy: -58.546
Base-Backbone interact. energy: -0.016
local terms energy: -89.232664
where:
bonds (distance) C4'-P energy: -20.915
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -17.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -123.939164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.939164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.939164 (E_RNA)
where:
Base-Base interactions energy: -59.001
where: short stacking energy: -40.529
Base-Backbone interact. energy: -0.448
local terms energy: -64.489903
where:
bonds (distance) C4'-P energy: -20.153
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -5.683
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: 8, replica: 6
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -138.056462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.056462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.056462 (E_RNA)
where:
Base-Base interactions energy: -70.903
where: short stacking energy: -35.900
Base-Backbone interact. energy: -0.157
local terms energy: -66.996773
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -20.345
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -15.450
tors. eta vs tors. theta energy: -3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -124.234277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.234277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.234277 (E_RNA)
where:
Base-Base interactions energy: -58.580
where: short stacking energy: -41.369
Base-Backbone interact. energy: -0.044
local terms energy: -65.610307
where:
bonds (distance) C4'-P energy: -19.642
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -6.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -103.379113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.379113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.379113 (E_RNA)
where:
Base-Base interactions energy: -41.269
where: short stacking energy: -29.714
Base-Backbone interact. energy: 0.241
local terms energy: -62.351549
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: 0.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -328.187497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.187497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.187497 (E_RNA)
where:
Base-Base interactions energy: -217.344
where: short stacking energy: -94.658
Base-Backbone interact. energy: -0.209
local terms energy: -110.634725
where:
bonds (distance) C4'-P energy: -21.194
bonds (distance) P-C4' energy: -23.577
flat angles C4'-P-C4' energy: -24.246
flat angles P-C4'-P energy: -13.138
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: 2, replica: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -319.475162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.475162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.475162 (E_RNA)
where:
Base-Base interactions energy: -218.621
where: short stacking energy: -101.928
Base-Backbone interact. energy: -0.381
local terms energy: -100.472780
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -24.631
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: -28.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -286.013294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.013294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.013294 (E_RNA)
where:
Base-Base interactions energy: -195.903
where: short stacking energy: -70.922
Base-Backbone interact. energy: -0.502
local terms energy: -89.608475
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -19.609
flat angles C4'-P-C4' energy: -21.262
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -17.910
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: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -317.450024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.450024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.450024 (E_RNA)
where:
Base-Base interactions energy: -226.756
where: short stacking energy: -84.193
Base-Backbone interact. energy: 1.714
local terms energy: -92.408617
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -21.524
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -23.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -217.795168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.795168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.795168 (E_RNA)
where:
Base-Base interactions energy: -136.481
where: short stacking energy: -62.867
Base-Backbone interact. energy: -0.463
local terms energy: -80.851150
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -21.801
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -12.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -256.365477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.365477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.365477 (E_RNA)
where:
Base-Base interactions energy: -160.339
where: short stacking energy: -69.224
Base-Backbone interact. energy: -0.390
local terms energy: -95.636346
where:
bonds (distance) C4'-P energy: -23.030
bonds (distance) P-C4' energy: -20.486
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -20.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -116.766776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.766776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.766776 (E_RNA)
where:
Base-Base interactions energy: -54.019
where: short stacking energy: -26.755
Base-Backbone interact. energy: -0.214
local terms energy: -62.534491
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -12.715
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: 8, replica: 1
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -122.182195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.182195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.182195 (E_RNA)
where:
Base-Base interactions energy: -47.084
where: short stacking energy: -39.387
Base-Backbone interact. energy: -0.079
local terms energy: -75.019357
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -20.965
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -6.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -113.426158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.426158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.426158 (E_RNA)
where:
Base-Base interactions energy: -44.682
where: short stacking energy: -29.197
Base-Backbone interact. energy: -0.537
local terms energy: -68.207157
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -18.726
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -17.265
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: 10, replica: 5
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -97.411924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.411924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.411924 (E_RNA)
where:
Base-Base interactions energy: -32.357
where: short stacking energy: -30.942
Base-Backbone interact. energy: -0.281
local terms energy: -64.774520
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -20.980
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -4.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -322.499012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.499012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.499012 (E_RNA)
where:
Base-Base interactions energy: -217.685
where: short stacking energy: -98.410
Base-Backbone interact. energy: -0.088
local terms energy: -104.726207
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -23.262
flat angles P-C4'-P energy: -18.590
tors. eta vs tors. theta energy: -27.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -328.920112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.920112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.920112 (E_RNA)
where:
Base-Base interactions energy: -221.832
where: short stacking energy: -100.167
Base-Backbone interact. energy: -0.140
local terms energy: -106.948134
where:
bonds (distance) C4'-P energy: -22.131
bonds (distance) P-C4' energy: -21.149
flat angles C4'-P-C4' energy: -20.665
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -28.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -312.470613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.470613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.470613 (E_RNA)
where:
Base-Base interactions energy: -215.394
where: short stacking energy: -90.806
Base-Backbone interact. energy: -0.113
local terms energy: -96.963501
where:
bonds (distance) C4'-P energy: -18.969
bonds (distance) P-C4' energy: -20.835
flat angles C4'-P-C4' energy: -19.354
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -23.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -295.623334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.623334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.623334 (E_RNA)
where:
Base-Base interactions energy: -203.353
where: short stacking energy: -71.617
Base-Backbone interact. energy: -0.216
local terms energy: -92.054326
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -22.138
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -22.856
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: 4
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -242.329583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.329583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.329583 (E_RNA)
where:
Base-Base interactions energy: -155.060
where: short stacking energy: -75.236
Base-Backbone interact. energy: -0.124
local terms energy: -87.145049
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -21.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -218.814968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.814968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.814968 (E_RNA)
where:
Base-Base interactions energy: -133.197
where: short stacking energy: -61.961
Base-Backbone interact. energy: -0.728
local terms energy: -84.889634
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -24.359
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -14.313
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: 7, replica: 1
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -134.230805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.230805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.230805 (E_RNA)
where:
Base-Base interactions energy: -59.700
where: short stacking energy: -54.042
Base-Backbone interact. energy: 0.344
local terms energy: -74.875180
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -13.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -121.656973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.656973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.656973 (E_RNA)
where:
Base-Base interactions energy: -48.231
where: short stacking energy: -34.689
Base-Backbone interact. energy: -0.139
local terms energy: -73.286825
where:
bonds (distance) C4'-P energy: -19.127
bonds (distance) P-C4' energy: -19.097
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -14.218
tors. eta vs tors. theta energy: -4.756
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: 150
Temperature: 1.300000
Total energy: -131.936048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.936048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.936048 (E_RNA)
where:
Base-Base interactions energy: -59.621
where: short stacking energy: -42.692
Base-Backbone interact. energy: -0.186
local terms energy: -72.128960
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -22.543
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -5.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -115.662581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.662581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.662581 (E_RNA)
where:
Base-Base interactions energy: -47.558
where: short stacking energy: -47.396
Base-Backbone interact. energy: -1.087
local terms energy: -67.017563
where:
bonds (distance) C4'-P energy: -18.221
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -7.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -331.802669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.802669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.802669 (E_RNA)
where:
Base-Base interactions energy: -220.394
where: short stacking energy: -98.354
Base-Backbone interact. energy: -0.091
local terms energy: -111.317522
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -24.541
flat angles C4'-P-C4' energy: -20.168
flat angles P-C4'-P energy: -18.478
tors. eta vs tors. theta energy: -30.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -330.699488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.699488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.699488 (E_RNA)
where:
Base-Base interactions energy: -230.822
where: short stacking energy: -102.680
Base-Backbone interact. energy: -0.135
local terms energy: -99.742471
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -22.709
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -27.336
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: 3, replica: 9
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -318.221365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.221365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.221365 (E_RNA)
where:
Base-Base interactions energy: -216.931
where: short stacking energy: -90.228
Base-Backbone interact. energy: -0.130
local terms energy: -101.160707
where:
bonds (distance) C4'-P energy: -19.751
bonds (distance) P-C4' energy: -23.046
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -28.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -291.239013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.239013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.239013 (E_RNA)
where:
Base-Base interactions energy: -197.629
where: short stacking energy: -77.751
Base-Backbone interact. energy: -0.419
local terms energy: -93.191011
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -17.238
tors. eta vs tors. theta energy: -19.938
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: 151
Temperature: 1.100000
Total energy: -221.289810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.289810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.289810 (E_RNA)
where:
Base-Base interactions energy: -133.358
where: short stacking energy: -51.770
Base-Backbone interact. energy: 0.116
local terms energy: -88.047571
where:
bonds (distance) C4'-P energy: -19.331
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -19.384
flat angles P-C4'-P energy: -14.323
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: 6, replica: 3
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -231.516680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.516680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.516680 (E_RNA)
where:
Base-Base interactions energy: -153.943
where: short stacking energy: -81.241
Base-Backbone interact. energy: -0.081
local terms energy: -77.492436
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -13.224
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: 1
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -142.064638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.064638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.064638 (E_RNA)
where:
Base-Base interactions energy: -57.924
where: short stacking energy: -38.866
Base-Backbone interact. energy: -0.235
local terms energy: -83.906140
where:
bonds (distance) C4'-P energy: -23.541
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -20.377
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -4.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -114.431476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.431476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.431476 (E_RNA)
where:
Base-Base interactions energy: -56.400
where: short stacking energy: -19.364
Base-Backbone interact. energy: 1.136
local terms energy: -59.166960
where:
bonds (distance) C4'-P energy: -20.368
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -7.543
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: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -95.038513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.038513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.038513 (E_RNA)
where:
Base-Base interactions energy: -34.808
where: short stacking energy: -23.817
Base-Backbone interact. energy: -0.250
local terms energy: -59.980648
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -23.529
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -3.876
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: 6
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -105.328509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.328509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.328509 (E_RNA)
where:
Base-Base interactions energy: -36.151
where: short stacking energy: -30.708
Base-Backbone interact. energy: -0.508
local terms energy: -68.669190
where:
bonds (distance) C4'-P energy: -17.908
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -6.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -330.753108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.753108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.753108 (E_RNA)
where:
Base-Base interactions energy: -226.619
where: short stacking energy: -102.572
Base-Backbone interact. energy: -0.400
local terms energy: -103.734872
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -24.138
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -30.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -329.723789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.723789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.723789 (E_RNA)
where:
Base-Base interactions energy: -232.904
where: short stacking energy: -104.133
Base-Backbone interact. energy: -0.552
local terms energy: -96.267557
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -19.538
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -27.311
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: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -287.980874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.980874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.980874 (E_RNA)
where:
Base-Base interactions energy: -194.294
where: short stacking energy: -73.902
Base-Backbone interact. energy: 0.260
local terms energy: -93.946088
where:
bonds (distance) C4'-P energy: -22.102
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -18.599
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -18.168
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: 9
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -313.467789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.467789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.467789 (E_RNA)
where:
Base-Base interactions energy: -212.924
where: short stacking energy: -99.071
Base-Backbone interact. energy: 0.828
local terms energy: -101.372023
where:
bonds (distance) C4'-P energy: -22.427
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -20.038
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -28.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -238.530186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.530186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.530186 (E_RNA)
where:
Base-Base interactions energy: -155.080
where: short stacking energy: -72.740
Base-Backbone interact. energy: -0.162
local terms energy: -83.288250
where:
bonds (distance) C4'-P energy: -18.849
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -23.221
flat angles P-C4'-P energy: -5.582
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: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -219.911154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.911154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.911154 (E_RNA)
where:
Base-Base interactions energy: -137.884
where: short stacking energy: -67.242
Base-Backbone interact. energy: 0.093
local terms energy: -82.119997
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -19.077
flat angles C4'-P-C4' energy: -19.635
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -16.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -120.061840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.061840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.061840 (E_RNA)
where:
Base-Base interactions energy: -61.401
where: short stacking energy: -47.392
Base-Backbone interact. energy: -0.944
local terms energy: -57.717593
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -18.304
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -1.000
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: 5
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -112.906135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.906135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.906135 (E_RNA)
where:
Base-Base interactions energy: -47.200
where: short stacking energy: -36.713
Base-Backbone interact. energy: -0.360
local terms energy: -65.345728
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -14.041
tors. eta vs tors. theta energy: -2.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -124.957333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.957333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.957333 (E_RNA)
where:
Base-Base interactions energy: -55.030
where: short stacking energy: -54.162
Base-Backbone interact. energy: 2.297
local terms energy: -72.224614
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -9.627
flat angles P-C4'-P energy: -9.785
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: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -108.676719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.676719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.676719 (E_RNA)
where:
Base-Base interactions energy: -50.472
where: short stacking energy: -41.335
Base-Backbone interact. energy: -0.204
local terms energy: -58.000850
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -6.372
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -10.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -336.946099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.946099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.946099 (E_RNA)
where:
Base-Base interactions energy: -231.003
where: short stacking energy: -105.022
Base-Backbone interact. energy: -0.299
local terms energy: -105.643280
where:
bonds (distance) C4'-P energy: -19.168
bonds (distance) P-C4' energy: -19.903
flat angles C4'-P-C4' energy: -22.754
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -31.121
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: 7
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -320.887282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.887282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.887282 (E_RNA)
where:
Base-Base interactions energy: -208.548
where: short stacking energy: -86.691
Base-Backbone interact. energy: -0.518
local terms energy: -111.821405
where:
bonds (distance) C4'-P energy: -20.804
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -23.626
flat angles P-C4'-P energy: -21.160
tors. eta vs tors. theta energy: -25.219
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: 10
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -282.227686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.227686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.227686 (E_RNA)
where:
Base-Base interactions energy: -203.829
where: short stacking energy: -74.259
Base-Backbone interact. energy: -0.362
local terms energy: -78.035892
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -18.858
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -16.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -310.585629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.585629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.585629 (E_RNA)
where:
Base-Base interactions energy: -216.119
where: short stacking energy: -94.096
Base-Backbone interact. energy: -0.091
local terms energy: -94.374946
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -30.835
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: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -208.876606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.876606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.876606 (E_RNA)
where:
Base-Base interactions energy: -134.534
where: short stacking energy: -64.615
Base-Backbone interact. energy: -0.271
local terms energy: -74.071198
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -9.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -219.183460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.183460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.183460 (E_RNA)
where:
Base-Base interactions energy: -138.401
where: short stacking energy: -74.424
Base-Backbone interact. energy: -0.101
local terms energy: -80.681787
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -19.938
flat angles P-C4'-P energy: -8.460
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: 7, replica: 1
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -126.970093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.970093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.970093 (E_RNA)
where:
Base-Base interactions energy: -53.777
where: short stacking energy: -39.345
Base-Backbone interact. energy: -1.418
local terms energy: -71.774288
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -19.626
flat angles C4'-P-C4' energy: -23.271
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -2.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -118.233149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.233149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.233149 (E_RNA)
where:
Base-Base interactions energy: -44.778
where: short stacking energy: -40.360
Base-Backbone interact. energy: -0.274
local terms energy: -73.181244
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -10.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -103.023491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.023491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.023491 (E_RNA)
where:
Base-Base interactions energy: -54.187
where: short stacking energy: -38.655
Base-Backbone interact. energy: -0.138
local terms energy: -48.698470
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -3.229
tors. eta vs tors. theta energy: -3.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -106.219961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.219961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.219961 (E_RNA)
where:
Base-Base interactions energy: -50.963
where: short stacking energy: -30.272
Base-Backbone interact. energy: -0.346
local terms energy: -54.910641
where:
bonds (distance) C4'-P energy: -21.897
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -9.134
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: 1, replica: 7
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -320.202504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.202504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.202504 (E_RNA)
where:
Base-Base interactions energy: -218.502
where: short stacking energy: -88.805
Base-Backbone interact. energy: -0.161
local terms energy: -101.540262
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -21.202
flat angles P-C4'-P energy: -16.308
tors. eta vs tors. theta energy: -25.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -320.851392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.851392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.851392 (E_RNA)
where:
Base-Base interactions energy: -219.633
where: short stacking energy: -90.841
Base-Backbone interact. energy: -0.695
local terms energy: -100.523552
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -28.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -328.732132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.732132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.732132 (E_RNA)
where:
Base-Base interactions energy: -224.161
where: short stacking energy: -89.073
Base-Backbone interact. energy: -0.175
local terms energy: -104.396247
where:
bonds (distance) C4'-P energy: -20.887
bonds (distance) P-C4' energy: -22.707
flat angles C4'-P-C4' energy: -22.777
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -27.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -288.544672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.544672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.544672 (E_RNA)
where:
Base-Base interactions energy: -202.566
where: short stacking energy: -86.470
Base-Backbone interact. energy: -0.927
local terms energy: -85.051474
where:
bonds (distance) C4'-P energy: -22.036
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -18.808
flat angles P-C4'-P energy: -2.866
tors. eta vs tors. theta energy: -21.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -224.463336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.463336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.463336 (E_RNA)
where:
Base-Base interactions energy: -137.947
where: short stacking energy: -73.904
Base-Backbone interact. energy: -0.291
local terms energy: -86.225743
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -22.425
flat angles C4'-P-C4' energy: -20.458
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -21.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -230.735223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.735223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.735223 (E_RNA)
where:
Base-Base interactions energy: -148.611
where: short stacking energy: -50.412
Base-Backbone interact. energy: -0.064
local terms energy: -82.060089
where:
bonds (distance) C4'-P energy: -18.457
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -9.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -127.351559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.351559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.351559 (E_RNA)
where:
Base-Base interactions energy: -55.674
where: short stacking energy: -44.442
Base-Backbone interact. energy: -0.138
local terms energy: -71.539226
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -11.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -123.917052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.917052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.917052 (E_RNA)
where:
Base-Base interactions energy: -60.029
where: short stacking energy: -34.377
Base-Backbone interact. energy: 2.298
local terms energy: -66.186317
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -116.794538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.794538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.794538 (E_RNA)
where:
Base-Base interactions energy: -53.258
where: short stacking energy: -37.075
Base-Backbone interact. energy: -1.733
local terms energy: -61.803700
where:
bonds (distance) C4'-P energy: -9.712
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -22.064
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: 1.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -107.522122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.522122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.522122 (E_RNA)
where:
Base-Base interactions energy: -37.506
where: short stacking energy: -32.524
Base-Backbone interact. energy: -0.287
local terms energy: -69.728268
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -19.120
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -3.643
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: 155
Temperature: 0.900000
Total energy: -331.713364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.713364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.713364 (E_RNA)
where:
Base-Base interactions energy: -223.286
where: short stacking energy: -99.731
Base-Backbone interact. energy: -0.103
local terms energy: -108.325255
where:
bonds (distance) C4'-P energy: -21.707
bonds (distance) P-C4' energy: -21.155
flat angles C4'-P-C4' energy: -23.521
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -27.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -333.434783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.434783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.434783 (E_RNA)
where:
Base-Base interactions energy: -233.006
where: short stacking energy: -89.739
Base-Backbone interact. energy: -0.288
local terms energy: -100.140918
where:
bonds (distance) C4'-P energy: -19.649
bonds (distance) P-C4' energy: -24.329
flat angles C4'-P-C4' energy: -20.715
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -24.855
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: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -314.761139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.761139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.761139 (E_RNA)
where:
Base-Base interactions energy: -216.874
where: short stacking energy: -96.380
Base-Backbone interact. energy: -0.095
local terms energy: -97.792089
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -20.209
flat angles C4'-P-C4' energy: -22.980
flat angles P-C4'-P energy: -14.443
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: 4, replica: 10
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -280.181381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.181381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.181381 (E_RNA)
where:
Base-Base interactions energy: -189.789
where: short stacking energy: -71.862
Base-Backbone interact. energy: 1.361
local terms energy: -91.753996
where:
bonds (distance) C4'-P energy: -20.251
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -22.003
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -16.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -236.992984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.992984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.992984 (E_RNA)
where:
Base-Base interactions energy: -145.838
where: short stacking energy: -69.376
Base-Backbone interact. energy: -0.746
local terms energy: -90.409646
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -17.565
tors. eta vs tors. theta energy: -18.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -236.449189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.449189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.449189 (E_RNA)
where:
Base-Base interactions energy: -163.591
where: short stacking energy: -61.319
Base-Backbone interact. energy: 4.789
local terms energy: -77.646914
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -20.297
flat angles C4'-P-C4' energy: -21.336
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -10.779
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: 6
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -132.573092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.573092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.573092 (E_RNA)
where:
Base-Base interactions energy: -53.162
where: short stacking energy: -42.212
Base-Backbone interact. energy: -0.051
local terms energy: -79.359735
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -9.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -133.404313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.404313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.404313 (E_RNA)
where:
Base-Base interactions energy: -56.608
where: short stacking energy: -48.569
Base-Backbone interact. energy: 0.745
local terms energy: -77.541505
where:
bonds (distance) C4'-P energy: -17.583
bonds (distance) P-C4' energy: -23.642
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -6.780
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: 9, replica: 1
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -137.190237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.190237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.190237 (E_RNA)
where:
Base-Base interactions energy: -74.601
where: short stacking energy: -27.183
Base-Backbone interact. energy: 1.235
local terms energy: -63.824076
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -18.571
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -2.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -104.311039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.311039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.311039 (E_RNA)
where:
Base-Base interactions energy: -43.682
where: short stacking energy: -23.681
Base-Backbone interact. energy: -0.475
local terms energy: -60.154848
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -10.704
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: 7
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -325.508979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.508979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.508979 (E_RNA)
where:
Base-Base interactions energy: -224.283
where: short stacking energy: -100.232
Base-Backbone interact. energy: -0.242
local terms energy: -100.984517
where:
bonds (distance) C4'-P energy: -18.427
bonds (distance) P-C4' energy: -19.022
flat angles C4'-P-C4' energy: -24.886
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -26.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -319.881707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.881707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.881707 (E_RNA)
where:
Base-Base interactions energy: -213.933
where: short stacking energy: -94.876
Base-Backbone interact. energy: -0.073
local terms energy: -105.875928
where:
bonds (distance) C4'-P energy: -19.222
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -23.429
flat angles P-C4'-P energy: -16.093
tors. eta vs tors. theta energy: -26.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -317.796438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.796438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.796438 (E_RNA)
where:
Base-Base interactions energy: -210.067
where: short stacking energy: -88.114
Base-Backbone interact. energy: -0.433
local terms energy: -107.296005
where:
bonds (distance) C4'-P energy: -22.094
bonds (distance) P-C4' energy: -20.891
flat angles C4'-P-C4' energy: -19.889
flat angles P-C4'-P energy: -17.645
tors. eta vs tors. theta energy: -26.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -281.185082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.185082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.185082 (E_RNA)
where:
Base-Base interactions energy: -195.131
where: short stacking energy: -83.794
Base-Backbone interact. energy: 4.602
local terms energy: -90.655937
where:
bonds (distance) C4'-P energy: -20.436
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -16.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -233.856646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.856646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.856646 (E_RNA)
where:
Base-Base interactions energy: -147.247
where: short stacking energy: -69.998
Base-Backbone interact. energy: -0.064
local terms energy: -86.545820
where:
bonds (distance) C4'-P energy: -19.193
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: -16.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -212.450707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.450707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.450707 (E_RNA)
where:
Base-Base interactions energy: -130.856
where: short stacking energy: -63.111
Base-Backbone interact. energy: -1.309
local terms energy: -80.285903
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -20.232
flat angles C4'-P-C4' energy: -19.547
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -15.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -144.724118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.724118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.724118 (E_RNA)
where:
Base-Base interactions energy: -61.628
where: short stacking energy: -56.767
Base-Backbone interact. energy: 0.017
local terms energy: -83.112768
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -21.607
flat angles C4'-P-C4' energy: -20.592
flat angles P-C4'-P energy: -16.519
tors. eta vs tors. theta energy: -8.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -111.948640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.948640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.948640 (E_RNA)
where:
Base-Base interactions energy: -36.308
where: short stacking energy: -29.436
Base-Backbone interact. energy: -0.163
local terms energy: -75.477402
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -20.992
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -4.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -115.694994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.694994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.694994 (E_RNA)
where:
Base-Base interactions energy: -48.137
where: short stacking energy: -34.331
Base-Backbone interact. energy: 0.486
local terms energy: -68.044161
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -2.752
tors. eta vs tors. theta energy: -9.340
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: 1
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -106.365363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.365363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.365363 (E_RNA)
where:
Base-Base interactions energy: -52.300
where: short stacking energy: -29.327
Base-Backbone interact. energy: -0.195
local terms energy: -53.869887
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: 1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -325.435603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.435603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.435603 (E_RNA)
where:
Base-Base interactions energy: -227.749
where: short stacking energy: -82.537
Base-Backbone interact. energy: -0.014
local terms energy: -97.673352
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -18.452
flat angles C4'-P-C4' energy: -20.538
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -24.229
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: 2, replica: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -323.342170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.342170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.342170 (E_RNA)
where:
Base-Base interactions energy: -214.007
where: short stacking energy: -97.605
Base-Backbone interact. energy: -0.190
local terms energy: -109.145452
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -25.015
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -29.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -324.979795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.979795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.979795 (E_RNA)
where:
Base-Base interactions energy: -223.250
where: short stacking energy: -87.767
Base-Backbone interact. energy: 2.315
local terms energy: -104.045486
where:
bonds (distance) C4'-P energy: -19.105
bonds (distance) P-C4' energy: -21.598
flat angles C4'-P-C4' energy: -22.891
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -23.919
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: 10
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -258.122980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.122980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.122980 (E_RNA)
where:
Base-Base interactions energy: -170.274
where: short stacking energy: -73.141
Base-Backbone interact. energy: -0.421
local terms energy: -87.428160
where:
bonds (distance) C4'-P energy: -21.491
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -23.313
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -11.763
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: 3
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -240.800667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.800667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.800667 (E_RNA)
where:
Base-Base interactions energy: -146.673
where: short stacking energy: -72.204
Base-Backbone interact. energy: 0.248
local terms energy: -94.376074
where:
bonds (distance) C4'-P energy: -21.792
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -16.854
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: 157
Temperature: 1.150000
Total energy: -211.985815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.985815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.985815 (E_RNA)
where:
Base-Base interactions energy: -138.593
where: short stacking energy: -68.908
Base-Backbone interact. energy: -0.764
local terms energy: -72.628557
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -6.447
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: 7, replica: 5
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -172.042625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.042625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.042625 (E_RNA)
where:
Base-Base interactions energy: -112.865
where: short stacking energy: -48.567
Base-Backbone interact. energy: 0.042
local terms energy: -59.219012
where:
bonds (distance) C4'-P energy: -18.784
bonds (distance) P-C4' energy: -10.797
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -3.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -117.073795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.073795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.073795 (E_RNA)
where:
Base-Base interactions energy: -52.202
where: short stacking energy: -37.299
Base-Backbone interact. energy: -0.612
local terms energy: -64.259851
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -4.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -115.156223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.156223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.156223 (E_RNA)
where:
Base-Base interactions energy: -44.165
where: short stacking energy: -44.165
Base-Backbone interact. energy: -0.132
local terms energy: -70.858851
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -9.881
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -9.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -102.622947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.622947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.622947 (E_RNA)
where:
Base-Base interactions energy: -33.506
where: short stacking energy: -26.116
Base-Backbone interact. energy: -0.815
local terms energy: -68.302056
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -18.872
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -17.691
tors. eta vs tors. theta energy: -1.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -338.221437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.221437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.221437 (E_RNA)
where:
Base-Base interactions energy: -227.453
where: short stacking energy: -90.768
Base-Backbone interact. energy: -0.891
local terms energy: -109.876519
where:
bonds (distance) C4'-P energy: -21.358
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -16.404
tors. eta vs tors. theta energy: -26.523
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: 2
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -321.365516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.365516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.365516 (E_RNA)
where:
Base-Base interactions energy: -217.488
where: short stacking energy: -94.459
Base-Backbone interact. energy: -0.199
local terms energy: -103.678872
where:
bonds (distance) C4'-P energy: -21.197
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -23.287
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -27.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -310.356412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.356412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.356412 (E_RNA)
where:
Base-Base interactions energy: -210.203
where: short stacking energy: -88.512
Base-Backbone interact. energy: -0.241
local terms energy: -99.912414
where:
bonds (distance) C4'-P energy: -19.707
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -22.255
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -22.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -276.504765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.504765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.504765 (E_RNA)
where:
Base-Base interactions energy: -192.017
where: short stacking energy: -75.731
Base-Backbone interact. energy: -0.235
local terms energy: -84.253234
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: -20.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -221.006033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.006033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.006033 (E_RNA)
where:
Base-Base interactions energy: -136.749
where: short stacking energy: -70.881
Base-Backbone interact. energy: 1.228
local terms energy: -85.485871
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -20.312
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -14.484
tors. eta vs tors. theta energy: -15.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -184.348002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.348002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.348002 (E_RNA)
where:
Base-Base interactions energy: -103.863
where: short stacking energy: -54.267
Base-Backbone interact. energy: -0.523
local terms energy: -79.961863
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -20.610
flat angles C4'-P-C4' energy: -22.587
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -8.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -149.434943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.434943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.434943 (E_RNA)
where:
Base-Base interactions energy: -74.292
where: short stacking energy: -51.894
Base-Backbone interact. energy: -0.111
local terms energy: -75.031326
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -9.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -164.957691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.957691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.957691 (E_RNA)
where:
Base-Base interactions energy: -94.046
where: short stacking energy: -54.209
Base-Backbone interact. energy: -0.152
local terms energy: -70.759327
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -21.275
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -6.340
tors. eta vs tors. theta energy: -8.174
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: 9, replica: 1
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -102.948060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.948060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.948060 (E_RNA)
where:
Base-Base interactions energy: -42.711
where: short stacking energy: -42.711
Base-Backbone interact. energy: -0.329
local terms energy: -59.908473
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -20.596
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -1.493
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: 10, replica: 8
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -99.084158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.084158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.084158 (E_RNA)
where:
Base-Base interactions energy: -42.380
where: short stacking energy: -36.181
Base-Backbone interact. energy: -0.228
local terms energy: -56.476118
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -5.064
tors. eta vs tors. theta energy: -0.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -333.266684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.266684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.266684 (E_RNA)
where:
Base-Base interactions energy: -223.647
where: short stacking energy: -98.644
Base-Backbone interact. energy: -0.646
local terms energy: -108.974587
where:
bonds (distance) C4'-P energy: -19.633
bonds (distance) P-C4' energy: -20.439
flat angles C4'-P-C4' energy: -22.465
flat angles P-C4'-P energy: -15.682
tors. eta vs tors. theta energy: -30.757
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: 9
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -331.528530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.528530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.528530 (E_RNA)
where:
Base-Base interactions energy: -226.441
where: short stacking energy: -101.070
Base-Backbone interact. energy: -0.260
local terms energy: -104.827425
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -23.750
flat angles P-C4'-P energy: -15.864
tors. eta vs tors. theta energy: -30.799
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: 159
Temperature: 1.000000
Total energy: -315.885646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.885646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.885646 (E_RNA)
where:
Base-Base interactions energy: -215.506
where: short stacking energy: -94.441
Base-Backbone interact. energy: -0.142
local terms energy: -100.238026
where:
bonds (distance) C4'-P energy: -23.097
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -20.299
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: -26.378
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: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -280.762262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.762262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.762262 (E_RNA)
where:
Base-Base interactions energy: -188.081
where: short stacking energy: -83.196
Base-Backbone interact. energy: -0.602
local terms energy: -92.079398
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -17.733
tors. eta vs tors. theta energy: -21.539
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: 159
Temperature: 1.100000
Total energy: -237.920749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.920749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.920749 (E_RNA)
where:
Base-Base interactions energy: -138.168
where: short stacking energy: -79.840
Base-Backbone interact. energy: -0.095
local terms energy: -99.658018
where:
bonds (distance) C4'-P energy: -21.114
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -19.213
flat angles P-C4'-P energy: -16.511
tors. eta vs tors. theta energy: -23.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -186.715354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.715354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.715354 (E_RNA)
where:
Base-Base interactions energy: -109.716
where: short stacking energy: -45.276
Base-Backbone interact. energy: -0.488
local terms energy: -76.511054
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -8.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -121.341555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.341555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.341555 (E_RNA)
where:
Base-Base interactions energy: -52.183
where: short stacking energy: -34.717
Base-Backbone interact. energy: -1.133
local terms energy: -68.024808
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -3.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -114.764791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.764791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.764791 (E_RNA)
where:
Base-Base interactions energy: -48.306
where: short stacking energy: -48.296
Base-Backbone interact. energy: 1.394
local terms energy: -67.852053
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -17.512
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -7.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -97.523779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.523779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.523779 (E_RNA)
where:
Base-Base interactions energy: -39.238
where: short stacking energy: -35.376
Base-Backbone interact. energy: -0.966
local terms energy: -57.319203
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -16.577
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: 2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -98.557020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.557020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.557020 (E_RNA)
where:
Base-Base interactions energy: -28.764
where: short stacking energy: -28.066
Base-Backbone interact. energy: 0.529
local terms energy: -70.321358
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -2.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -332.356426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.356426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.356426 (E_RNA)
where:
Base-Base interactions energy: -227.118
where: short stacking energy: -97.212
Base-Backbone interact. energy: -0.163
local terms energy: -105.075632
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -22.425
flat angles C4'-P-C4' energy: -22.137
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -25.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -330.687459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.687459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.687459 (E_RNA)
where:
Base-Base interactions energy: -223.836
where: short stacking energy: -100.547
Base-Backbone interact. energy: -0.360
local terms energy: -106.491981
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -23.506
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -30.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -312.090928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.090928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.090928 (E_RNA)
where:
Base-Base interactions energy: -213.498
where: short stacking energy: -94.336
Base-Backbone interact. energy: -0.138
local terms energy: -98.455421
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -22.971
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -22.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -286.559666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.559666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.559666 (E_RNA)
where:
Base-Base interactions energy: -200.900
where: short stacking energy: -66.903
Base-Backbone interact. energy: -0.490
local terms energy: -85.168874
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -18.913
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -18.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -217.422429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.422429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.422429 (E_RNA)
where:
Base-Base interactions energy: -134.664
where: short stacking energy: -60.346
Base-Backbone interact. energy: -0.374
local terms energy: -82.385111
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -19.150
flat angles P-C4'-P energy: -15.200
tors. eta vs tors. theta energy: -13.724
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: 3
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -185.430457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.430457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.430457 (E_RNA)
where:
Base-Base interactions energy: -117.904
where: short stacking energy: -57.661
Base-Backbone interact. energy: -0.149
local terms energy: -67.376674
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -8.800
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: 1
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -125.876780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.876780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.876780 (E_RNA)
where:
Base-Base interactions energy: -53.038
where: short stacking energy: -49.058
Base-Backbone interact. energy: -0.173
local terms energy: -72.666713
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -9.992
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: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -122.930889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.930889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.930889 (E_RNA)
where:
Base-Base interactions energy: -49.751
where: short stacking energy: -39.221
Base-Backbone interact. energy: 0.840
local terms energy: -74.019930
where:
bonds (distance) C4'-P energy: -22.419
bonds (distance) P-C4' energy: -19.026
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -8.466
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: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -113.455719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.455719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.455719 (E_RNA)
where:
Base-Base interactions energy: -48.126
where: short stacking energy: -35.082
Base-Backbone interact. energy: 2.279
local terms energy: -67.608187
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -18.633
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -10.617
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: 5
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -101.035814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.035814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.035814 (E_RNA)
where:
Base-Base interactions energy: -29.073
where: short stacking energy: -28.792
Base-Backbone interact. energy: -0.447
local terms energy: -71.516022
where:
bonds (distance) C4'-P energy: -17.636
bonds (distance) P-C4' energy: -21.838
flat angles C4'-P-C4' energy: -19.948
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -2.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -330.426453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.426453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.426453 (E_RNA)
where:
Base-Base interactions energy: -222.869
where: short stacking energy: -100.274
Base-Backbone interact. energy: -0.187
local terms energy: -107.370724
where:
bonds (distance) C4'-P energy: -21.362
bonds (distance) P-C4' energy: -20.328
flat angles C4'-P-C4' energy: -24.401
flat angles P-C4'-P energy: -15.115
tors. eta vs tors. theta energy: -26.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -327.327682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.327682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.327682 (E_RNA)
where:
Base-Base interactions energy: -219.714
where: short stacking energy: -97.914
Base-Backbone interact. energy: 0.168
local terms energy: -107.782530
where:
bonds (distance) C4'-P energy: -20.382
bonds (distance) P-C4' energy: -19.742
flat angles C4'-P-C4' energy: -20.687
flat angles P-C4'-P energy: -15.174
tors. eta vs tors. theta energy: -31.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -317.162592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.162592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.162592 (E_RNA)
where:
Base-Base interactions energy: -216.258
where: short stacking energy: -85.812
Base-Backbone interact. energy: -0.467
local terms energy: -100.437908
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -20.171
flat angles C4'-P-C4' energy: -23.934
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -22.270
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: 161
Temperature: 1.050000
Total energy: -289.768239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.768239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.768239 (E_RNA)
where:
Base-Base interactions energy: -199.626
where: short stacking energy: -77.242
Base-Backbone interact. energy: -0.352
local terms energy: -89.789626
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -22.610
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -19.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -230.162133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.162133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.162133 (E_RNA)
where:
Base-Base interactions energy: -145.368
where: short stacking energy: -79.873
Base-Backbone interact. energy: -0.331
local terms energy: -84.463095
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -23.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -197.487085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.487085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.487085 (E_RNA)
where:
Base-Base interactions energy: -114.718
where: short stacking energy: -51.953
Base-Backbone interact. energy: -0.345
local terms energy: -82.424919
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -20.494
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -9.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -115.307524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.307524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.307524 (E_RNA)
where:
Base-Base interactions energy: -47.558
where: short stacking energy: -47.381
Base-Backbone interact. energy: -0.364
local terms energy: -67.384957
where:
bonds (distance) C4'-P energy: -19.603
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -8.218
flat angles P-C4'-P energy: -12.990
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: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -136.927382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.927382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.927382 (E_RNA)
where:
Base-Base interactions energy: -66.459
where: short stacking energy: -42.559
Base-Backbone interact. energy: 0.725
local terms energy: -71.193292
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -21.723
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -2.387
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: 6
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -102.038192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.038192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.038192 (E_RNA)
where:
Base-Base interactions energy: -39.621
where: short stacking energy: -36.577
Base-Backbone interact. energy: -0.103
local terms energy: -62.314029
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -109.087731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.087731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.087731 (E_RNA)
where:
Base-Base interactions energy: -54.997
where: short stacking energy: -28.394
Base-Backbone interact. energy: 0.019
local terms energy: -54.109944
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -21.381
flat angles C4'-P-C4' energy: -9.750
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -0.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -332.702509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.702509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.702509 (E_RNA)
where:
Base-Base interactions energy: -224.054
where: short stacking energy: -105.116
Base-Backbone interact. energy: -0.097
local terms energy: -108.551269
where:
bonds (distance) C4'-P energy: -21.020
bonds (distance) P-C4' energy: -20.928
flat angles C4'-P-C4' energy: -22.468
flat angles P-C4'-P energy: -15.606
tors. eta vs tors. theta energy: -28.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -327.500982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.500982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.500982 (E_RNA)
where:
Base-Base interactions energy: -225.417
where: short stacking energy: -86.207
Base-Backbone interact. energy: -0.203
local terms energy: -101.881272
where:
bonds (distance) C4'-P energy: -23.495
bonds (distance) P-C4' energy: -19.544
flat angles C4'-P-C4' energy: -19.965
flat angles P-C4'-P energy: -15.926
tors. eta vs tors. theta energy: -22.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -317.728900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.728900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.728900 (E_RNA)
where:
Base-Base interactions energy: -217.155
where: short stacking energy: -92.099
Base-Backbone interact. energy: -0.187
local terms energy: -100.387442
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -28.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -282.723367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.723367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.723367 (E_RNA)
where:
Base-Base interactions energy: -198.713
where: short stacking energy: -78.557
Base-Backbone interact. energy: -0.008
local terms energy: -84.001770
where:
bonds (distance) C4'-P energy: -17.817
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -16.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -236.501250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.501250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.501250 (E_RNA)
where:
Base-Base interactions energy: -139.634
where: short stacking energy: -76.298
Base-Backbone interact. energy: -0.093
local terms energy: -96.773737
where:
bonds (distance) C4'-P energy: -20.225
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -20.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -182.504630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.504630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.504630 (E_RNA)
where:
Base-Base interactions energy: -98.059
where: short stacking energy: -58.398
Base-Backbone interact. energy: -0.067
local terms energy: -84.378527
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -19.195
flat angles C4'-P-C4' energy: -21.476
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -14.918
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: 1
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -121.710164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.710164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.710164 (E_RNA)
where:
Base-Base interactions energy: -53.492
where: short stacking energy: -51.089
Base-Backbone interact. energy: -0.017
local terms energy: -68.201297
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -8.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -136.439741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.439741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.439741 (E_RNA)
where:
Base-Base interactions energy: -73.124
where: short stacking energy: -45.536
Base-Backbone interact. energy: -0.151
local terms energy: -63.164881
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -3.032
tors. eta vs tors. theta energy: -9.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -103.387418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.387418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.387418 (E_RNA)
where:
Base-Base interactions energy: -37.847
where: short stacking energy: -35.723
Base-Backbone interact. energy: -0.089
local terms energy: -65.451598
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -10.711
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: 5
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -107.491942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.491942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.491942 (E_RNA)
where:
Base-Base interactions energy: -36.637
where: short stacking energy: -35.463
Base-Backbone interact. energy: -0.298
local terms energy: -70.556866
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -21.364
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -5.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -337.502949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.502949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.502949 (E_RNA)
where:
Base-Base interactions energy: -230.789
where: short stacking energy: -99.918
Base-Backbone interact. energy: -0.122
local terms energy: -106.592592
where:
bonds (distance) C4'-P energy: -21.698
bonds (distance) P-C4' energy: -22.320
flat angles C4'-P-C4' energy: -23.885
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -28.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -310.328698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.328698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.328698 (E_RNA)
where:
Base-Base interactions energy: -210.096
where: short stacking energy: -91.425
Base-Backbone interact. energy: 2.130
local terms energy: -102.362279
where:
bonds (distance) C4'-P energy: -21.625
bonds (distance) P-C4' energy: -21.496
flat angles C4'-P-C4' energy: -22.817
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -24.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -313.523483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.523483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.523483 (E_RNA)
where:
Base-Base interactions energy: -215.738
where: short stacking energy: -90.737
Base-Backbone interact. energy: -0.377
local terms energy: -97.407966
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -26.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -281.757992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.757992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.757992 (E_RNA)
where:
Base-Base interactions energy: -195.603
where: short stacking energy: -82.505
Base-Backbone interact. energy: -0.200
local terms energy: -85.954307
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -19.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -226.595935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.595935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.595935 (E_RNA)
where:
Base-Base interactions energy: -137.508
where: short stacking energy: -80.531
Base-Backbone interact. energy: -0.002
local terms energy: -89.086023
where:
bonds (distance) C4'-P energy: -20.613
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -21.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -195.101814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.101814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.101814 (E_RNA)
where:
Base-Base interactions energy: -117.738
where: short stacking energy: -72.749
Base-Backbone interact. energy: -0.021
local terms energy: -77.343271
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -19.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -124.347375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.347375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.347375 (E_RNA)
where:
Base-Base interactions energy: -52.833
where: short stacking energy: -43.926
Base-Backbone interact. energy: 0.485
local terms energy: -72.000050
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -8.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -110.524482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.524482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.524482 (E_RNA)
where:
Base-Base interactions energy: -45.636
where: short stacking energy: -38.494
Base-Backbone interact. energy: -0.304
local terms energy: -64.585049
where:
bonds (distance) C4'-P energy: -18.416
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -11.525
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: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -101.702735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.702735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.702735 (E_RNA)
where:
Base-Base interactions energy: -39.104
where: short stacking energy: -35.704
Base-Backbone interact. energy: -0.361
local terms energy: -62.238194
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -20.174
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -2.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -100.075322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.075322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.075322 (E_RNA)
where:
Base-Base interactions energy: -40.362
where: short stacking energy: -35.660
Base-Backbone interact. energy: -1.627
local terms energy: -58.086252
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -12.328
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: 1, replica: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -332.180907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.180907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.180907 (E_RNA)
where:
Base-Base interactions energy: -229.807
where: short stacking energy: -103.904
Base-Backbone interact. energy: -0.248
local terms energy: -102.125722
where:
bonds (distance) C4'-P energy: -19.963
bonds (distance) P-C4' energy: -21.404
flat angles C4'-P-C4' energy: -20.847
flat angles P-C4'-P energy: -13.520
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: 7
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -321.310995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.310995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.310995 (E_RNA)
where:
Base-Base interactions energy: -227.811
where: short stacking energy: -101.967
Base-Backbone interact. energy: -0.081
local terms energy: -93.418606
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -22.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -289.619000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.619000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.619000 (E_RNA)
where:
Base-Base interactions energy: -202.048
where: short stacking energy: -79.249
Base-Backbone interact. energy: -0.302
local terms energy: -87.268412
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -20.806
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -18.972
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: 164
Temperature: 1.050000
Total energy: -309.075543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.075543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.075543 (E_RNA)
where:
Base-Base interactions energy: -210.295
where: short stacking energy: -92.359
Base-Backbone interact. energy: -0.110
local terms energy: -98.670729
where:
bonds (distance) C4'-P energy: -20.592
bonds (distance) P-C4' energy: -20.096
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -28.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -226.256469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.256469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.256469 (E_RNA)
where:
Base-Base interactions energy: -138.312
where: short stacking energy: -70.703
Base-Backbone interact. energy: 0.334
local terms energy: -88.278073
where:
bonds (distance) C4'-P energy: -21.660
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -13.357
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: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -175.408106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.408106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.408106 (E_RNA)
where:
Base-Base interactions energy: -92.692
where: short stacking energy: -45.174
Base-Backbone interact. energy: 0.008
local terms energy: -82.723521
where:
bonds (distance) C4'-P energy: -20.171
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -18.840
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -6.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -113.017023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.017023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.017023 (E_RNA)
where:
Base-Base interactions energy: -44.217
where: short stacking energy: -39.402
Base-Backbone interact. energy: 1.056
local terms energy: -69.855523
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -7.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -137.449291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.449291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.449291 (E_RNA)
where:
Base-Base interactions energy: -64.225
where: short stacking energy: -53.087
Base-Backbone interact. energy: -0.144
local terms energy: -73.080266
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -11.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -104.786514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.786514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.786514 (E_RNA)
where:
Base-Base interactions energy: -37.495
where: short stacking energy: -26.678
Base-Backbone interact. energy: -0.248
local terms energy: -67.042972
where:
bonds (distance) C4'-P energy: -19.288
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: 3.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -101.769214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.769214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.769214 (E_RNA)
where:
Base-Base interactions energy: -35.224
where: short stacking energy: -35.224
Base-Backbone interact. energy: 0.041
local terms energy: -66.586967
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -19.638
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -0.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -336.030727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.030727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.030727 (E_RNA)
where:
Base-Base interactions energy: -225.127
where: short stacking energy: -102.063
Base-Backbone interact. energy: -0.273
local terms energy: -110.630964
where:
bonds (distance) C4'-P energy: -21.847
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -25.092
flat angles P-C4'-P energy: -19.706
tors. eta vs tors. theta energy: -23.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -330.598605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.598605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.598605 (E_RNA)
where:
Base-Base interactions energy: -227.370
where: short stacking energy: -90.216
Base-Backbone interact. energy: -0.090
local terms energy: -103.138351
where:
bonds (distance) C4'-P energy: -21.096
bonds (distance) P-C4' energy: -23.289
flat angles C4'-P-C4' energy: -20.567
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -24.580
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: 10
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -301.941880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.941880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.941880 (E_RNA)
where:
Base-Base interactions energy: -213.455
where: short stacking energy: -81.110
Base-Backbone interact. energy: 0.710
local terms energy: -89.196291
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -20.058
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -20.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -310.026418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.026418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.026418 (E_RNA)
where:
Base-Base interactions energy: -211.896
where: short stacking energy: -84.477
Base-Backbone interact. energy: -0.148
local terms energy: -97.983056
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -15.693
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: 5, replica: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -223.252813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.252813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.252813 (E_RNA)
where:
Base-Base interactions energy: -143.017
where: short stacking energy: -72.496
Base-Backbone interact. energy: -0.241
local terms energy: -79.994897
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -16.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -192.868762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.868762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.868762 (E_RNA)
where:
Base-Base interactions energy: -104.014
where: short stacking energy: -67.590
Base-Backbone interact. energy: -0.128
local terms energy: -88.726864
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -21.077
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -17.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -149.687026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.687026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.687026 (E_RNA)
where:
Base-Base interactions energy: -78.832
where: short stacking energy: -47.914
Base-Backbone interact. energy: -0.235
local terms energy: -70.620145
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -4.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -120.966304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.966304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.966304 (E_RNA)
where:
Base-Base interactions energy: -63.078
where: short stacking energy: -44.057
Base-Backbone interact. energy: -0.229
local terms energy: -57.660036
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -3.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -113.008133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.008133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.008133 (E_RNA)
where:
Base-Base interactions energy: -52.676
where: short stacking energy: -44.098
Base-Backbone interact. energy: 0.916
local terms energy: -61.247518
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -7.962
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -97.600237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.600237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.600237 (E_RNA)
where:
Base-Base interactions energy: -37.935
where: short stacking energy: -27.870
Base-Backbone interact. energy: 0.892
local terms energy: -60.557090
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -14.691
tors. eta vs tors. theta energy: -3.584
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: 166
Temperature: 0.900000
Total energy: -332.515678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.515678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.515678 (E_RNA)
where:
Base-Base interactions energy: -221.651
where: short stacking energy: -92.806
Base-Backbone interact. energy: -0.848
local terms energy: -110.016503
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -24.143
flat angles C4'-P-C4' energy: -23.251
flat angles P-C4'-P energy: -15.638
tors. eta vs tors. theta energy: -27.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -326.330821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.330821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.330821 (E_RNA)
where:
Base-Base interactions energy: -216.075
where: short stacking energy: -94.712
Base-Backbone interact. energy: -0.146
local terms energy: -110.109596
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -23.877
flat angles C4'-P-C4' energy: -25.603
flat angles P-C4'-P energy: -15.890
tors. eta vs tors. theta energy: -28.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -318.257664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.257664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.257664 (E_RNA)
where:
Base-Base interactions energy: -219.148
where: short stacking energy: -89.918
Base-Backbone interact. energy: -0.580
local terms energy: -98.529857
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -20.447
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -27.525
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: 4, replica: 10
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -303.968871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.968871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.968871 (E_RNA)
where:
Base-Base interactions energy: -219.682
where: short stacking energy: -76.297
Base-Backbone interact. energy: -0.767
local terms energy: -83.520148
where:
bonds (distance) C4'-P energy: -20.167
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -18.322
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -197.582250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.582250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.582250 (E_RNA)
where:
Base-Base interactions energy: -111.851
where: short stacking energy: -58.797
Base-Backbone interact. energy: -0.207
local terms energy: -85.524064
where:
bonds (distance) C4'-P energy: -20.481
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -22.255
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -10.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -234.155018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.155018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.155018 (E_RNA)
where:
Base-Base interactions energy: -144.889
where: short stacking energy: -78.150
Base-Backbone interact. energy: -0.147
local terms energy: -89.119228
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -22.022
flat angles C4'-P-C4' energy: -21.187
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -18.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -204.950557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.950557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.950557 (E_RNA)
where:
Base-Base interactions energy: -140.359
where: short stacking energy: -62.465
Base-Backbone interact. energy: -0.021
local terms energy: -64.570821
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -17.705
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -8.248
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: 8, replica: 1
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -120.849050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.849050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.849050 (E_RNA)
where:
Base-Base interactions energy: -47.470
where: short stacking energy: -44.621
Base-Backbone interact. energy: -0.096
local terms energy: -73.283105
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -12.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -103.532537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.532537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.532537 (E_RNA)
where:
Base-Base interactions energy: -40.390
where: short stacking energy: -30.271
Base-Backbone interact. energy: -0.493
local terms energy: -62.650219
where:
bonds (distance) C4'-P energy: -17.860
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: 0.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -101.021932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.021932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.021932 (E_RNA)
where:
Base-Base interactions energy: -29.806
where: short stacking energy: -29.806
Base-Backbone interact. energy: -0.212
local terms energy: -71.004733
where:
bonds (distance) C4'-P energy: -21.407
bonds (distance) P-C4' energy: -22.533
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -0.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -331.934445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.934445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.934445 (E_RNA)
where:
Base-Base interactions energy: -225.258
where: short stacking energy: -97.781
Base-Backbone interact. energy: 0.564
local terms energy: -107.240452
where:
bonds (distance) C4'-P energy: -22.516
bonds (distance) P-C4' energy: -22.956
flat angles C4'-P-C4' energy: -22.041
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -22.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -327.630827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.630827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.630827 (E_RNA)
where:
Base-Base interactions energy: -220.994
where: short stacking energy: -97.463
Base-Backbone interact. energy: -0.603
local terms energy: -106.033753
where:
bonds (distance) C4'-P energy: -21.966
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -29.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -311.636154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.636154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.636154 (E_RNA)
where:
Base-Base interactions energy: -218.740
where: short stacking energy: -89.838
Base-Backbone interact. energy: 0.143
local terms energy: -93.039224
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -21.166
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -20.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -284.439273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.439273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.439273 (E_RNA)
where:
Base-Base interactions energy: -206.217
where: short stacking energy: -79.968
Base-Backbone interact. energy: -0.282
local terms energy: -77.941000
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -19.223
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -22.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -207.974589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.974589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.974589 (E_RNA)
where:
Base-Base interactions energy: -124.215
where: short stacking energy: -60.855
Base-Backbone interact. energy: -0.779
local terms energy: -82.980372
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -19.240
flat angles P-C4'-P energy: -15.357
tors. eta vs tors. theta energy: -15.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -206.797974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.797974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.797974 (E_RNA)
where:
Base-Base interactions energy: -129.039
where: short stacking energy: -65.744
Base-Backbone interact. energy: -0.094
local terms energy: -77.664294
where:
bonds (distance) C4'-P energy: -16.518
bonds (distance) P-C4' energy: -17.931
flat angles C4'-P-C4' energy: -19.418
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -12.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -200.423959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.423959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.423959 (E_RNA)
where:
Base-Base interactions energy: -113.364
where: short stacking energy: -57.199
Base-Backbone interact. energy: -0.111
local terms energy: -86.948367
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -16.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -118.786843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.786843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.786843 (E_RNA)
where:
Base-Base interactions energy: -49.361
where: short stacking energy: -35.100
Base-Backbone interact. energy: -0.276
local terms energy: -69.149956
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -19.666
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -4.773
tors. eta vs tors. theta energy: -8.198
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: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -102.981727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.981727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.981727 (E_RNA)
where:
Base-Base interactions energy: -35.485
where: short stacking energy: -32.372
Base-Backbone interact. energy: 0.335
local terms energy: -67.832077
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -11.442
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: 10, replica: 5
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -104.184732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.184732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.184732 (E_RNA)
where:
Base-Base interactions energy: -49.610
where: short stacking energy: -49.558
Base-Backbone interact. energy: 3.262
local terms energy: -57.836651
where:
bonds (distance) C4'-P energy: -9.084
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -18.813
flat angles P-C4'-P energy: -2.128
tors. eta vs tors. theta energy: -9.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -337.311144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.311144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.311144 (E_RNA)
where:
Base-Base interactions energy: -230.501
where: short stacking energy: -104.371
Base-Backbone interact. energy: -0.022
local terms energy: -106.788734
where:
bonds (distance) C4'-P energy: -20.194
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -23.786
flat angles P-C4'-P energy: -15.615
tors. eta vs tors. theta energy: -27.524
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: 9
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -320.629537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.629537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.629537 (E_RNA)
where:
Base-Base interactions energy: -217.306
where: short stacking energy: -92.735
Base-Backbone interact. energy: -0.028
local terms energy: -103.295263
where:
bonds (distance) C4'-P energy: -19.947
bonds (distance) P-C4' energy: -21.603
flat angles C4'-P-C4' energy: -22.317
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -26.562
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: 168
Temperature: 1.000000
Total energy: -297.785806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.785806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.785806 (E_RNA)
where:
Base-Base interactions energy: -201.800
where: short stacking energy: -77.437
Base-Backbone interact. energy: 2.703
local terms energy: -98.687981
where:
bonds (distance) C4'-P energy: -21.694
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -15.250
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: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -306.179234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.179234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.179234 (E_RNA)
where:
Base-Base interactions energy: -208.127
where: short stacking energy: -87.115
Base-Backbone interact. energy: 1.500
local terms energy: -99.553093
where:
bonds (distance) C4'-P energy: -21.458
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -21.809
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -18.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -226.287410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.287410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.287410 (E_RNA)
where:
Base-Base interactions energy: -137.142
where: short stacking energy: -62.108
Base-Backbone interact. energy: -0.216
local terms energy: -88.929203
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -23.218
flat angles P-C4'-P energy: -15.450
tors. eta vs tors. theta energy: -15.413
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: 6, replica: 3
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -215.897372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.897372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.897372 (E_RNA)
where:
Base-Base interactions energy: -141.530
where: short stacking energy: -59.588
Base-Backbone interact. energy: -0.255
local terms energy: -74.112123
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -10.238
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: 7, replica: 4
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -201.129872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.129872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.129872 (E_RNA)
where:
Base-Base interactions energy: -117.923
where: short stacking energy: -58.541
Base-Backbone interact. energy: -0.153
local terms energy: -83.053584
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -22.638
flat angles P-C4'-P energy: -15.348
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: 8, replica: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -105.522523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.522523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.522523 (E_RNA)
where:
Base-Base interactions energy: -39.523
where: short stacking energy: -36.008
Base-Backbone interact. energy: -0.783
local terms energy: -65.216709
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -11.238
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: 9, replica: 5
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -100.539833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.539833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.539833 (E_RNA)
where:
Base-Base interactions energy: -38.492
where: short stacking energy: -34.057
Base-Backbone interact. energy: -0.377
local terms energy: -61.670475
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -13.264
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: 1
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -102.266258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.266258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.266258 (E_RNA)
where:
Base-Base interactions energy: -34.467
where: short stacking energy: -25.865
Base-Backbone interact. energy: -0.253
local terms energy: -67.546591
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -5.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -331.536516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.536516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.536516 (E_RNA)
where:
Base-Base interactions energy: -221.650
where: short stacking energy: -96.723
Base-Backbone interact. energy: -0.199
local terms energy: -109.687836
where:
bonds (distance) C4'-P energy: -19.418
bonds (distance) P-C4' energy: -23.413
flat angles C4'-P-C4' energy: -22.833
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -28.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -318.553045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.553045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.553045 (E_RNA)
where:
Base-Base interactions energy: -221.384
where: short stacking energy: -84.238
Base-Backbone interact. energy: 2.537
local terms energy: -99.706888
where:
bonds (distance) C4'-P energy: -19.888
bonds (distance) P-C4' energy: -21.996
flat angles C4'-P-C4' energy: -22.266
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -23.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -328.940663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.940663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.940663 (E_RNA)
where:
Base-Base interactions energy: -222.930
where: short stacking energy: -104.819
Base-Backbone interact. energy: -1.547
local terms energy: -104.463893
where:
bonds (distance) C4'-P energy: -21.180
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -21.694
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -28.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -324.615631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.615631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.615631 (E_RNA)
where:
Base-Base interactions energy: -217.468
where: short stacking energy: -92.430
Base-Backbone interact. energy: -0.379
local terms energy: -106.769393
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -23.561
flat angles C4'-P-C4' energy: -24.291
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -24.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -223.410529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.410529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.410529 (E_RNA)
where:
Base-Base interactions energy: -129.911
where: short stacking energy: -67.901
Base-Backbone interact. energy: -0.423
local terms energy: -93.076418
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -22.827
flat angles C4'-P-C4' energy: -24.127
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -20.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -233.471455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.471455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.471455 (E_RNA)
where:
Base-Base interactions energy: -153.548
where: short stacking energy: -61.689
Base-Backbone interact. energy: -0.683
local terms energy: -79.240799
where:
bonds (distance) C4'-P energy: -21.443
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -20.164
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -8.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -122.957065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.957065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.957065 (E_RNA)
where:
Base-Base interactions energy: -49.747
where: short stacking energy: -50.347
Base-Backbone interact. energy: -0.242
local terms energy: -72.967929
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -19.282
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -10.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -98.123874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.123874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.123874 (E_RNA)
where:
Base-Base interactions energy: -35.644
where: short stacking energy: -35.644
Base-Backbone interact. energy: 0.331
local terms energy: -62.811690
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -3.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -123.214682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.214682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.214682 (E_RNA)
where:
Base-Base interactions energy: -56.760
where: short stacking energy: -33.906
Base-Backbone interact. energy: -0.342
local terms energy: -66.112087
where:
bonds (distance) C4'-P energy: -18.993
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -4.194
tors. eta vs tors. theta energy: -5.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -94.515676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.515676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.515676 (E_RNA)
where:
Base-Base interactions energy: -32.116
where: short stacking energy: -30.273
Base-Backbone interact. energy: -0.475
local terms energy: -61.925146
where:
bonds (distance) C4'-P energy: -20.970
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -2.454
tors. eta vs tors. theta energy: 0.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -336.392371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.392371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.392371 (E_RNA)
where:
Base-Base interactions energy: -228.421
where: short stacking energy: -101.164
Base-Backbone interact. energy: -0.150
local terms energy: -107.821973
where:
bonds (distance) C4'-P energy: -22.307
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -20.635
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -30.706
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: 10
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -315.688749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.688749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.688749 (E_RNA)
where:
Base-Base interactions energy: -228.427
where: short stacking energy: -81.378
Base-Backbone interact. energy: -0.846
local terms energy: -86.415919
where:
bonds (distance) C4'-P energy: -19.373
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -24.645
flat angles P-C4'-P energy: -3.892
tors. eta vs tors. theta energy: -18.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -318.848484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.848484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.848484 (E_RNA)
where:
Base-Base interactions energy: -210.409
where: short stacking energy: -94.121
Base-Backbone interact. energy: -0.307
local terms energy: -108.132854
where:
bonds (distance) C4'-P energy: -21.624
bonds (distance) P-C4' energy: -20.937
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -16.076
tors. eta vs tors. theta energy: -27.298
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: 4, replica: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -309.175637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.175637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.175637 (E_RNA)
where:
Base-Base interactions energy: -210.846
where: short stacking energy: -85.627
Base-Backbone interact. energy: -0.323
local terms energy: -98.006560
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -21.862
flat angles C4'-P-C4' energy: -20.377
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -22.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -222.399461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.399461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.399461 (E_RNA)
where:
Base-Base interactions energy: -134.690
where: short stacking energy: -65.101
Base-Backbone interact. energy: -0.375
local terms energy: -87.335184
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -20.773
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -17.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -226.504533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.504533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.504533 (E_RNA)
where:
Base-Base interactions energy: -146.356
where: short stacking energy: -81.371
Base-Backbone interact. energy: -0.131
local terms energy: -80.017829
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -21.656
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -17.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -120.339079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.339079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.339079 (E_RNA)
where:
Base-Base interactions energy: -43.152
where: short stacking energy: -39.402
Base-Backbone interact. energy: -0.324
local terms energy: -76.863787
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -23.900
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -7.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -130.912458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.912458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.912458 (E_RNA)
where:
Base-Base interactions energy: -58.979
where: short stacking energy: -56.149
Base-Backbone interact. energy: -0.248
local terms energy: -71.685323
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -20.200
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -8.337
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: 1
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -106.551668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.551668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.551668 (E_RNA)
where:
Base-Base interactions energy: -40.063
where: short stacking energy: -40.063
Base-Backbone interact. energy: -0.167
local terms energy: -66.321372
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -21.719
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -5.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -99.371130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.371130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.371130 (E_RNA)
where:
Base-Base interactions energy: -59.306
where: short stacking energy: -40.278
Base-Backbone interact. energy: -0.365
local terms energy: -39.699553
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: 1.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -330.713086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.713086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.713086 (E_RNA)
where:
Base-Base interactions energy: -235.648
where: short stacking energy: -89.195
Base-Backbone interact. energy: -0.203
local terms energy: -94.862880
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -20.588
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -23.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -323.377174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.377174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.377174 (E_RNA)
where:
Base-Base interactions energy: -222.723
where: short stacking energy: -93.607
Base-Backbone interact. energy: -0.865
local terms energy: -99.789392
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -21.493
flat angles P-C4'-P energy: -16.547
tors. eta vs tors. theta energy: -23.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -311.703581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.703581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.703581 (E_RNA)
where:
Base-Base interactions energy: -217.836
where: short stacking energy: -85.801
Base-Backbone interact. energy: -0.343
local terms energy: -93.524069
where:
bonds (distance) C4'-P energy: -23.114
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -5.251
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: 4, replica: 2
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -312.182797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.182797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.182797 (E_RNA)
where:
Base-Base interactions energy: -208.529
where: short stacking energy: -91.060
Base-Backbone interact. energy: -0.078
local terms energy: -103.575992
where:
bonds (distance) C4'-P energy: -22.882
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -24.536
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -25.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -215.581579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.581579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.581579 (E_RNA)
where:
Base-Base interactions energy: -123.863
where: short stacking energy: -62.405
Base-Backbone interact. energy: -0.254
local terms energy: -91.464347
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -22.647
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -20.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -224.416096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.416096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.416096 (E_RNA)
where:
Base-Base interactions energy: -133.257
where: short stacking energy: -70.585
Base-Backbone interact. energy: -0.168
local terms energy: -90.990787
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -20.536
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -20.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -132.984260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.984260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.984260 (E_RNA)
where:
Base-Base interactions energy: -57.279
where: short stacking energy: -31.337
Base-Backbone interact. energy: -0.108
local terms energy: -75.596328
where:
bonds (distance) C4'-P energy: -19.367
bonds (distance) P-C4' energy: -19.648
flat angles C4'-P-C4' energy: -19.654
flat angles P-C4'-P energy: -13.239
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: 8, replica: 1
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -162.132936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.132936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.132936 (E_RNA)
where:
Base-Base interactions energy: -102.629
where: short stacking energy: -50.372
Base-Backbone interact. energy: -0.633
local terms energy: -58.870234
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -22.639
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -5.202
tors. eta vs tors. theta energy: -5.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -99.065795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.065795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.065795 (E_RNA)
where:
Base-Base interactions energy: -37.854
where: short stacking energy: -34.137
Base-Backbone interact. energy: -0.186
local terms energy: -61.025662
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: 2.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -118.036699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.036699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.036699 (E_RNA)
where:
Base-Base interactions energy: -67.655
where: short stacking energy: -33.596
Base-Backbone interact. energy: 0.980
local terms energy: -51.361871
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -6.071
tors. eta vs tors. theta energy: -0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -330.285601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.285601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.285601 (E_RNA)
where:
Base-Base interactions energy: -224.570
where: short stacking energy: -99.930
Base-Backbone interact. energy: -0.735
local terms energy: -104.979993
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -29.050
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: 2, replica: 7
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -317.403707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.403707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.403707 (E_RNA)
where:
Base-Base interactions energy: -220.308
where: short stacking energy: -94.319
Base-Backbone interact. energy: 0.222
local terms energy: -97.317229
where:
bonds (distance) C4'-P energy: -20.608
bonds (distance) P-C4' energy: -19.360
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -17.219
tors. eta vs tors. theta energy: -22.112
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: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -315.837520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.837520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.837520 (E_RNA)
where:
Base-Base interactions energy: -216.220
where: short stacking energy: -85.806
Base-Backbone interact. energy: -1.071
local terms energy: -98.546418
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -17.413
tors. eta vs tors. theta energy: -24.646
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: 10
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -295.674602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.674602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.674602 (E_RNA)
where:
Base-Base interactions energy: -212.474
where: short stacking energy: -76.507
Base-Backbone interact. energy: -0.171
local terms energy: -83.030060
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -22.503
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -19.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -251.160953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.160953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.160953 (E_RNA)
where:
Base-Base interactions energy: -162.984
where: short stacking energy: -77.074
Base-Backbone interact. energy: -0.097
local terms energy: -88.079994
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -20.368
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -11.889
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: 6, replica: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -181.052261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.052261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.052261 (E_RNA)
where:
Base-Base interactions energy: -95.870
where: short stacking energy: -56.712
Base-Backbone interact. energy: -0.107
local terms energy: -85.075684
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -22.543
flat angles C4'-P-C4' energy: -19.750
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -13.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -170.328802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.328802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.328802 (E_RNA)
where:
Base-Base interactions energy: -95.244
where: short stacking energy: -59.083
Base-Backbone interact. energy: -0.179
local terms energy: -74.905298
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -4.487
tors. eta vs tors. theta energy: -10.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -146.884097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.884097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.884097 (E_RNA)
where:
Base-Base interactions energy: -70.624
where: short stacking energy: -39.382
Base-Backbone interact. energy: 0.409
local terms energy: -76.669395
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -20.573
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -5.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -114.167053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.167053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.167053 (E_RNA)
where:
Base-Base interactions energy: -47.811
where: short stacking energy: -39.375
Base-Backbone interact. energy: 2.059
local terms energy: -68.415369
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -8.063
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: 10, replica: 4
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -94.401482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.401482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.401482 (E_RNA)
where:
Base-Base interactions energy: -28.689
where: short stacking energy: -28.689
Base-Backbone interact. energy: 0.108
local terms energy: -65.820050
where:
bonds (distance) C4'-P energy: -17.718
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -20.124
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -330.868064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.868064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.868064 (E_RNA)
where:
Base-Base interactions energy: -222.745
where: short stacking energy: -96.800
Base-Backbone interact. energy: -0.542
local terms energy: -107.580384
where:
bonds (distance) C4'-P energy: -19.753
bonds (distance) P-C4' energy: -22.193
flat angles C4'-P-C4' energy: -23.741
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -28.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -320.662942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.662942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.662942 (E_RNA)
where:
Base-Base interactions energy: -221.237
where: short stacking energy: -97.253
Base-Backbone interact. energy: -0.114
local terms energy: -99.311431
where:
bonds (distance) C4'-P energy: -20.345
bonds (distance) P-C4' energy: -19.958
flat angles C4'-P-C4' energy: -20.544
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -25.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -313.177540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.177540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.177540 (E_RNA)
where:
Base-Base interactions energy: -212.728
where: short stacking energy: -88.016
Base-Backbone interact. energy: 0.337
local terms energy: -100.786295
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -22.314
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -14.427
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: 4, replica: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -298.133669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.133669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.133669 (E_RNA)
where:
Base-Base interactions energy: -211.002
where: short stacking energy: -74.079
Base-Backbone interact. energy: -0.879
local terms energy: -86.252480
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -18.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -244.075665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.075665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.075665 (E_RNA)
where:
Base-Base interactions energy: -159.905
where: short stacking energy: -70.946
Base-Backbone interact. energy: -0.981
local terms energy: -83.189405
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -19.177
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -16.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -210.095820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.095820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.095820 (E_RNA)
where:
Base-Base interactions energy: -122.475
where: short stacking energy: -71.617
Base-Backbone interact. energy: 0.166
local terms energy: -87.786843
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -22.895
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -18.136
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: 1
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -150.151055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.151055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.151055 (E_RNA)
where:
Base-Base interactions energy: -91.114
where: short stacking energy: -54.287
Base-Backbone interact. energy: 1.216
local terms energy: -60.252717
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -20.554
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -8.287
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: 173
Temperature: 1.250000
Total energy: -112.620753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.620753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.620753 (E_RNA)
where:
Base-Base interactions energy: -40.239
where: short stacking energy: -30.928
Base-Backbone interact. energy: -0.316
local terms energy: -72.065993
where:
bonds (distance) C4'-P energy: -23.097
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -10.514
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: 5
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -163.500645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.500645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.500645 (E_RNA)
where:
Base-Base interactions energy: -90.020
where: short stacking energy: -41.602
Base-Backbone interact. energy: -0.112
local terms energy: -73.368306
where:
bonds (distance) C4'-P energy: -19.541
bonds (distance) P-C4' energy: -22.723
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -3.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -95.533287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.533287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.533287 (E_RNA)
where:
Base-Base interactions energy: -43.476
where: short stacking energy: -35.468
Base-Backbone interact. energy: -0.144
local terms energy: -51.913514
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -16.922
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: 3.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -320.619791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.619791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.619791 (E_RNA)
where:
Base-Base interactions energy: -220.072
where: short stacking energy: -95.626
Base-Backbone interact. energy: -0.315
local terms energy: -100.232792
where:
bonds (distance) C4'-P energy: -21.303
bonds (distance) P-C4' energy: -20.292
flat angles C4'-P-C4' energy: -19.357
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -27.610
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: 174
Temperature: 0.950000
Total energy: -319.212890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.212890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.212890 (E_RNA)
where:
Base-Base interactions energy: -215.883
where: short stacking energy: -102.333
Base-Backbone interact. energy: -0.168
local terms energy: -103.161793
where:
bonds (distance) C4'-P energy: -17.951
bonds (distance) P-C4' energy: -20.787
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -15.047
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: 3, replica: 7
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -321.752810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.752810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.752810 (E_RNA)
where:
Base-Base interactions energy: -222.782
where: short stacking energy: -103.193
Base-Backbone interact. energy: -0.166
local terms energy: -98.805365
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -17.683
flat angles C4'-P-C4' energy: -22.901
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -30.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -293.503517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.503517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.503517 (E_RNA)
where:
Base-Base interactions energy: -214.986
where: short stacking energy: -81.510
Base-Backbone interact. energy: -0.624
local terms energy: -77.893510
where:
bonds (distance) C4'-P energy: -18.683
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -4.557
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: 6
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -248.252395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.252395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.252395 (E_RNA)
where:
Base-Base interactions energy: -169.365
where: short stacking energy: -76.032
Base-Backbone interact. energy: 1.208
local terms energy: -80.095513
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -3.502
tors. eta vs tors. theta energy: -21.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -177.155925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.155925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.155925 (E_RNA)
where:
Base-Base interactions energy: -98.860
where: short stacking energy: -50.877
Base-Backbone interact. energy: -0.126
local terms energy: -78.169789
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -17.317
tors. eta vs tors. theta energy: -11.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -132.054709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.054709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.054709 (E_RNA)
where:
Base-Base interactions energy: -56.227
where: short stacking energy: -44.016
Base-Backbone interact. energy: 0.078
local terms energy: -75.905608
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -20.125
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -4.543
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: 1
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -137.139575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.139575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.139575 (E_RNA)
where:
Base-Base interactions energy: -70.411
where: short stacking energy: -49.749
Base-Backbone interact. energy: -0.179
local terms energy: -66.549585
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -7.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -117.343091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.343091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.343091 (E_RNA)
where:
Base-Base interactions energy: -49.068
where: short stacking energy: -44.653
Base-Backbone interact. energy: -0.480
local terms energy: -67.795733
where:
bonds (distance) C4'-P energy: -21.117
bonds (distance) P-C4' energy: -17.303
flat angles C4'-P-C4' energy: -10.833
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -7.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -131.731905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.731905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.731905 (E_RNA)
where:
Base-Base interactions energy: -77.268
where: short stacking energy: -33.012
Base-Backbone interact. energy: -1.635
local terms energy: -52.829589
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -336.568356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.568356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.568356 (E_RNA)
where:
Base-Base interactions energy: -231.714
where: short stacking energy: -103.800
Base-Backbone interact. energy: -0.090
local terms energy: -104.764695
where:
bonds (distance) C4'-P energy: -19.483
bonds (distance) P-C4' energy: -21.492
flat angles C4'-P-C4' energy: -21.941
flat angles P-C4'-P energy: -14.854
tors. eta vs tors. theta energy: -26.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -313.467406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.467406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.467406 (E_RNA)
where:
Base-Base interactions energy: -215.370
where: short stacking energy: -81.913
Base-Backbone interact. energy: -0.230
local terms energy: -97.867282
where:
bonds (distance) C4'-P energy: -21.181
bonds (distance) P-C4' energy: -17.379
flat angles C4'-P-C4' energy: -23.012
flat angles P-C4'-P energy: -16.768
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: 3, replica: 9
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -320.039727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.039727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.039727 (E_RNA)
where:
Base-Base interactions energy: -221.458
where: short stacking energy: -86.177
Base-Backbone interact. energy: -0.130
local terms energy: -98.451480
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -23.839
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -21.299
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: 10
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -282.034021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.034021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.034021 (E_RNA)
where:
Base-Base interactions energy: -200.642
where: short stacking energy: -66.212
Base-Backbone interact. energy: -0.649
local terms energy: -80.743412
where:
bonds (distance) C4'-P energy: -19.427
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -20.448
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -12.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -267.113013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.113013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.113013 (E_RNA)
where:
Base-Base interactions energy: -180.014
where: short stacking energy: -79.100
Base-Backbone interact. energy: -1.114
local terms energy: -85.985105
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -19.301
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -18.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -183.932364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.932364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.932364 (E_RNA)
where:
Base-Base interactions energy: -108.915
where: short stacking energy: -66.054
Base-Backbone interact. energy: -0.672
local terms energy: -74.345048
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -10.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -114.861323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.861323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.861323 (E_RNA)
where:
Base-Base interactions energy: -46.807
where: short stacking energy: -46.807
Base-Backbone interact. energy: -0.084
local terms energy: -67.970539
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -4.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -116.825095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.825095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.825095 (E_RNA)
where:
Base-Base interactions energy: -40.845
where: short stacking energy: -36.818
Base-Backbone interact. energy: -0.625
local terms energy: -75.355124
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -7.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -102.195283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.195283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.195283 (E_RNA)
where:
Base-Base interactions energy: -42.547
where: short stacking energy: -37.392
Base-Backbone interact. energy: -0.334
local terms energy: -59.314312
where:
bonds (distance) C4'-P energy: -18.597
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -3.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -107.903386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.903386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.903386 (E_RNA)
where:
Base-Base interactions energy: -50.638
where: short stacking energy: -40.149
Base-Backbone interact. energy: -0.188
local terms energy: -57.076793
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -6.055
tors. eta vs tors. theta energy: -5.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -334.254309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.254309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.254309 (E_RNA)
where:
Base-Base interactions energy: -227.041
where: short stacking energy: -98.726
Base-Backbone interact. energy: -0.811
local terms energy: -106.402053
where:
bonds (distance) C4'-P energy: -22.567
bonds (distance) P-C4' energy: -20.166
flat angles C4'-P-C4' energy: -22.822
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -26.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -333.718484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.718484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.718484 (E_RNA)
where:
Base-Base interactions energy: -233.081
where: short stacking energy: -102.752
Base-Backbone interact. energy: -0.111
local terms energy: -100.526587
where:
bonds (distance) C4'-P energy: -19.238
bonds (distance) P-C4' energy: -20.475
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -24.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -323.893353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.893353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.893353 (E_RNA)
where:
Base-Base interactions energy: -226.779
where: short stacking energy: -94.027
Base-Backbone interact. energy: -0.192
local terms energy: -96.922282
where:
bonds (distance) C4'-P energy: -22.040
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -21.662
flat angles P-C4'-P energy: -9.741
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: 4, replica: 10
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -278.502057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.502057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.502057 (E_RNA)
where:
Base-Base interactions energy: -193.015
where: short stacking energy: -86.146
Base-Backbone interact. energy: -0.699
local terms energy: -84.788556
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -19.664
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -18.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -254.705122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.705122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.705122 (E_RNA)
where:
Base-Base interactions energy: -171.239
where: short stacking energy: -80.771
Base-Backbone interact. energy: 0.307
local terms energy: -83.773021
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -19.155
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -20.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -184.265225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.265225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.265225 (E_RNA)
where:
Base-Base interactions energy: -98.089
where: short stacking energy: -52.134
Base-Backbone interact. energy: -0.138
local terms energy: -86.037465
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -17.617
tors. eta vs tors. theta energy: -12.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -130.653575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.653575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.653575 (E_RNA)
where:
Base-Base interactions energy: -51.585
where: short stacking energy: -45.073
Base-Backbone interact. energy: -0.889
local terms energy: -78.179956
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -20.835
flat angles P-C4'-P energy: -13.753
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: 8, replica: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -112.720914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.720914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.720914 (E_RNA)
where:
Base-Base interactions energy: -33.977
where: short stacking energy: -33.156
Base-Backbone interact. energy: -0.408
local terms energy: -78.335449
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -19.868
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -8.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -105.856203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.856203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.856203 (E_RNA)
where:
Base-Base interactions energy: -31.872
where: short stacking energy: -31.790
Base-Backbone interact. energy: -0.403
local terms energy: -73.581380
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -21.612
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -2.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -104.395874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.395874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.395874 (E_RNA)
where:
Base-Base interactions energy: -41.269
where: short stacking energy: -38.246
Base-Backbone interact. energy: 1.743
local terms energy: -64.869623
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -2.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -331.336712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.336712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.336712 (E_RNA)
where:
Base-Base interactions energy: -225.815
where: short stacking energy: -102.896
Base-Backbone interact. energy: 0.369
local terms energy: -105.890423
where:
bonds (distance) C4'-P energy: -22.430
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -19.884
flat angles P-C4'-P energy: -19.138
tors. eta vs tors. theta energy: -26.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -325.306133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.306133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.306133 (E_RNA)
where:
Base-Base interactions energy: -224.742
where: short stacking energy: -97.470
Base-Backbone interact. energy: -0.638
local terms energy: -99.925810
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -20.042
flat angles P-C4'-P energy: -18.619
tors. eta vs tors. theta energy: -27.624
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: 3, replica: 7
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -326.431609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.431609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.431609 (E_RNA)
where:
Base-Base interactions energy: -222.284
where: short stacking energy: -98.404
Base-Backbone interact. energy: -0.873
local terms energy: -103.274258
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -19.993
flat angles C4'-P-C4' energy: -22.130
flat angles P-C4'-P energy: -15.089
tors. eta vs tors. theta energy: -29.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -275.595566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.595566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.595566 (E_RNA)
where:
Base-Base interactions energy: -193.769
where: short stacking energy: -60.441
Base-Backbone interact. energy: 2.034
local terms energy: -83.860556
where:
bonds (distance) C4'-P energy: -18.972
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -15.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -283.066971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.066971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.066971 (E_RNA)
where:
Base-Base interactions energy: -192.473
where: short stacking energy: -78.836
Base-Backbone interact. energy: -0.200
local terms energy: -90.393658
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -19.540
flat angles C4'-P-C4' energy: -21.348
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -18.264
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: 3
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -177.211101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.211101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.211101 (E_RNA)
where:
Base-Base interactions energy: -102.292
where: short stacking energy: -57.708
Base-Backbone interact. energy: -0.023
local terms energy: -74.895468
where:
bonds (distance) C4'-P energy: -21.205
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -11.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -121.776454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.776454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.776454 (E_RNA)
where:
Base-Base interactions energy: -63.878
where: short stacking energy: -37.775
Base-Backbone interact. energy: -0.128
local terms energy: -57.770173
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -123.084612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.084612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.084612 (E_RNA)
where:
Base-Base interactions energy: -53.739
where: short stacking energy: -34.150
Base-Backbone interact. energy: 1.403
local terms energy: -70.749104
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -3.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -96.082781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.082781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.082781 (E_RNA)
where:
Base-Base interactions energy: -39.500
where: short stacking energy: -25.636
Base-Backbone interact. energy: 0.854
local terms energy: -57.436687
where:
bonds (distance) C4'-P energy: -21.914
bonds (distance) P-C4' energy: -11.065
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -8.583
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: 1
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -105.977463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.977463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.977463 (E_RNA)
where:
Base-Base interactions energy: -47.649
where: short stacking energy: -44.679
Base-Backbone interact. energy: 1.108
local terms energy: -59.436361
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -329.055018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.055018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.055018 (E_RNA)
where:
Base-Base interactions energy: -225.161
where: short stacking energy: -94.362
Base-Backbone interact. energy: 0.863
local terms energy: -104.757666
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -21.081
flat angles P-C4'-P energy: -14.925
tors. eta vs tors. theta energy: -28.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -318.254740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.254740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.254740 (E_RNA)
where:
Base-Base interactions energy: -217.859
where: short stacking energy: -95.123
Base-Backbone interact. energy: -0.252
local terms energy: -100.144314
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -21.119
flat angles C4'-P-C4' energy: -21.055
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -26.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -325.025023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.025023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.025023 (E_RNA)
where:
Base-Base interactions energy: -220.755
where: short stacking energy: -92.496
Base-Backbone interact. energy: -0.370
local terms energy: -103.900249
where:
bonds (distance) C4'-P energy: -22.920
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -28.196
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: 10
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -280.730171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.730171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.730171 (E_RNA)
where:
Base-Base interactions energy: -189.556
where: short stacking energy: -78.735
Base-Backbone interact. energy: -0.185
local terms energy: -90.988485
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -20.897
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -23.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -277.519715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.519715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.519715 (E_RNA)
where:
Base-Base interactions energy: -189.766
where: short stacking energy: -85.352
Base-Backbone interact. energy: -0.239
local terms energy: -87.514930
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -21.804
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -21.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -191.281424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.281424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.281424 (E_RNA)
where:
Base-Base interactions energy: -102.030
where: short stacking energy: -64.473
Base-Backbone interact. energy: -0.012
local terms energy: -89.240221
where:
bonds (distance) C4'-P energy: -18.713
bonds (distance) P-C4' energy: -19.338
flat angles C4'-P-C4' energy: -20.870
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -17.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -129.559388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.559388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.559388 (E_RNA)
where:
Base-Base interactions energy: -57.383
where: short stacking energy: -48.246
Base-Backbone interact. energy: -0.152
local terms energy: -72.024945
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -11.340
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: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -128.151791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.151791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.151791 (E_RNA)
where:
Base-Base interactions energy: -76.592
where: short stacking energy: -35.168
Base-Backbone interact. energy: 0.657
local terms energy: -52.216889
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -7.684
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -98.173159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.173159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.173159 (E_RNA)
where:
Base-Base interactions energy: -39.703
where: short stacking energy: -38.094
Base-Backbone interact. energy: -1.390
local terms energy: -57.080322
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -5.099
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: 10, replica: 4
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -142.717422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.717422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.717422 (E_RNA)
where:
Base-Base interactions energy: -77.211
where: short stacking energy: -42.094
Base-Backbone interact. energy: -0.257
local terms energy: -65.249963
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -10.321
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -4.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -329.907553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.907553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.907553 (E_RNA)
where:
Base-Base interactions energy: -223.959
where: short stacking energy: -97.727
Base-Backbone interact. energy: -0.425
local terms energy: -105.523258
where:
bonds (distance) C4'-P energy: -21.312
bonds (distance) P-C4' energy: -18.944
flat angles C4'-P-C4' energy: -23.022
flat angles P-C4'-P energy: -16.869
tors. eta vs tors. theta energy: -25.376
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: 7
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -331.627843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.627843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.627843 (E_RNA)
where:
Base-Base interactions energy: -222.448
where: short stacking energy: -83.392
Base-Backbone interact. energy: -0.603
local terms energy: -108.576938
where:
bonds (distance) C4'-P energy: -21.027
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -15.009
tors. eta vs tors. theta energy: -25.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -321.354303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.354303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.354303 (E_RNA)
where:
Base-Base interactions energy: -215.927
where: short stacking energy: -93.513
Base-Backbone interact. energy: -0.793
local terms energy: -104.634294
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -19.582
flat angles P-C4'-P energy: -17.296
tors. eta vs tors. theta energy: -28.747
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: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -289.157041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.157041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.157041 (E_RNA)
where:
Base-Base interactions energy: -192.494
where: short stacking energy: -86.690
Base-Backbone interact. energy: -0.044
local terms energy: -96.618879
where:
bonds (distance) C4'-P energy: -20.979
bonds (distance) P-C4' energy: -19.391
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -14.699
tors. eta vs tors. theta energy: -21.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -278.371535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.371535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.371535 (E_RNA)
where:
Base-Base interactions energy: -188.484
where: short stacking energy: -84.709
Base-Backbone interact. energy: -0.300
local terms energy: -89.588116
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -23.040
flat angles C4'-P-C4' energy: -19.563
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -20.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -179.836292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.836292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.836292 (E_RNA)
where:
Base-Base interactions energy: -102.560
where: short stacking energy: -60.579
Base-Backbone interact. energy: -0.278
local terms energy: -76.997938
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: -10.379
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: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -113.437092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.437092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.437092 (E_RNA)
where:
Base-Base interactions energy: -41.127
where: short stacking energy: -39.842
Base-Backbone interact. energy: -0.354
local terms energy: -71.956374
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -18.999
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -1.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -139.630992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.630992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.630992 (E_RNA)
where:
Base-Base interactions energy: -68.797
where: short stacking energy: -36.552
Base-Backbone interact. energy: 0.809
local terms energy: -71.642498
where:
bonds (distance) C4'-P energy: -21.826
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -15.586
tors. eta vs tors. theta energy: -0.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -148.539061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.539061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.539061 (E_RNA)
where:
Base-Base interactions energy: -89.278
where: short stacking energy: -47.210
Base-Backbone interact. energy: 0.210
local terms energy: -59.471339
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -6.000
tors. eta vs tors. theta energy: -12.306
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: 4
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -115.356478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.356478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.356478 (E_RNA)
where:
Base-Base interactions energy: -59.722
where: short stacking energy: -30.426
Base-Backbone interact. energy: -0.360
local terms energy: -55.274501
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -18.417
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -6.894
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: 7
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -332.025587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.025587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.025587 (E_RNA)
where:
Base-Base interactions energy: -222.873
where: short stacking energy: -99.543
Base-Backbone interact. energy: -0.574
local terms energy: -108.578178
where:
bonds (distance) C4'-P energy: -20.721
bonds (distance) P-C4' energy: -22.678
flat angles C4'-P-C4' energy: -22.932
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -31.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -325.022415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.022415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.022415 (E_RNA)
where:
Base-Base interactions energy: -234.747
where: short stacking energy: -99.367
Base-Backbone interact. energy: -0.090
local terms energy: -90.185541
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -24.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -318.911215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.911215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.911215 (E_RNA)
where:
Base-Base interactions energy: -220.661
where: short stacking energy: -97.910
Base-Backbone interact. energy: -0.034
local terms energy: -98.216889
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -20.452
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -29.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -290.972614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.972614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.972614 (E_RNA)
where:
Base-Base interactions energy: -187.708
where: short stacking energy: -81.476
Base-Backbone interact. energy: -0.795
local terms energy: -102.470151
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -22.634
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -17.163
tors. eta vs tors. theta energy: -22.528
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: 10
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -249.624127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.624127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.624127 (E_RNA)
where:
Base-Base interactions energy: -171.197
where: short stacking energy: -76.407
Base-Backbone interact. energy: 2.125
local terms energy: -80.552064
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -18.071
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -18.945
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: 180
Temperature: 1.150000
Total energy: -191.428751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.428751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.428751 (E_RNA)
where:
Base-Base interactions energy: -108.124
where: short stacking energy: -68.544
Base-Backbone interact. energy: 0.582
local terms energy: -83.887175
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -22.704
flat angles C4'-P-C4' energy: -20.748
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -14.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -138.261767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.261767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.261767 (E_RNA)
where:
Base-Base interactions energy: -75.376
where: short stacking energy: -31.864
Base-Backbone interact. energy: -0.221
local terms energy: -62.663786
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -9.915
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -2.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -106.816579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.816579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.816579 (E_RNA)
where:
Base-Base interactions energy: -39.001
where: short stacking energy: -33.669
Base-Backbone interact. energy: -0.350
local terms energy: -67.464735
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -19.689
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -7.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -170.779435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.779435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.779435 (E_RNA)
where:
Base-Base interactions energy: -91.505
where: short stacking energy: -45.577
Base-Backbone interact. energy: 0.275
local terms energy: -79.548527
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -20.562
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -13.056
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: 10, replica: 4
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -93.261199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.261199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.261199 (E_RNA)
where:
Base-Base interactions energy: -32.712
where: short stacking energy: -27.891
Base-Backbone interact. energy: -0.406
local terms energy: -60.143369
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -21.344
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -4.827
tors. eta vs tors. theta energy: -0.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -328.337000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.337000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.337000 (E_RNA)
where:
Base-Base interactions energy: -221.485
where: short stacking energy: -104.218
Base-Backbone interact. energy: -0.739
local terms energy: -106.112127
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -22.707
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -30.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -321.609328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.609328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.609328 (E_RNA)
where:
Base-Base interactions energy: -217.878
where: short stacking energy: -97.148
Base-Backbone interact. energy: -0.100
local terms energy: -103.630893
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -22.977
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -16.344
tors. eta vs tors. theta energy: -29.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -316.298396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.298396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.298396 (E_RNA)
where:
Base-Base interactions energy: -216.847
where: short stacking energy: -88.791
Base-Backbone interact. energy: -0.582
local terms energy: -98.869764
where:
bonds (distance) C4'-P energy: -19.720
bonds (distance) P-C4' energy: -17.835
flat angles C4'-P-C4' energy: -20.947
flat angles P-C4'-P energy: -14.665
tors. eta vs tors. theta energy: -25.703
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: 6
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -288.534099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.534099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.534099 (E_RNA)
where:
Base-Base interactions energy: -187.631
where: short stacking energy: -75.423
Base-Backbone interact. energy: 0.139
local terms energy: -101.042318
where:
bonds (distance) C4'-P energy: -19.504
bonds (distance) P-C4' energy: -23.086
flat angles C4'-P-C4' energy: -24.223
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -21.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -258.251681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.251681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.251681 (E_RNA)
where:
Base-Base interactions energy: -180.095
where: short stacking energy: -70.588
Base-Backbone interact. energy: -1.008
local terms energy: -77.148411
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -19.383
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -15.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -189.012530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.012530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.012530 (E_RNA)
where:
Base-Base interactions energy: -110.005
where: short stacking energy: -59.400
Base-Backbone interact. energy: 1.052
local terms energy: -80.059012
where:
bonds (distance) C4'-P energy: -20.635
bonds (distance) P-C4' energy: -21.109
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -10.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -122.790649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.790649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.790649 (E_RNA)
where:
Base-Base interactions energy: -47.248
where: short stacking energy: -44.378
Base-Backbone interact. energy: 0.422
local terms energy: -75.964636
where:
bonds (distance) C4'-P energy: -21.909
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -3.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -111.399473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.399473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.399473 (E_RNA)
where:
Base-Base interactions energy: -52.405
where: short stacking energy: -32.954
Base-Backbone interact. energy: 0.670
local terms energy: -59.664639
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -9.124
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: 9, replica: 5
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -103.632653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.632653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.632653 (E_RNA)
where:
Base-Base interactions energy: -47.943
where: short stacking energy: -39.420
Base-Backbone interact. energy: -0.256
local terms energy: -55.432914
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -10.028
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -98.204689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.204689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.204689 (E_RNA)
where:
Base-Base interactions energy: -34.257
where: short stacking energy: -31.907
Base-Backbone interact. energy: 1.719
local terms energy: -65.666279
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -20.609
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -323.605914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.605914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.605914 (E_RNA)
where:
Base-Base interactions energy: -219.855
where: short stacking energy: -89.066
Base-Backbone interact. energy: -0.190
local terms energy: -103.561065
where:
bonds (distance) C4'-P energy: -22.622
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -20.458
flat angles P-C4'-P energy: -12.699
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: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -330.467150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.467150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.467150 (E_RNA)
where:
Base-Base interactions energy: -219.397
where: short stacking energy: -94.740
Base-Backbone interact. energy: -0.849
local terms energy: -110.220833
where:
bonds (distance) C4'-P energy: -24.806
bonds (distance) P-C4' energy: -19.730
flat angles C4'-P-C4' energy: -20.543
flat angles P-C4'-P energy: -17.114
tors. eta vs tors. theta energy: -28.029
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: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -316.938561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.938561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.938561 (E_RNA)
where:
Base-Base interactions energy: -216.657
where: short stacking energy: -93.817
Base-Backbone interact. energy: 0.181
local terms energy: -100.462425
where:
bonds (distance) C4'-P energy: -18.733
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -21.476
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -26.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -287.816385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.816385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.816385 (E_RNA)
where:
Base-Base interactions energy: -198.201
where: short stacking energy: -80.617
Base-Backbone interact. energy: -0.787
local terms energy: -88.828038
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -21.211
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -20.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -264.452580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.452580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.452580 (E_RNA)
where:
Base-Base interactions energy: -182.081
where: short stacking energy: -77.798
Base-Backbone interact. energy: -0.264
local terms energy: -82.107068
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -18.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -177.920244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.920244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.920244 (E_RNA)
where:
Base-Base interactions energy: -103.030
where: short stacking energy: -52.093
Base-Backbone interact. energy: -0.030
local terms energy: -74.860604
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -11.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -128.311624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.311624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.311624 (E_RNA)
where:
Base-Base interactions energy: -56.896
where: short stacking energy: -43.067
Base-Backbone interact. energy: -0.979
local terms energy: -70.436409
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -19.826
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -7.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -112.930225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.930225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.930225 (E_RNA)
where:
Base-Base interactions energy: -41.972
where: short stacking energy: -37.428
Base-Backbone interact. energy: -0.030
local terms energy: -70.927997
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -117.972912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.972912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.972912 (E_RNA)
where:
Base-Base interactions energy: -54.695
where: short stacking energy: -54.695
Base-Backbone interact. energy: -0.301
local terms energy: -62.977016
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -11.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -117.232537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.232537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.232537 (E_RNA)
where:
Base-Base interactions energy: -61.590
where: short stacking energy: -37.118
Base-Backbone interact. energy: -1.366
local terms energy: -54.275861
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -8.979
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -2.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -328.310141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.310141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.310141 (E_RNA)
where:
Base-Base interactions energy: -224.749
where: short stacking energy: -97.085
Base-Backbone interact. energy: -0.193
local terms energy: -103.368628
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -23.347
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -27.164
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: 183
Temperature: 0.950000
Total energy: -334.482207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.482207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.482207 (E_RNA)
where:
Base-Base interactions energy: -229.392
where: short stacking energy: -93.093
Base-Backbone interact. energy: -0.196
local terms energy: -104.894710
where:
bonds (distance) C4'-P energy: -21.276
bonds (distance) P-C4' energy: -23.358
flat angles C4'-P-C4' energy: -19.475
flat angles P-C4'-P energy: -16.917
tors. eta vs tors. theta energy: -23.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -325.131624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.131624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.131624 (E_RNA)
where:
Base-Base interactions energy: -217.297
where: short stacking energy: -96.605
Base-Backbone interact. energy: -0.320
local terms energy: -107.515159
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -21.213
flat angles C4'-P-C4' energy: -21.575
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -30.390
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: 4, replica: 10
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -284.287919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.287919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.287919 (E_RNA)
where:
Base-Base interactions energy: -193.351
where: short stacking energy: -88.493
Base-Backbone interact. energy: -1.254
local terms energy: -89.682525
where:
bonds (distance) C4'-P energy: -20.157
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -23.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -288.465042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.465042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.465042 (E_RNA)
where:
Base-Base interactions energy: -192.161
where: short stacking energy: -84.365
Base-Backbone interact. energy: -0.011
local terms energy: -96.293050
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -22.290
flat angles P-C4'-P energy: -15.198
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: 6, replica: 3
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -243.594138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.594138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.594138 (E_RNA)
where:
Base-Base interactions energy: -146.106
where: short stacking energy: -61.545
Base-Backbone interact. energy: -1.819
local terms energy: -95.669129
where:
bonds (distance) C4'-P energy: -21.438
bonds (distance) P-C4' energy: -22.414
flat angles C4'-P-C4' energy: -20.455
flat angles P-C4'-P energy: -15.115
tors. eta vs tors. theta energy: -16.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -155.852020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.852020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.852020 (E_RNA)
where:
Base-Base interactions energy: -68.200
where: short stacking energy: -57.186
Base-Backbone interact. energy: -1.769
local terms energy: -85.882600
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -20.743
flat angles P-C4'-P energy: -14.576
tors. eta vs tors. theta energy: -17.166
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: 183
Temperature: 1.250000
Total energy: -111.987058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.987058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.987058 (E_RNA)
where:
Base-Base interactions energy: -52.098
where: short stacking energy: -36.720
Base-Backbone interact. energy: -0.480
local terms energy: -59.408576
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -4.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -103.912685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.912685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.912685 (E_RNA)
where:
Base-Base interactions energy: -48.162
where: short stacking energy: -37.018
Base-Backbone interact. energy: -1.180
local terms energy: -54.571283
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -23.276
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -2.726
tors. eta vs tors. theta energy: -0.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -95.496466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.496466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.496466 (E_RNA)
where:
Base-Base interactions energy: -34.920
where: short stacking energy: -28.003
Base-Backbone interact. energy: -0.668
local terms energy: -59.909020
where:
bonds (distance) C4'-P energy: -4.004
bonds (distance) P-C4' energy: -20.387
flat angles C4'-P-C4' energy: -19.739
flat angles P-C4'-P energy: -14.704
tors. eta vs tors. theta energy: -1.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -332.978897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.978897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.978897 (E_RNA)
where:
Base-Base interactions energy: -225.234
where: short stacking energy: -102.358
Base-Backbone interact. energy: -0.490
local terms energy: -107.254807
where:
bonds (distance) C4'-P energy: -20.961
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -25.153
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -28.688
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: 184
Temperature: 0.950000
Total energy: -331.683033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.683033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.683033 (E_RNA)
where:
Base-Base interactions energy: -228.501
where: short stacking energy: -97.475
Base-Backbone interact. energy: -0.296
local terms energy: -102.886160
where:
bonds (distance) C4'-P energy: -22.663
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -23.881
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -23.575
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: 2
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -320.339141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.339141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.339141 (E_RNA)
where:
Base-Base interactions energy: -215.111
where: short stacking energy: -95.516
Base-Backbone interact. energy: -0.821
local terms energy: -104.407552
where:
bonds (distance) C4'-P energy: -23.837
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -18.326
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: -27.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -275.432272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.432272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.432272 (E_RNA)
where:
Base-Base interactions energy: -179.581
where: short stacking energy: -92.431
Base-Backbone interact. energy: -0.829
local terms energy: -95.022335
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -18.120
flat angles P-C4'-P energy: -17.040
tors. eta vs tors. theta energy: -24.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -290.907793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.907793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.907793 (E_RNA)
where:
Base-Base interactions energy: -198.339
where: short stacking energy: -85.292
Base-Backbone interact. energy: -0.143
local terms energy: -92.425733
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -23.634
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -24.365
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: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -214.974018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.974018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.974018 (E_RNA)
where:
Base-Base interactions energy: -139.968
where: short stacking energy: -59.905
Base-Backbone interact. energy: -1.278
local terms energy: -73.727704
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -19.750
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -14.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -145.161459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.161459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.161459 (E_RNA)
where:
Base-Base interactions energy: -74.046
where: short stacking energy: -42.614
Base-Backbone interact. energy: -0.158
local terms energy: -70.957896
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -22.423
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -6.193
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: 1
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -119.070426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.070426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.070426 (E_RNA)
where:
Base-Base interactions energy: -49.924
where: short stacking energy: -27.727
Base-Backbone interact. energy: 1.471
local terms energy: -70.617414
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -19.258
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -10.896
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: 9, replica: 5
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -105.999553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.999553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.999553 (E_RNA)
where:
Base-Base interactions energy: -47.882
where: short stacking energy: -33.458
Base-Backbone interact. energy: 0.181
local terms energy: -58.298329
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -6.412
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: 4
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -95.935031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.935031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.935031 (E_RNA)
where:
Base-Base interactions energy: -42.352
where: short stacking energy: -39.213
Base-Backbone interact. energy: -0.159
local terms energy: -53.424731
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -2.646
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -12.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -332.213234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.213234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.213234 (E_RNA)
where:
Base-Base interactions energy: -221.702
where: short stacking energy: -96.981
Base-Backbone interact. energy: -0.152
local terms energy: -110.359255
where:
bonds (distance) C4'-P energy: -21.520
bonds (distance) P-C4' energy: -21.974
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -31.147
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: 2, replica: 2
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -318.383175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.383175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.383175 (E_RNA)
where:
Base-Base interactions energy: -220.786
where: short stacking energy: -94.372
Base-Backbone interact. energy: -0.413
local terms energy: -97.183668
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -12.904
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: 9
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -314.123379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.123379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.123379 (E_RNA)
where:
Base-Base interactions energy: -214.739
where: short stacking energy: -94.589
Base-Backbone interact. energy: -0.951
local terms energy: -98.433103
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -19.995
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: -24.140
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: 6
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -298.350612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.350612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.350612 (E_RNA)
where:
Base-Base interactions energy: -203.842
where: short stacking energy: -92.136
Base-Backbone interact. energy: 0.134
local terms energy: -94.642430
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -20.494
flat angles C4'-P-C4' energy: -19.467
flat angles P-C4'-P energy: -16.838
tors. eta vs tors. theta energy: -25.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -262.450626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.450626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.450626 (E_RNA)
where:
Base-Base interactions energy: -186.936
where: short stacking energy: -82.782
Base-Backbone interact. energy: -0.009
local terms energy: -75.505524
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -21.181
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: 6, replica: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -130.792492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.792492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.792492 (E_RNA)
where:
Base-Base interactions energy: -57.797
where: short stacking energy: -42.957
Base-Backbone interact. energy: -0.368
local terms energy: -72.626945
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -3.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -171.167498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.167498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.167498 (E_RNA)
where:
Base-Base interactions energy: -96.249
where: short stacking energy: -59.916
Base-Backbone interact. energy: -0.183
local terms energy: -74.735059
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -3.358
tors. eta vs tors. theta energy: -13.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -112.849534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.849534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.849534 (E_RNA)
where:
Base-Base interactions energy: -48.120
where: short stacking energy: -32.576
Base-Backbone interact. energy: -0.468
local terms energy: -64.260770
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -15.078
tors. eta vs tors. theta energy: -0.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -123.086211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.086211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.086211 (E_RNA)
where:
Base-Base interactions energy: -69.748
where: short stacking energy: -31.669
Base-Backbone interact. energy: 0.885
local terms energy: -54.223262
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -20.686
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: 1.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -112.802303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.802303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.802303 (E_RNA)
where:
Base-Base interactions energy: -50.500
where: short stacking energy: -31.431
Base-Backbone interact. energy: -0.087
local terms energy: -62.215988
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -5.148
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: 7
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -329.624276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.624276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.624276 (E_RNA)
where:
Base-Base interactions energy: -220.936
where: short stacking energy: -99.617
Base-Backbone interact. energy: -0.784
local terms energy: -107.903597
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -17.755
flat angles C4'-P-C4' energy: -24.292
flat angles P-C4'-P energy: -16.344
tors. eta vs tors. theta energy: -28.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -317.198197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.198197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.198197 (E_RNA)
where:
Base-Base interactions energy: -210.568
where: short stacking energy: -92.257
Base-Backbone interact. energy: -0.205
local terms energy: -106.425194
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -23.126
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -29.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -311.255489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.255489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.255489 (E_RNA)
where:
Base-Base interactions energy: -215.891
where: short stacking energy: -80.767
Base-Backbone interact. energy: -0.104
local terms energy: -95.260092
where:
bonds (distance) C4'-P energy: -18.299
bonds (distance) P-C4' energy: -21.952
flat angles C4'-P-C4' energy: -18.617
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -21.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -291.696296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.696296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.696296 (E_RNA)
where:
Base-Base interactions energy: -188.032
where: short stacking energy: -82.774
Base-Backbone interact. energy: 0.080
local terms energy: -103.744831
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -20.292
flat angles P-C4'-P energy: -19.303
tors. eta vs tors. theta energy: -25.864
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: 10
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -279.579046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.579046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.579046 (E_RNA)
where:
Base-Base interactions energy: -188.354
where: short stacking energy: -78.983
Base-Backbone interact. energy: -0.284
local terms energy: -90.940821
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -20.407
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -25.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -160.800178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.800178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.800178 (E_RNA)
where:
Base-Base interactions energy: -82.903
where: short stacking energy: -53.109
Base-Backbone interact. energy: 0.086
local terms energy: -77.983399
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -13.993
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: 7, replica: 3
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -168.353187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.353187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.353187 (E_RNA)
where:
Base-Base interactions energy: -99.482
where: short stacking energy: -50.466
Base-Backbone interact. energy: 0.656
local terms energy: -69.526434
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -0.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -158.275273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.275273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.275273 (E_RNA)
where:
Base-Base interactions energy: -96.860
where: short stacking energy: -37.601
Base-Backbone interact. energy: 0.731
local terms energy: -62.145999
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -13.660
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: 9, replica: 4
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -104.238469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.238469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.238469 (E_RNA)
where:
Base-Base interactions energy: -38.714
where: short stacking energy: -31.425
Base-Backbone interact. energy: 0.985
local terms energy: -66.509048
where:
bonds (distance) C4'-P energy: -20.861
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -4.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -101.530161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.530161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.530161 (E_RNA)
where:
Base-Base interactions energy: -38.801
where: short stacking energy: -29.001
Base-Backbone interact. energy: 0.626
local terms energy: -63.355075
where:
bonds (distance) C4'-P energy: -22.218
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -9.739
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -7.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -336.904546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.904546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.904546 (E_RNA)
where:
Base-Base interactions energy: -239.414
where: short stacking energy: -106.051
Base-Backbone interact. energy: -0.101
local terms energy: -97.389662
where:
bonds (distance) C4'-P energy: -18.117
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -20.188
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -30.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -321.116976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.116976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.116976 (E_RNA)
where:
Base-Base interactions energy: -221.627
where: short stacking energy: -96.545
Base-Backbone interact. energy: -0.420
local terms energy: -99.070067
where:
bonds (distance) C4'-P energy: -19.635
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -21.243
flat angles P-C4'-P energy: -14.945
tors. eta vs tors. theta energy: -24.642
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: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -320.792835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.792835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.792835 (E_RNA)
where:
Base-Base interactions energy: -216.240
where: short stacking energy: -90.010
Base-Backbone interact. energy: -0.133
local terms energy: -104.419602
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -19.273
flat angles C4'-P-C4' energy: -24.478
flat angles P-C4'-P energy: -18.438
tors. eta vs tors. theta energy: -24.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -287.249645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.249645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.249645 (E_RNA)
where:
Base-Base interactions energy: -188.229
where: short stacking energy: -77.034
Base-Backbone interact. energy: -0.391
local terms energy: -98.629459
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -23.154
flat angles C4'-P-C4' energy: -23.281
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -23.130
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: 6
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -278.070429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.070429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.070429 (E_RNA)
where:
Base-Base interactions energy: -195.979
where: short stacking energy: -81.187
Base-Backbone interact. energy: -0.105
local terms energy: -81.985995
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -18.590
tors. eta vs tors. theta energy: -21.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -217.063853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.063853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.063853 (E_RNA)
where:
Base-Base interactions energy: -123.847
where: short stacking energy: -67.673
Base-Backbone interact. energy: -0.318
local terms energy: -92.898931
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -18.335
flat angles C4'-P-C4' energy: -21.432
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -22.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -121.711685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.711685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.711685 (E_RNA)
where:
Base-Base interactions energy: -51.320
where: short stacking energy: -33.489
Base-Backbone interact. energy: -0.913
local terms energy: -69.478502
where:
bonds (distance) C4'-P energy: -20.199
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -5.709
tors. eta vs tors. theta energy: -6.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -176.023624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.023624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.023624 (E_RNA)
where:
Base-Base interactions energy: -100.909
where: short stacking energy: -54.632
Base-Backbone interact. energy: -1.280
local terms energy: -73.835317
where:
bonds (distance) C4'-P energy: -23.301
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -11.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -102.160195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.160195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.160195 (E_RNA)
where:
Base-Base interactions energy: -40.588
where: short stacking energy: -37.350
Base-Backbone interact. energy: -0.295
local terms energy: -61.276926
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -12.085
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: 10, replica: 1
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -107.394903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.394903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.394903 (E_RNA)
where:
Base-Base interactions energy: -41.178
where: short stacking energy: -26.041
Base-Backbone interact. energy: -0.555
local terms energy: -65.662355
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -2.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -328.578306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.578306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.578306 (E_RNA)
where:
Base-Base interactions energy: -219.580
where: short stacking energy: -102.482
Base-Backbone interact. energy: -0.815
local terms energy: -108.183330
where:
bonds (distance) C4'-P energy: -19.053
bonds (distance) P-C4' energy: -22.895
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -17.776
tors. eta vs tors. theta energy: -27.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -324.304241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.304241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.304241 (E_RNA)
where:
Base-Base interactions energy: -217.643
where: short stacking energy: -98.699
Base-Backbone interact. energy: -0.295
local terms energy: -106.365816
where:
bonds (distance) C4'-P energy: -19.275
bonds (distance) P-C4' energy: -19.456
flat angles C4'-P-C4' energy: -24.332
flat angles P-C4'-P energy: -15.881
tors. eta vs tors. theta energy: -27.421
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: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -319.340818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.340818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.340818 (E_RNA)
where:
Base-Base interactions energy: -211.622
where: short stacking energy: -92.236
Base-Backbone interact. energy: -0.611
local terms energy: -107.107778
where:
bonds (distance) C4'-P energy: -21.259
bonds (distance) P-C4' energy: -23.792
flat angles C4'-P-C4' energy: -22.517
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -24.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -288.605072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.605072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.605072 (E_RNA)
where:
Base-Base interactions energy: -193.045
where: short stacking energy: -84.304
Base-Backbone interact. energy: -0.008
local terms energy: -95.551895
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -22.905
flat angles C4'-P-C4' energy: -19.249
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -24.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -269.879960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.879960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.879960 (E_RNA)
where:
Base-Base interactions energy: -187.861
where: short stacking energy: -68.216
Base-Backbone interact. energy: -0.878
local terms energy: -81.140811
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -18.478
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -19.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -211.430131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.430131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.430131 (E_RNA)
where:
Base-Base interactions energy: -128.195
where: short stacking energy: -71.702
Base-Backbone interact. energy: -0.221
local terms energy: -83.014331
where:
bonds (distance) C4'-P energy: -20.991
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -13.640
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: 7, replica: 5
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -180.438903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.438903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.438903 (E_RNA)
where:
Base-Base interactions energy: -105.411
where: short stacking energy: -46.428
Base-Backbone interact. energy: -0.844
local terms energy: -74.183556
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -22.566
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -4.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -128.820543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.820543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.820543 (E_RNA)
where:
Base-Base interactions energy: -61.290
where: short stacking energy: -43.986
Base-Backbone interact. energy: -0.787
local terms energy: -66.743538
where:
bonds (distance) C4'-P energy: -20.504
bonds (distance) P-C4' energy: -19.867
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: 2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -100.590466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.590466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.590466 (E_RNA)
where:
Base-Base interactions energy: -36.825
where: short stacking energy: -32.892
Base-Backbone interact. energy: 1.770
local terms energy: -65.536116
where:
bonds (distance) C4'-P energy: -22.469
bonds (distance) P-C4' energy: -17.913
flat angles C4'-P-C4' energy: -9.030
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -8.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -110.219115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.219115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.219115 (E_RNA)
where:
Base-Base interactions energy: -57.285
where: short stacking energy: -30.157
Base-Backbone interact. energy: -0.172
local terms energy: -52.761834
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -6.868
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: 1, replica: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -331.685919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.685919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.685919 (E_RNA)
where:
Base-Base interactions energy: -226.290
where: short stacking energy: -93.001
Base-Backbone interact. energy: -0.654
local terms energy: -104.742384
where:
bonds (distance) C4'-P energy: -19.488
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -22.707
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -27.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -325.278754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.278754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.278754 (E_RNA)
where:
Base-Base interactions energy: -225.852
where: short stacking energy: -96.341
Base-Backbone interact. energy: -0.161
local terms energy: -99.265481
where:
bonds (distance) C4'-P energy: -20.245
bonds (distance) P-C4' energy: -21.767
flat angles C4'-P-C4' energy: -21.124
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -22.595
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: 3, replica: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -323.624944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.624944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.624944 (E_RNA)
where:
Base-Base interactions energy: -222.494
where: short stacking energy: -100.054
Base-Backbone interact. energy: -0.118
local terms energy: -101.013658
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -23.547
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -29.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -295.283202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.283202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.283202 (E_RNA)
where:
Base-Base interactions energy: -192.683
where: short stacking energy: -77.598
Base-Backbone interact. energy: 0.172
local terms energy: -102.771886
where:
bonds (distance) C4'-P energy: -21.995
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -23.233
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: -23.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -270.774603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.774603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.774603 (E_RNA)
where:
Base-Base interactions energy: -179.282
where: short stacking energy: -84.714
Base-Backbone interact. energy: -0.694
local terms energy: -90.798792
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -18.695
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -25.063
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: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -189.652699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.652699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.652699 (E_RNA)
where:
Base-Base interactions energy: -119.814
where: short stacking energy: -63.022
Base-Backbone interact. energy: -0.049
local terms energy: -69.789633
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -11.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -178.059000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.059000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.059000 (E_RNA)
where:
Base-Base interactions energy: -116.974
where: short stacking energy: -52.645
Base-Backbone interact. energy: -0.369
local terms energy: -60.715430
where:
bonds (distance) C4'-P energy: -6.231
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -20.444
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -6.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -104.040752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.040752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.040752 (E_RNA)
where:
Base-Base interactions energy: -41.916
where: short stacking energy: -30.413
Base-Backbone interact. energy: -0.487
local terms energy: -61.637099
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -14.220
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: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -109.130555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.130555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.130555 (E_RNA)
where:
Base-Base interactions energy: -42.420
where: short stacking energy: -36.917
Base-Backbone interact. energy: -0.257
local terms energy: -66.453652
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -6.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -111.347599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.347599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.347599 (E_RNA)
where:
Base-Base interactions energy: -43.363
where: short stacking energy: -40.254
Base-Backbone interact. energy: -0.123
local terms energy: -67.862098
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -8.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -327.602259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.602259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.602259 (E_RNA)
where:
Base-Base interactions energy: -224.994
where: short stacking energy: -87.889
Base-Backbone interact. energy: -0.665
local terms energy: -101.942826
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -27.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -325.570376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.570376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.570376 (E_RNA)
where:
Base-Base interactions energy: -219.260
where: short stacking energy: -88.924
Base-Backbone interact. energy: -0.301
local terms energy: -106.009270
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -23.480
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: -23.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -299.692986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.692986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.692986 (E_RNA)
where:
Base-Base interactions energy: -199.588
where: short stacking energy: -86.705
Base-Backbone interact. energy: -0.778
local terms energy: -99.326486
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -22.288
flat angles C4'-P-C4' energy: -20.234
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -25.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -316.017107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.017107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.017107 (E_RNA)
where:
Base-Base interactions energy: -223.215
where: short stacking energy: -94.204
Base-Backbone interact. energy: -0.094
local terms energy: -92.707873
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -21.964
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -24.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -266.718469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.718469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.718469 (E_RNA)
where:
Base-Base interactions energy: -178.213
where: short stacking energy: -90.007
Base-Backbone interact. energy: 1.074
local terms energy: -89.579645
where:
bonds (distance) C4'-P energy: -20.078
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -19.514
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -24.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -184.687532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.687532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.687532 (E_RNA)
where:
Base-Base interactions energy: -102.469
where: short stacking energy: -51.367
Base-Backbone interact. energy: -0.305
local terms energy: -81.913456
where:
bonds (distance) C4'-P energy: -21.599
bonds (distance) P-C4' energy: -23.726
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -4.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -173.335130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.335130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.335130 (E_RNA)
where:
Base-Base interactions energy: -93.848
where: short stacking energy: -49.683
Base-Backbone interact. energy: -0.385
local terms energy: -79.102278
where:
bonds (distance) C4'-P energy: -22.020
bonds (distance) P-C4' energy: -20.681
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -8.070
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: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -117.540943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.540943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.540943 (E_RNA)
where:
Base-Base interactions energy: -52.329
where: short stacking energy: -29.812
Base-Backbone interact. energy: 1.970
local terms energy: -67.181675
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -21.351
flat angles C4'-P-C4' energy: -20.738
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: 2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -115.024342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.024342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.024342 (E_RNA)
where:
Base-Base interactions energy: -43.442
where: short stacking energy: -21.693
Base-Backbone interact. energy: -0.409
local terms energy: -71.174098
where:
bonds (distance) C4'-P energy: -23.727
bonds (distance) P-C4' energy: -22.636
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -14.997
tors. eta vs tors. theta energy: 4.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -101.674266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.674266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.674266 (E_RNA)
where:
Base-Base interactions energy: -38.724
where: short stacking energy: -32.974
Base-Backbone interact. energy: -0.209
local terms energy: -62.741472
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -21.953
flat angles C4'-P-C4' energy: -8.541
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -6.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -326.753687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.753687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.753687 (E_RNA)
where:
Base-Base interactions energy: -218.007
where: short stacking energy: -93.919
Base-Backbone interact. energy: -0.175
local terms energy: -108.571382
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -25.743
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -27.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -324.374656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.374656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.374656 (E_RNA)
where:
Base-Base interactions energy: -220.062
where: short stacking energy: -93.444
Base-Backbone interact. energy: -0.091
local terms energy: -104.222048
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -14.845
tors. eta vs tors. theta energy: -28.483
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: 191
Temperature: 1.000000
Total energy: -305.057022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.057022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.057022 (E_RNA)
where:
Base-Base interactions energy: -203.138
where: short stacking energy: -90.729
Base-Backbone interact. energy: -0.443
local terms energy: -101.475880
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -23.702
flat angles C4'-P-C4' energy: -21.140
flat angles P-C4'-P energy: -17.204
tors. eta vs tors. theta energy: -22.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -318.967138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.967138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.967138 (E_RNA)
where:
Base-Base interactions energy: -215.276
where: short stacking energy: -91.013
Base-Backbone interact. energy: -0.110
local terms energy: -103.581704
where:
bonds (distance) C4'-P energy: -21.656
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -19.924
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -27.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -266.448392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.448392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.448392 (E_RNA)
where:
Base-Base interactions energy: -175.194
where: short stacking energy: -81.014
Base-Backbone interact. energy: -0.196
local terms energy: -91.059093
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -21.098
flat angles P-C4'-P energy: -10.677
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: 6, replica: 3
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -191.664206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.664206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.664206 (E_RNA)
where:
Base-Base interactions energy: -97.759
where: short stacking energy: -61.508
Base-Backbone interact. energy: 0.810
local terms energy: -94.715792
where:
bonds (distance) C4'-P energy: -21.193
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -22.412
flat angles P-C4'-P energy: -15.953
tors. eta vs tors. theta energy: -14.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -181.634817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.634817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.634817 (E_RNA)
where:
Base-Base interactions energy: -101.194
where: short stacking energy: -57.796
Base-Backbone interact. energy: -0.115
local terms energy: -80.326266
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -122.225255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.225255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.225255 (E_RNA)
where:
Base-Base interactions energy: -55.010
where: short stacking energy: -44.093
Base-Backbone interact. energy: 0.533
local terms energy: -67.748337
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -106.906274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.906274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.906274 (E_RNA)
where:
Base-Base interactions energy: -48.395
where: short stacking energy: -33.093
Base-Backbone interact. energy: 1.059
local terms energy: -59.570052
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -2.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -93.706400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.706400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.706400 (E_RNA)
where:
Base-Base interactions energy: -29.085
where: short stacking energy: -26.963
Base-Backbone interact. energy: -0.872
local terms energy: -63.750133
where:
bonds (distance) C4'-P energy: -21.996
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: 0.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -333.656890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.656890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.656890 (E_RNA)
where:
Base-Base interactions energy: -225.517
where: short stacking energy: -97.205
Base-Backbone interact. energy: -0.139
local terms energy: -108.000346
where:
bonds (distance) C4'-P energy: -19.296
bonds (distance) P-C4' energy: -22.094
flat angles C4'-P-C4' energy: -20.100
flat angles P-C4'-P energy: -16.750
tors. eta vs tors. theta energy: -29.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -328.304795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.304795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.304795 (E_RNA)
where:
Base-Base interactions energy: -237.361
where: short stacking energy: -92.660
Base-Backbone interact. energy: -0.090
local terms energy: -90.853457
where:
bonds (distance) C4'-P energy: -22.063
bonds (distance) P-C4' energy: -20.967
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -10.303
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: 3, replica: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -308.808161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.808161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.808161 (E_RNA)
where:
Base-Base interactions energy: -213.459
where: short stacking energy: -95.371
Base-Backbone interact. energy: -0.171
local terms energy: -95.178320
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -22.593
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -24.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -281.520075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.520075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.520075 (E_RNA)
where:
Base-Base interactions energy: -190.511
where: short stacking energy: -79.708
Base-Backbone interact. energy: -0.420
local terms energy: -90.588722
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -18.280
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -19.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -272.269866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.269866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.269866 (E_RNA)
where:
Base-Base interactions energy: -190.906
where: short stacking energy: -87.365
Base-Backbone interact. energy: -0.044
local terms energy: -81.319089
where:
bonds (distance) C4'-P energy: -10.996
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -20.261
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -22.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -180.363425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.363425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.363425 (E_RNA)
where:
Base-Base interactions energy: -106.931
where: short stacking energy: -49.635
Base-Backbone interact. energy: 0.248
local terms energy: -73.680156
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -13.134
tors. eta vs tors. theta energy: -8.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -185.193022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.193022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.193022 (E_RNA)
where:
Base-Base interactions energy: -98.821
where: short stacking energy: -59.883
Base-Backbone interact. energy: -0.837
local terms energy: -85.534552
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -18.984
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -15.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -144.109839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.109839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.109839 (E_RNA)
where:
Base-Base interactions energy: -75.404
where: short stacking energy: -38.166
Base-Backbone interact. energy: -0.185
local terms energy: -68.521181
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -11.236
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: 9, replica: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -121.708003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.708003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.708003 (E_RNA)
where:
Base-Base interactions energy: -57.660
where: short stacking energy: -32.753
Base-Backbone interact. energy: 0.268
local terms energy: -64.315446
where:
bonds (distance) C4'-P energy: -18.651
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -1.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -98.850749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.850749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.850749 (E_RNA)
where:
Base-Base interactions energy: -32.625
where: short stacking energy: -31.391
Base-Backbone interact. energy: -0.224
local terms energy: -66.001066
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -18.417
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: -5.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -333.317938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.317938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.317938 (E_RNA)
where:
Base-Base interactions energy: -225.047
where: short stacking energy: -95.883
Base-Backbone interact. energy: -0.078
local terms energy: -108.192879
where:
bonds (distance) C4'-P energy: -19.678
bonds (distance) P-C4' energy: -21.454
flat angles C4'-P-C4' energy: -24.505
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -27.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -326.810159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.810159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.810159 (E_RNA)
where:
Base-Base interactions energy: -234.068
where: short stacking energy: -88.309
Base-Backbone interact. energy: -0.095
local terms energy: -92.647058
where:
bonds (distance) C4'-P energy: -19.040
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -21.564
flat angles P-C4'-P energy: -8.858
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: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -313.262880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.262880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.262880 (E_RNA)
where:
Base-Base interactions energy: -213.884
where: short stacking energy: -91.471
Base-Backbone interact. energy: 0.207
local terms energy: -99.586092
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -19.270
flat angles C4'-P-C4' energy: -22.553
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -23.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -283.082966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.082966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.082966 (E_RNA)
where:
Base-Base interactions energy: -188.243
where: short stacking energy: -72.532
Base-Backbone interact. energy: -0.848
local terms energy: -93.991337
where:
bonds (distance) C4'-P energy: -18.863
bonds (distance) P-C4' energy: -19.487
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -17.564
tors. eta vs tors. theta energy: -20.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -269.193140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.193140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.193140 (E_RNA)
where:
Base-Base interactions energy: -174.256
where: short stacking energy: -77.633
Base-Backbone interact. energy: 0.150
local terms energy: -95.087267
where:
bonds (distance) C4'-P energy: -20.648
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -22.955
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -20.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -191.564041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.564041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.564041 (E_RNA)
where:
Base-Base interactions energy: -116.754
where: short stacking energy: -51.268
Base-Backbone interact. energy: -0.234
local terms energy: -74.576124
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -17.758
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -10.771
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: 7, replica: 5
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -177.318361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.318361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.318361 (E_RNA)
where:
Base-Base interactions energy: -105.085
where: short stacking energy: -47.004
Base-Backbone interact. energy: 2.718
local terms energy: -74.950881
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -7.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -134.658497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.658497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.658497 (E_RNA)
where:
Base-Base interactions energy: -66.234
where: short stacking energy: -38.810
Base-Backbone interact. energy: -0.586
local terms energy: -67.838773
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -20.427
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -9.054
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: 9, replica: 4
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -105.326909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.326909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.326909 (E_RNA)
where:
Base-Base interactions energy: -42.429
where: short stacking energy: -38.657
Base-Backbone interact. energy: -0.491
local terms energy: -62.406590
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -1.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -103.017756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.017756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.017756 (E_RNA)
where:
Base-Base interactions energy: -47.741
where: short stacking energy: -27.844
Base-Backbone interact. energy: -0.297
local terms energy: -54.980090
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -22.085
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: 4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -329.935547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.935547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.935547 (E_RNA)
where:
Base-Base interactions energy: -221.097
where: short stacking energy: -97.741
Base-Backbone interact. energy: -0.819
local terms energy: -108.019449
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -23.666
flat angles C4'-P-C4' energy: -21.409
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -29.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -330.438166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.438166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.438166 (E_RNA)
where:
Base-Base interactions energy: -223.184
where: short stacking energy: -103.324
Base-Backbone interact. energy: -0.987
local terms energy: -106.266486
where:
bonds (distance) C4'-P energy: -20.203
bonds (distance) P-C4' energy: -18.856
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: -29.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -325.259202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.259202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.259202 (E_RNA)
where:
Base-Base interactions energy: -225.969
where: short stacking energy: -93.722
Base-Backbone interact. energy: 0.422
local terms energy: -99.712013
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -23.589
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -15.787
tors. eta vs tors. theta energy: -23.372
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: 6
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -289.507791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.507791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.507791 (E_RNA)
where:
Base-Base interactions energy: -192.601
where: short stacking energy: -81.319
Base-Backbone interact. energy: -0.094
local terms energy: -96.812652
where:
bonds (distance) C4'-P energy: -22.178
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -19.531
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -25.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -265.724602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.724602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.724602 (E_RNA)
where:
Base-Base interactions energy: -177.560
where: short stacking energy: -75.861
Base-Backbone interact. energy: -0.402
local terms energy: -87.762908
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -22.571
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -17.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -193.164185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.164185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.164185 (E_RNA)
where:
Base-Base interactions energy: -110.981
where: short stacking energy: -71.108
Base-Backbone interact. energy: -0.192
local terms energy: -81.990830
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -19.426
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -21.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -173.927818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.927818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.927818 (E_RNA)
where:
Base-Base interactions energy: -93.080
where: short stacking energy: -49.792
Base-Backbone interact. energy: -0.414
local terms energy: -80.433691
where:
bonds (distance) C4'-P energy: -9.559
bonds (distance) P-C4' energy: -21.676
flat angles C4'-P-C4' energy: -21.512
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -14.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -132.494345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.494345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.494345 (E_RNA)
where:
Base-Base interactions energy: -66.665
where: short stacking energy: -40.041
Base-Backbone interact. energy: -0.644
local terms energy: -65.185410
where:
bonds (distance) C4'-P energy: -18.160
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -2.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -100.582144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.582144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.582144 (E_RNA)
where:
Base-Base interactions energy: -35.425
where: short stacking energy: -35.425
Base-Backbone interact. energy: -0.360
local terms energy: -64.797134
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -3.004
tors. eta vs tors. theta energy: -8.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -102.446097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.446097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.446097 (E_RNA)
where:
Base-Base interactions energy: -38.149
where: short stacking energy: -29.681
Base-Backbone interact. energy: -0.187
local terms energy: -64.110444
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -19.403
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -3.528
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: 7
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -324.186523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.186523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.186523 (E_RNA)
where:
Base-Base interactions energy: -222.248
where: short stacking energy: -100.511
Base-Backbone interact. energy: -0.268
local terms energy: -101.670878
where:
bonds (distance) C4'-P energy: -22.066
bonds (distance) P-C4' energy: -16.506
flat angles C4'-P-C4' energy: -23.033
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -24.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -325.922027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.922027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.922027 (E_RNA)
where:
Base-Base interactions energy: -223.564
where: short stacking energy: -100.975
Base-Backbone interact. energy: -0.480
local terms energy: -101.878296
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -20.033
flat angles C4'-P-C4' energy: -22.570
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -30.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -323.788283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.788283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.788283 (E_RNA)
where:
Base-Base interactions energy: -222.665
where: short stacking energy: -96.572
Base-Backbone interact. energy: -0.340
local terms energy: -100.783326
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -20.289
flat angles C4'-P-C4' energy: -21.553
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -24.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -291.113099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.113099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.113099 (E_RNA)
where:
Base-Base interactions energy: -201.186
where: short stacking energy: -83.989
Base-Backbone interact. energy: -0.587
local terms energy: -89.340741
where:
bonds (distance) C4'-P energy: -20.611
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -19.778
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -21.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -261.188091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.188091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.188091 (E_RNA)
where:
Base-Base interactions energy: -167.994
where: short stacking energy: -81.768
Base-Backbone interact. energy: -1.399
local terms energy: -91.795620
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -21.948
flat angles C4'-P-C4' energy: -19.256
flat angles P-C4'-P energy: -15.258
tors. eta vs tors. theta energy: -19.500
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: 195
Temperature: 1.150000
Total energy: -194.802955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.802955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.802955 (E_RNA)
where:
Base-Base interactions energy: -125.031
where: short stacking energy: -46.836
Base-Backbone interact. energy: 1.441
local terms energy: -71.212932
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -22.394
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -188.750334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.750334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.750334 (E_RNA)
where:
Base-Base interactions energy: -115.357
where: short stacking energy: -61.198
Base-Backbone interact. energy: -0.177
local terms energy: -73.215701
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -18.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -117.872385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.872385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.872385 (E_RNA)
where:
Base-Base interactions energy: -44.984
where: short stacking energy: -44.768
Base-Backbone interact. energy: -0.217
local terms energy: -72.671404
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -20.081
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -11.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -101.756813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.756813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.756813 (E_RNA)
where:
Base-Base interactions energy: -45.123
where: short stacking energy: -44.641
Base-Backbone interact. energy: -0.174
local terms energy: -56.460417
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -18.764
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -2.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -102.428245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.428245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.428245 (E_RNA)
where:
Base-Base interactions energy: -41.674
where: short stacking energy: -35.616
Base-Backbone interact. energy: 0.041
local terms energy: -60.796159
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -2.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -337.722530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.722530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.722530 (E_RNA)
where:
Base-Base interactions energy: -229.183
where: short stacking energy: -99.525
Base-Backbone interact. energy: -0.194
local terms energy: -108.345002
where:
bonds (distance) C4'-P energy: -18.047
bonds (distance) P-C4' energy: -21.555
flat angles C4'-P-C4' energy: -24.481
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -30.733
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: 196
Temperature: 0.950000
Total energy: -321.311082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.311082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.311082 (E_RNA)
where:
Base-Base interactions energy: -218.429
where: short stacking energy: -96.611
Base-Backbone interact. energy: -0.351
local terms energy: -102.530930
where:
bonds (distance) C4'-P energy: -22.032
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -20.898
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -26.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -314.908426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.908426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.908426 (E_RNA)
where:
Base-Base interactions energy: -216.564
where: short stacking energy: -95.388
Base-Backbone interact. energy: -0.079
local terms energy: -98.265606
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -22.037
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: -27.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -296.871918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.871918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.871918 (E_RNA)
where:
Base-Base interactions energy: -200.849
where: short stacking energy: -94.980
Base-Backbone interact. energy: 0.465
local terms energy: -96.487857
where:
bonds (distance) C4'-P energy: -21.602
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -26.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -254.017242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.017242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.017242 (E_RNA)
where:
Base-Base interactions energy: -175.545
where: short stacking energy: -64.233
Base-Backbone interact. energy: -0.850
local terms energy: -77.622027
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -20.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -207.456166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.456166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.456166 (E_RNA)
where:
Base-Base interactions energy: -118.288
where: short stacking energy: -59.668
Base-Backbone interact. energy: -0.236
local terms energy: -88.931735
where:
bonds (distance) C4'-P energy: -20.436
bonds (distance) P-C4' energy: -18.581
flat angles C4'-P-C4' energy: -21.070
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -16.194
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: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -204.123572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.123572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.123572 (E_RNA)
where:
Base-Base interactions energy: -126.168
where: short stacking energy: -66.098
Base-Backbone interact. energy: -0.620
local terms energy: -77.335336
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -22.415
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -13.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -112.941049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.941049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.941049 (E_RNA)
where:
Base-Base interactions energy: -44.217
where: short stacking energy: -43.605
Base-Backbone interact. energy: -0.734
local terms energy: -67.989855
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -21.317
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -2.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -103.994708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.994708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.994708 (E_RNA)
where:
Base-Base interactions energy: -34.767
where: short stacking energy: -32.245
Base-Backbone interact. energy: -0.714
local terms energy: -68.514048
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -7.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -109.163984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.163984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.163984 (E_RNA)
where:
Base-Base interactions energy: -55.460
where: short stacking energy: -37.063
Base-Backbone interact. energy: -0.135
local terms energy: -53.569369
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -19.425
flat angles P-C4'-P energy: -4.234
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: 1, replica: 7
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -331.858044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.858044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.858044 (E_RNA)
where:
Base-Base interactions energy: -225.826
where: short stacking energy: -98.419
Base-Backbone interact. energy: -0.506
local terms energy: -105.526512
where:
bonds (distance) C4'-P energy: -20.754
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -22.093
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -30.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -328.909161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.909161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.909161 (E_RNA)
where:
Base-Base interactions energy: -222.832
where: short stacking energy: -97.333
Base-Backbone interact. energy: -0.489
local terms energy: -105.588221
where:
bonds (distance) C4'-P energy: -21.366
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -21.344
flat angles P-C4'-P energy: -18.184
tors. eta vs tors. theta energy: -25.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -321.152905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.152905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.152905 (E_RNA)
where:
Base-Base interactions energy: -220.268
where: short stacking energy: -90.943
Base-Backbone interact. energy: 0.192
local terms energy: -101.076952
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -20.642
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -14.265
tors. eta vs tors. theta energy: -27.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -263.250229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.250229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.250229 (E_RNA)
where:
Base-Base interactions energy: -178.561
where: short stacking energy: -76.297
Base-Backbone interact. energy: -0.158
local terms energy: -84.531809
where:
bonds (distance) C4'-P energy: -20.926
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -14.874
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: 5, replica: 6
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -288.182979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.182979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.182979 (E_RNA)
where:
Base-Base interactions energy: -198.684
where: short stacking energy: -78.625
Base-Backbone interact. energy: -0.268
local terms energy: -89.230794
where:
bonds (distance) C4'-P energy: -19.556
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -22.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -191.900436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.900436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.900436 (E_RNA)
where:
Base-Base interactions energy: -123.161
where: short stacking energy: -61.191
Base-Backbone interact. energy: -0.209
local terms energy: -68.531331
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -10.276
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: 7, replica: 3
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -204.958113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.958113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.958113 (E_RNA)
where:
Base-Base interactions energy: -124.628
where: short stacking energy: -65.304
Base-Backbone interact. energy: -0.272
local terms energy: -80.057624
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -14.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -104.166371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.166371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.166371 (E_RNA)
where:
Base-Base interactions energy: -27.519
where: short stacking energy: -27.519
Base-Backbone interact. energy: -0.275
local terms energy: -76.372339
where:
bonds (distance) C4'-P energy: -19.117
bonds (distance) P-C4' energy: -22.258
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -14.627
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: 9, replica: 8
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -117.415326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.415326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.415326 (E_RNA)
where:
Base-Base interactions energy: -53.620
where: short stacking energy: -42.100
Base-Backbone interact. energy: -0.122
local terms energy: -63.673563
where:
bonds (distance) C4'-P energy: -19.603
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -101.739623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.739623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.739623 (E_RNA)
where:
Base-Base interactions energy: -33.377
where: short stacking energy: -33.377
Base-Backbone interact. energy: -0.522
local terms energy: -67.840908
where:
bonds (distance) C4'-P energy: -21.412
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: 0.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -328.684171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.684171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.684171 (E_RNA)
where:
Base-Base interactions energy: -228.406
where: short stacking energy: -97.105
Base-Backbone interact. energy: -0.650
local terms energy: -99.628205
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -17.956
flat angles C4'-P-C4' energy: -22.928
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -29.659
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: 2, replica: 9
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -319.754200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.754200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.754200 (E_RNA)
where:
Base-Base interactions energy: -222.774
where: short stacking energy: -97.569
Base-Backbone interact. energy: -0.025
local terms energy: -96.954758
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -22.684
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -25.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -311.103131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.103131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.103131 (E_RNA)
where:
Base-Base interactions energy: -205.434
where: short stacking energy: -84.775
Base-Backbone interact. energy: -0.663
local terms energy: -105.006953
where:
bonds (distance) C4'-P energy: -19.095
bonds (distance) P-C4' energy: -22.760
flat angles C4'-P-C4' energy: -20.613
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -29.577
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: 10
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -267.783846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.783846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.783846 (E_RNA)
where:
Base-Base interactions energy: -184.788
where: short stacking energy: -77.882
Base-Backbone interact. energy: -0.004
local terms energy: -82.992807
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -19.148
flat angles P-C4'-P energy: -6.646
tors. eta vs tors. theta energy: -19.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -277.657363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.657363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.657363 (E_RNA)
where:
Base-Base interactions energy: -180.663
where: short stacking energy: -83.070
Base-Backbone interact. energy: -0.114
local terms energy: -96.880430
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -22.409
flat angles C4'-P-C4' energy: -22.640
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -21.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -205.584160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.584160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.584160 (E_RNA)
where:
Base-Base interactions energy: -133.577
where: short stacking energy: -51.368
Base-Backbone interact. energy: -0.017
local terms energy: -71.990393
where:
bonds (distance) C4'-P energy: -18.734
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -12.030
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: 7, replica: 3
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -198.265237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.265237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.265237 (E_RNA)
where:
Base-Base interactions energy: -120.311
where: short stacking energy: -69.542
Base-Backbone interact. energy: -0.263
local terms energy: -77.690939
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -17.969
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -15.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -118.301420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.301420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.301420 (E_RNA)
where:
Base-Base interactions energy: -58.076
where: short stacking energy: -51.052
Base-Backbone interact. energy: 0.341
local terms energy: -60.565984
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -10.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -98.282346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.282346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.282346 (E_RNA)
where:
Base-Base interactions energy: -43.612
where: short stacking energy: -29.592
Base-Backbone interact. energy: -0.213
local terms energy: -54.456953
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -9.188
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: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -99.176940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.176940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.176940 (E_RNA)
where:
Base-Base interactions energy: -49.892
where: short stacking energy: -23.900
Base-Backbone interact. energy: 0.171
local terms energy: -49.455701
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: 4.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -326.228698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.228698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.228698 (E_RNA)
where:
Base-Base interactions energy: -220.204
where: short stacking energy: -92.731
Base-Backbone interact. energy: -0.078
local terms energy: -105.946928
where:
bonds (distance) C4'-P energy: -19.049
bonds (distance) P-C4' energy: -21.891
flat angles C4'-P-C4' energy: -24.554
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -27.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -327.702038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.702038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.702038 (E_RNA)
where:
Base-Base interactions energy: -226.835
where: short stacking energy: -104.275
Base-Backbone interact. energy: 0.605
local terms energy: -101.472046
where:
bonds (distance) C4'-P energy: -17.950
bonds (distance) P-C4' energy: -17.783
flat angles C4'-P-C4' energy: -20.154
flat angles P-C4'-P energy: -17.165
tors. eta vs tors. theta energy: -28.421
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: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -316.168715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.168715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.168715 (E_RNA)
where:
Base-Base interactions energy: -213.044
where: short stacking energy: -94.106
Base-Backbone interact. energy: -0.109
local terms energy: -103.016423
where:
bonds (distance) C4'-P energy: -20.075
bonds (distance) P-C4' energy: -22.599
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -15.078
tors. eta vs tors. theta energy: -25.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -295.545180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.545180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.545180 (E_RNA)
where:
Base-Base interactions energy: -198.078
where: short stacking energy: -84.923
Base-Backbone interact. energy: -0.960
local terms energy: -96.507668
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -20.034
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -16.932
tors. eta vs tors. theta energy: -21.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -219.074996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.074996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.074996 (E_RNA)
where:
Base-Base interactions energy: -135.618
where: short stacking energy: -72.144
Base-Backbone interact. energy: -0.331
local terms energy: -83.125949
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -16.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -201.337174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.337174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.337174 (E_RNA)
where:
Base-Base interactions energy: -113.224
where: short stacking energy: -71.292
Base-Backbone interact. energy: -0.088
local terms energy: -88.025859
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -15.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -202.592691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.592691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.592691 (E_RNA)
where:
Base-Base interactions energy: -131.718
where: short stacking energy: -62.451
Base-Backbone interact. energy: 0.086
local terms energy: -70.960804
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -15.348
tors. eta vs tors. theta energy: -13.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -158.132748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.132748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.132748 (E_RNA)
where:
Base-Base interactions energy: -90.364
where: short stacking energy: -58.738
Base-Backbone interact. energy: -0.926
local terms energy: -66.842434
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -20.768
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -9.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -99.756670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.756670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.756670 (E_RNA)
where:
Base-Base interactions energy: -32.270
where: short stacking energy: -32.270
Base-Backbone interact. energy: 0.392
local terms energy: -67.878202
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -21.549
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -16.431
tors. eta vs tors. theta energy: -1.925
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: 8
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -101.333652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.333652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.333652 (E_RNA)
where:
Base-Base interactions energy: -41.371
where: short stacking energy: -30.229
Base-Backbone interact. energy: 0.529
local terms energy: -60.492018
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -16.240
tors. eta vs tors. theta energy: 4.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -327.371246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.371246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.371246 (E_RNA)
where:
Base-Base interactions energy: -228.848
where: short stacking energy: -107.536
Base-Backbone interact. energy: -0.085
local terms energy: -98.437851
where:
bonds (distance) C4'-P energy: -21.574
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -22.070
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -25.061
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: 9
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -324.424270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.424270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.424270 (E_RNA)
where:
Base-Base interactions energy: -238.744
where: short stacking energy: -96.218
Base-Backbone interact. energy: -0.020
local terms energy: -85.660872
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -18.803
flat angles C4'-P-C4' energy: -18.878
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -23.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -305.684379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.684379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.684379 (E_RNA)
where:
Base-Base interactions energy: -206.272
where: short stacking energy: -87.209
Base-Backbone interact. energy: -0.257
local terms energy: -99.155883
where:
bonds (distance) C4'-P energy: -21.829
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -24.658
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: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -310.822297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.822297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.822297 (E_RNA)
where:
Base-Base interactions energy: -209.264
where: short stacking energy: -92.657
Base-Backbone interact. energy: -0.200
local terms energy: -101.358745
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -18.164
flat angles C4'-P-C4' energy: -21.445
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -31.083
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: 5, replica: 10
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -238.449818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.449818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.449818 (E_RNA)
where:
Base-Base interactions energy: -152.100
where: short stacking energy: -61.168
Base-Backbone interact. energy: -0.210
local terms energy: -86.140081
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -21.593
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -14.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -200.372494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.372494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.372494 (E_RNA)
where:
Base-Base interactions energy: -121.297
where: short stacking energy: -70.616
Base-Backbone interact. energy: -0.226
local terms energy: -78.849472
where:
bonds (distance) C4'-P energy: -19.980
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -15.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -204.571325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.571325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.571325 (E_RNA)
where:
Base-Base interactions energy: -126.323
where: short stacking energy: -60.053
Base-Backbone interact. energy: -1.128
local terms energy: -77.120214
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -21.927
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -11.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -128.325974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.325974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.325974 (E_RNA)
where:
Base-Base interactions energy: -77.619
where: short stacking energy: -49.329
Base-Backbone interact. energy: -0.188
local terms energy: -50.519260
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -8.452
flat angles P-C4'-P energy: -4.797
tors. eta vs tors. theta energy: -7.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -114.934128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.934128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.934128 (E_RNA)
where:
Base-Base interactions energy: -52.445
where: short stacking energy: -41.067
Base-Backbone interact. energy: -0.087
local terms energy: -62.402265
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -3.450
tors. eta vs tors. theta energy: -7.662
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: 10, replica: 4
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -117.665126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.665126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.665126 (E_RNA)
where:
Base-Base interactions energy: -52.949
where: short stacking energy: -36.830
Base-Backbone interact. energy: -0.596
local terms energy: -64.120137
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -19.234
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: 1.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -329.112596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.112596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.112596 (E_RNA)
where:
Base-Base interactions energy: -225.896
where: short stacking energy: -86.739
Base-Backbone interact. energy: -0.039
local terms energy: -103.177714
where:
bonds (distance) C4'-P energy: -19.169
bonds (distance) P-C4' energy: -22.611
flat angles C4'-P-C4' energy: -23.439
flat angles P-C4'-P energy: -15.565
tors. eta vs tors. theta energy: -22.394
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: 6
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -310.536216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.536216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.536216 (E_RNA)
where:
Base-Base interactions energy: -205.808
where: short stacking energy: -87.900
Base-Backbone interact. energy: -0.005
local terms energy: -104.722935
where:
bonds (distance) C4'-P energy: -22.514
bonds (distance) P-C4' energy: -19.261
flat angles C4'-P-C4' energy: -22.689
flat angles P-C4'-P energy: -15.526
tors. eta vs tors. theta energy: -24.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -318.481400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.481400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.481400 (E_RNA)
where:
Base-Base interactions energy: -217.222
where: short stacking energy: -95.371
Base-Backbone interact. energy: -0.668
local terms energy: -100.591354
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -21.011
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -25.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -304.384105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.384105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.384105 (E_RNA)
where:
Base-Base interactions energy: -208.501
where: short stacking energy: -81.077
Base-Backbone interact. energy: 0.032
local terms energy: -95.914958
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -20.156
flat angles C4'-P-C4' energy: -20.409
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: -23.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -255.505756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.505756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.505756 (E_RNA)
where:
Base-Base interactions energy: -173.872
where: short stacking energy: -67.673
Base-Backbone interact. energy: -0.164
local terms energy: -81.469627
where:
bonds (distance) C4'-P energy: -18.473
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -12.655
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: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -196.089142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.089142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.089142 (E_RNA)
where:
Base-Base interactions energy: -111.723
where: short stacking energy: -70.482
Base-Backbone interact. energy: -0.022
local terms energy: -84.343365
where:
bonds (distance) C4'-P energy: -20.966
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -15.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -192.804194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.804194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.804194 (E_RNA)
where:
Base-Base interactions energy: -106.056
where: short stacking energy: -57.392
Base-Backbone interact. energy: -0.154
local terms energy: -86.593787
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -22.568
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -16.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -115.706883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.706883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.706883 (E_RNA)
where:
Base-Base interactions energy: -53.518
where: short stacking energy: -40.084
Base-Backbone interact. energy: -0.204
local terms energy: -61.985171
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -0.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -112.883497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.883497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.883497 (E_RNA)
where:
Base-Base interactions energy: -42.521
where: short stacking energy: -30.217
Base-Backbone interact. energy: -0.427
local terms energy: -69.935105
where:
bonds (distance) C4'-P energy: -19.218
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -117.081261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.081261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.081261 (E_RNA)
where:
Base-Base interactions energy: -58.331
where: short stacking energy: -28.035
Base-Backbone interact. energy: -0.607
local terms energy: -58.143435
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -18.815
flat angles P-C4'-P energy: 0.801
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -330.985085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.985085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.985085 (E_RNA)
where:
Base-Base interactions energy: -217.385
where: short stacking energy: -92.480
Base-Backbone interact. energy: -0.100
local terms energy: -113.499486
where:
bonds (distance) C4'-P energy: -24.066
bonds (distance) P-C4' energy: -23.037
flat angles C4'-P-C4' energy: -22.324
flat angles P-C4'-P energy: -17.763
tors. eta vs tors. theta energy: -26.309
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: 6
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -312.737590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.737590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.737590 (E_RNA)
where:
Base-Base interactions energy: -205.081
where: short stacking energy: -91.248
Base-Backbone interact. energy: -0.664
local terms energy: -106.991716
where:
bonds (distance) C4'-P energy: -19.417
bonds (distance) P-C4' energy: -19.878
flat angles C4'-P-C4' energy: -23.838
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -29.348
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: 2
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -307.865936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.865936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.865936 (E_RNA)
where:
Base-Base interactions energy: -217.457
where: short stacking energy: -85.445
Base-Backbone interact. energy: -0.205
local terms energy: -90.204366
where:
bonds (distance) C4'-P energy: -19.612
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -19.673
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: -23.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -304.463662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.463662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.463662 (E_RNA)
where:
Base-Base interactions energy: -200.900
where: short stacking energy: -87.015
Base-Backbone interact. energy: -0.976
local terms energy: -102.587236
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -22.257
flat angles C4'-P-C4' energy: -23.319
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: -23.024
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: 5, replica: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -267.466843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.466843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.466843 (E_RNA)
where:
Base-Base interactions energy: -176.737
where: short stacking energy: -69.562
Base-Backbone interact. energy: -0.908
local terms energy: -89.821931
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -19.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -199.167520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.167520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.167520 (E_RNA)
where:
Base-Base interactions energy: -119.272
where: short stacking energy: -47.818
Base-Backbone interact. energy: 0.228
local terms energy: -80.123433
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -20.826
flat angles P-C4'-P energy: -13.376
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: 7, replica: 3
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -178.766273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.766273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.766273 (E_RNA)
where:
Base-Base interactions energy: -105.795
where: short stacking energy: -55.795
Base-Backbone interact. energy: -1.249
local terms energy: -71.722002
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -22.645
flat angles C4'-P-C4' energy: -18.785
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -5.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -108.230372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.230372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.230372 (E_RNA)
where:
Base-Base interactions energy: -41.980
where: short stacking energy: -37.441
Base-Backbone interact. energy: -0.185
local terms energy: -66.064566
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -21.703
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -5.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -131.534108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.534108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.534108 (E_RNA)
where:
Base-Base interactions energy: -58.636
where: short stacking energy: -39.626
Base-Backbone interact. energy: -0.044
local terms energy: -72.853983
where:
bonds (distance) C4'-P energy: -17.883
bonds (distance) P-C4' energy: -19.377
flat angles C4'-P-C4' energy: -18.206
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -6.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -110.567189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.567189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.567189 (E_RNA)
where:
Base-Base interactions energy: -37.917
where: short stacking energy: -37.796
Base-Backbone interact. energy: -0.134
local terms energy: -72.516572
where:
bonds (distance) C4'-P energy: -21.736
bonds (distance) P-C4' energy: -10.893
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -7.699
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: 203
Temperature: 0.900000
Total energy: -335.185937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.185937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.185937 (E_RNA)
where:
Base-Base interactions energy: -222.744
where: short stacking energy: -99.753
Base-Backbone interact. energy: -0.133
local terms energy: -112.308250
where:
bonds (distance) C4'-P energy: -21.594
bonds (distance) P-C4' energy: -23.755
flat angles C4'-P-C4' energy: -22.960
flat angles P-C4'-P energy: -17.050
tors. eta vs tors. theta energy: -26.949
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: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -314.752090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.752090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.752090 (E_RNA)
where:
Base-Base interactions energy: -218.662
where: short stacking energy: -88.708
Base-Backbone interact. energy: -0.113
local terms energy: -95.977158
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -20.947
flat angles C4'-P-C4' energy: -20.478
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -23.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -300.332517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.332517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.332517 (E_RNA)
where:
Base-Base interactions energy: -201.919
where: short stacking energy: -89.040
Base-Backbone interact. energy: -1.640
local terms energy: -96.773250
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -25.878
flat angles P-C4'-P energy: -9.764
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: 4, replica: 9
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -312.734103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.734103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.734103 (E_RNA)
where:
Base-Base interactions energy: -218.956
where: short stacking energy: -94.738
Base-Backbone interact. energy: -0.267
local terms energy: -93.510236
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -22.035
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -26.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -275.475919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.475919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.475919 (E_RNA)
where:
Base-Base interactions energy: -176.626
where: short stacking energy: -66.670
Base-Backbone interact. energy: -0.110
local terms energy: -98.739484
where:
bonds (distance) C4'-P energy: -20.679
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -21.945
flat angles P-C4'-P energy: -16.033
tors. eta vs tors. theta energy: -19.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -186.955292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.955292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.955292 (E_RNA)
where:
Base-Base interactions energy: -108.831
where: short stacking energy: -68.630
Base-Backbone interact. energy: -0.492
local terms energy: -77.632222
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -20.832
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -12.812
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: 7, replica: 5
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -195.439392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.439392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.439392 (E_RNA)
where:
Base-Base interactions energy: -121.861
where: short stacking energy: -52.935
Base-Backbone interact. energy: -0.522
local terms energy: -73.057017
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -21.284
flat angles P-C4'-P energy: -4.873
tors. eta vs tors. theta energy: -10.023
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: 8, replica: 4
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -133.108030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.108030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.108030 (E_RNA)
where:
Base-Base interactions energy: -77.715
where: short stacking energy: -47.188
Base-Backbone interact. energy: -0.281
local terms energy: -55.112458
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -11.526
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -8.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -111.162221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.162221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.162221 (E_RNA)
where:
Base-Base interactions energy: -44.504
where: short stacking energy: -37.150
Base-Backbone interact. energy: 0.542
local terms energy: -67.200092
where:
bonds (distance) C4'-P energy: -20.980
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -14.282
tors. eta vs tors. theta energy: -5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -105.726932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.726932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.726932 (E_RNA)
where:
Base-Base interactions energy: -39.167
where: short stacking energy: -34.572
Base-Backbone interact. energy: 0.155
local terms energy: -66.715349
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -14.406
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: 7
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -338.279349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.279349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.279349 (E_RNA)
where:
Base-Base interactions energy: -232.563
where: short stacking energy: -103.508
Base-Backbone interact. energy: -0.103
local terms energy: -105.613458
where:
bonds (distance) C4'-P energy: -21.130
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -23.725
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -30.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -325.423737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.423737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.423737 (E_RNA)
where:
Base-Base interactions energy: -219.776
where: short stacking energy: -89.783
Base-Backbone interact. energy: -0.101
local terms energy: -105.545995
where:
bonds (distance) C4'-P energy: -20.939
bonds (distance) P-C4' energy: -21.732
flat angles C4'-P-C4' energy: -19.566
flat angles P-C4'-P energy: -15.155
tors. eta vs tors. theta energy: -28.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -313.721293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.721293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.721293 (E_RNA)
where:
Base-Base interactions energy: -218.933
where: short stacking energy: -92.114
Base-Backbone interact. energy: -0.113
local terms energy: -94.675101
where:
bonds (distance) C4'-P energy: -19.578
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -20.744
flat angles P-C4'-P energy: -17.345
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: 6
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -295.072566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.072566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.072566 (E_RNA)
where:
Base-Base interactions energy: -200.671
where: short stacking energy: -86.570
Base-Backbone interact. energy: -0.125
local terms energy: -94.276781
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -15.011
tors. eta vs tors. theta energy: -26.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -252.948236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.948236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.948236 (E_RNA)
where:
Base-Base interactions energy: -168.262
where: short stacking energy: -71.467
Base-Backbone interact. energy: -0.709
local terms energy: -83.977802
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -19.135
flat angles C4'-P-C4' energy: -20.572
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -187.132012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.132012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.132012 (E_RNA)
where:
Base-Base interactions energy: -103.833
where: short stacking energy: -63.786
Base-Backbone interact. energy: -0.046
local terms energy: -83.253336
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -19.787
flat angles C4'-P-C4' energy: -19.098
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -15.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -191.457528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.457528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.457528 (E_RNA)
where:
Base-Base interactions energy: -106.758
where: short stacking energy: -62.260
Base-Backbone interact. energy: 0.350
local terms energy: -85.050149
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -23.138
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -14.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -120.716246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.716246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.716246 (E_RNA)
where:
Base-Base interactions energy: -42.803
where: short stacking energy: -42.803
Base-Backbone interact. energy: -0.470
local terms energy: -77.443591
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -9.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -110.873248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.873248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.873248 (E_RNA)
where:
Base-Base interactions energy: -49.088
where: short stacking energy: -42.513
Base-Backbone interact. energy: -0.136
local terms energy: -61.649002
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -3.867
tors. eta vs tors. theta energy: -7.906
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: 8
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -109.399316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.399316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.399316 (E_RNA)
where:
Base-Base interactions energy: -47.301
where: short stacking energy: -35.578
Base-Backbone interact. energy: 0.132
local terms energy: -62.230884
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -9.955
flat angles P-C4'-P energy: -13.444
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: 7
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -331.823551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.823551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.823551 (E_RNA)
where:
Base-Base interactions energy: -222.082
where: short stacking energy: -97.590
Base-Backbone interact. energy: 1.395
local terms energy: -111.136849
where:
bonds (distance) C4'-P energy: -21.014
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -29.266
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: 9
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -315.685132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.685132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.685132 (E_RNA)
where:
Base-Base interactions energy: -210.661
where: short stacking energy: -90.622
Base-Backbone interact. energy: -0.391
local terms energy: -104.633179
where:
bonds (distance) C4'-P energy: -22.817
bonds (distance) P-C4' energy: -22.000
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -28.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -317.233436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.233436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.233436 (E_RNA)
where:
Base-Base interactions energy: -209.223
where: short stacking energy: -91.195
Base-Backbone interact. energy: -1.340
local terms energy: -106.670498
where:
bonds (distance) C4'-P energy: -23.043
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -24.622
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -26.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -288.250346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.250346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.250346 (E_RNA)
where:
Base-Base interactions energy: -186.516
where: short stacking energy: -75.970
Base-Backbone interact. energy: -0.135
local terms energy: -101.599357
where:
bonds (distance) C4'-P energy: -23.017
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -19.837
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -23.449
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: 5, replica: 10
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -244.449496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.449496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.449496 (E_RNA)
where:
Base-Base interactions energy: -158.796
where: short stacking energy: -76.254
Base-Backbone interact. energy: -0.096
local terms energy: -85.557512
where:
bonds (distance) C4'-P energy: -21.728
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -20.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -187.032038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.032038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.032038 (E_RNA)
where:
Base-Base interactions energy: -105.213
where: short stacking energy: -58.320
Base-Backbone interact. energy: -0.242
local terms energy: -81.577089
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -17.937
flat angles C4'-P-C4' energy: -21.431
flat angles P-C4'-P energy: -15.453
tors. eta vs tors. theta energy: -11.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -162.690959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.690959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.690959 (E_RNA)
where:
Base-Base interactions energy: -88.998
where: short stacking energy: -50.215
Base-Backbone interact. energy: -0.032
local terms energy: -73.660821
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -20.200
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -7.687
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: 205
Temperature: 1.250000
Total energy: -125.364528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.364528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.364528 (E_RNA)
where:
Base-Base interactions energy: -63.704
where: short stacking energy: -48.148
Base-Backbone interact. energy: -0.100
local terms energy: -61.560545
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -2.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -98.436699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.436699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.436699 (E_RNA)
where:
Base-Base interactions energy: -42.417
where: short stacking energy: -42.230
Base-Backbone interact. energy: -0.324
local terms energy: -55.695865
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -2.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -96.696481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.696481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.696481 (E_RNA)
where:
Base-Base interactions energy: -37.542
where: short stacking energy: -35.234
Base-Backbone interact. energy: -0.349
local terms energy: -58.804912
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: 2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -336.490728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.490728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.490728 (E_RNA)
where:
Base-Base interactions energy: -230.557
where: short stacking energy: -101.955
Base-Backbone interact. energy: -0.102
local terms energy: -105.831325
where:
bonds (distance) C4'-P energy: -20.465
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -23.639
flat angles P-C4'-P energy: -14.825
tors. eta vs tors. theta energy: -25.897
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: 7
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -323.833275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.833275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.833275 (E_RNA)
where:
Base-Base interactions energy: -219.864
where: short stacking energy: -95.724
Base-Backbone interact. energy: -0.478
local terms energy: -103.490770
where:
bonds (distance) C4'-P energy: -20.196
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -21.790
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -32.035
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: 206
Temperature: 1.000000
Total energy: -311.981325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.981325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.981325 (E_RNA)
where:
Base-Base interactions energy: -209.857
where: short stacking energy: -86.626
Base-Backbone interact. energy: -0.104
local terms energy: -102.020347
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -20.295
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -16.249
tors. eta vs tors. theta energy: -29.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -282.153025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.153025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.153025 (E_RNA)
where:
Base-Base interactions energy: -189.632
where: short stacking energy: -78.746
Base-Backbone interact. energy: -0.065
local terms energy: -92.455670
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -20.838
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: -19.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -205.530322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.530322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.530322 (E_RNA)
where:
Base-Base interactions energy: -123.132
where: short stacking energy: -56.538
Base-Backbone interact. energy: -0.088
local terms energy: -82.310591
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -24.100
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -12.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -190.774968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.774968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.774968 (E_RNA)
where:
Base-Base interactions energy: -104.853
where: short stacking energy: -59.041
Base-Backbone interact. energy: -0.102
local terms energy: -85.820034
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -20.724
flat angles C4'-P-C4' energy: -19.393
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -15.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -189.259587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.259587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.259587 (E_RNA)
where:
Base-Base interactions energy: -105.403
where: short stacking energy: -61.784
Base-Backbone interact. energy: -0.041
local terms energy: -83.815983
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -15.925
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: 8, replica: 4
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -111.570602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.570602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.570602 (E_RNA)
where:
Base-Base interactions energy: -40.856
where: short stacking energy: -16.548
Base-Backbone interact. energy: 0.592
local terms energy: -71.306629
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -14.184
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: 1
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -107.822915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.822915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.822915 (E_RNA)
where:
Base-Base interactions energy: -37.178
where: short stacking energy: -37.178
Base-Backbone interact. energy: -0.419
local terms energy: -70.226510
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -4.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -94.511879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.511879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.511879 (E_RNA)
where:
Base-Base interactions energy: -34.583
where: short stacking energy: -30.562
Base-Backbone interact. energy: -1.761
local terms energy: -58.167470
where:
bonds (distance) C4'-P energy: -20.318
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -17.887
tors. eta vs tors. theta energy: 6.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -330.957102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.957102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.957102 (E_RNA)
where:
Base-Base interactions energy: -226.611
where: short stacking energy: -99.287
Base-Backbone interact. energy: 0.693
local terms energy: -105.038761
where:
bonds (distance) C4'-P energy: -21.992
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -24.701
flat angles P-C4'-P energy: -15.495
tors. eta vs tors. theta energy: -30.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -322.952863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.952863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.952863 (E_RNA)
where:
Base-Base interactions energy: -223.798
where: short stacking energy: -96.317
Base-Backbone interact. energy: -0.054
local terms energy: -99.100848
where:
bonds (distance) C4'-P energy: -21.051
bonds (distance) P-C4' energy: -20.717
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -9.237
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: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -311.524025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.524025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.524025 (E_RNA)
where:
Base-Base interactions energy: -218.616
where: short stacking energy: -84.244
Base-Backbone interact. energy: -0.609
local terms energy: -92.298830
where:
bonds (distance) C4'-P energy: -18.027
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -22.062
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -20.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -295.372283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.372283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.372283 (E_RNA)
where:
Base-Base interactions energy: -199.215
where: short stacking energy: -86.400
Base-Backbone interact. energy: -0.345
local terms energy: -95.812725
where:
bonds (distance) C4'-P energy: -22.244
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -25.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -272.564170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.564170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.564170 (E_RNA)
where:
Base-Base interactions energy: -183.706
where: short stacking energy: -58.699
Base-Backbone interact. energy: -0.280
local terms energy: -88.577960
where:
bonds (distance) C4'-P energy: -20.423
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -16.392
tors. eta vs tors. theta energy: -14.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -178.059390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.059390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.059390 (E_RNA)
where:
Base-Base interactions energy: -98.910
where: short stacking energy: -56.677
Base-Backbone interact. energy: -0.011
local terms energy: -79.137953
where:
bonds (distance) C4'-P energy: -19.244
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -19.628
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -11.733
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: 207
Temperature: 1.200000
Total energy: -197.549976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.549976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.549976 (E_RNA)
where:
Base-Base interactions energy: -122.748
where: short stacking energy: -67.747
Base-Backbone interact. energy: -0.753
local terms energy: -74.049107
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -15.350
tors. eta vs tors. theta energy: -11.123
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: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -126.849035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.849035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.849035 (E_RNA)
where:
Base-Base interactions energy: -60.503
where: short stacking energy: -32.337
Base-Backbone interact. energy: -0.335
local terms energy: -66.011587
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -4.883
tors. eta vs tors. theta energy: -6.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -113.903480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.903480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.903480 (E_RNA)
where:
Base-Base interactions energy: -57.763
where: short stacking energy: -30.094
Base-Backbone interact. energy: 1.416
local terms energy: -57.556449
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -1.105
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: 8
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -108.116861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.116861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.116861 (E_RNA)
where:
Base-Base interactions energy: -38.064
where: short stacking energy: -37.859
Base-Backbone interact. energy: -0.076
local terms energy: -69.976681
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -9.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -329.046851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.046851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.046851 (E_RNA)
where:
Base-Base interactions energy: -226.172
where: short stacking energy: -99.481
Base-Backbone interact. energy: -0.442
local terms energy: -102.432653
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -22.513
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -25.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -317.097826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.097826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.097826 (E_RNA)
where:
Base-Base interactions energy: -214.613
where: short stacking energy: -86.475
Base-Backbone interact. energy: -0.414
local terms energy: -102.071500
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -21.646
flat angles P-C4'-P energy: -15.166
tors. eta vs tors. theta energy: -23.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -310.653053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.653053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.653053 (E_RNA)
where:
Base-Base interactions energy: -223.872
where: short stacking energy: -92.973
Base-Backbone interact. energy: -0.136
local terms energy: -86.645243
where:
bonds (distance) C4'-P energy: -18.374
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -23.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -276.639175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.639175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.639175 (E_RNA)
where:
Base-Base interactions energy: -188.321
where: short stacking energy: -76.826
Base-Backbone interact. energy: 0.501
local terms energy: -88.819175
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -21.868
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -19.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -256.545648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.545648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.545648 (E_RNA)
where:
Base-Base interactions energy: -178.021
where: short stacking energy: -68.092
Base-Backbone interact. energy: -0.781
local terms energy: -77.743192
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -21.593
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -12.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -194.413903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.413903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.413903 (E_RNA)
where:
Base-Base interactions energy: -104.443
where: short stacking energy: -60.934
Base-Backbone interact. energy: -0.166
local terms energy: -89.804913
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -17.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -225.151012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.151012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.151012 (E_RNA)
where:
Base-Base interactions energy: -130.358
where: short stacking energy: -71.216
Base-Backbone interact. energy: -0.287
local terms energy: -94.506385
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -20.802
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -23.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -124.967589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.967589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.967589 (E_RNA)
where:
Base-Base interactions energy: -41.613
where: short stacking energy: -33.334
Base-Backbone interact. energy: -0.068
local terms energy: -83.286534
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -21.215
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -8.134
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: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -110.637437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.637437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.637437 (E_RNA)
where:
Base-Base interactions energy: -38.766
where: short stacking energy: -38.766
Base-Backbone interact. energy: -0.130
local terms energy: -71.741441
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -20.251
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -9.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -101.791148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.791148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.791148 (E_RNA)
where:
Base-Base interactions energy: -40.844
where: short stacking energy: -38.647
Base-Backbone interact. energy: -0.276
local terms energy: -60.671296
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -9.357
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: 1, replica: 9
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -322.907958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.907958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.907958 (E_RNA)
where:
Base-Base interactions energy: -221.215
where: short stacking energy: -87.295
Base-Backbone interact. energy: -0.095
local terms energy: -101.597675
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -23.373
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -27.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -320.310208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.310208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.310208 (E_RNA)
where:
Base-Base interactions energy: -221.613
where: short stacking energy: -94.756
Base-Backbone interact. energy: -0.504
local terms energy: -98.193331
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -23.196
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -26.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -323.196280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.196280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.196280 (E_RNA)
where:
Base-Base interactions energy: -215.675
where: short stacking energy: -96.973
Base-Backbone interact. energy: -0.139
local terms energy: -107.382371
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -25.598
flat angles C4'-P-C4' energy: -22.554
flat angles P-C4'-P energy: -14.926
tors. eta vs tors. theta energy: -28.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -260.279239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.279239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.279239 (E_RNA)
where:
Base-Base interactions energy: -172.476
where: short stacking energy: -68.291
Base-Backbone interact. energy: -0.112
local terms energy: -87.691755
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -14.576
tors. eta vs tors. theta energy: -19.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -287.961271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.961271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.961271 (E_RNA)
where:
Base-Base interactions energy: -196.894
where: short stacking energy: -79.547
Base-Backbone interact. energy: 1.388
local terms energy: -92.455893
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -21.073
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -24.314
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: 209
Temperature: 1.150000
Total energy: -205.799683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.799683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.799683 (E_RNA)
where:
Base-Base interactions energy: -130.527
where: short stacking energy: -72.729
Base-Backbone interact. energy: -1.585
local terms energy: -73.688508
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -10.036
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -16.296
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: 3
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -183.406506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.406506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.406506 (E_RNA)
where:
Base-Base interactions energy: -98.600
where: short stacking energy: -60.603
Base-Backbone interact. energy: -0.018
local terms energy: -84.787985
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -20.963
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -13.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -136.932443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.932443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.932443 (E_RNA)
where:
Base-Base interactions energy: -76.473
where: short stacking energy: -22.941
Base-Backbone interact. energy: 0.613
local terms energy: -61.072456
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -20.300
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -1.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -99.071256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.071256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.071256 (E_RNA)
where:
Base-Base interactions energy: -38.125
where: short stacking energy: -29.410
Base-Backbone interact. energy: -0.206
local terms energy: -60.739690
where:
bonds (distance) C4'-P energy: -18.683
bonds (distance) P-C4' energy: -19.454
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -105.194515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.194515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.194515 (E_RNA)
where:
Base-Base interactions energy: -34.964
where: short stacking energy: -31.423
Base-Backbone interact. energy: 1.077
local terms energy: -71.307553
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -23.921
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -325.852780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.852780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.852780 (E_RNA)
where:
Base-Base interactions energy: -220.366
where: short stacking energy: -85.161
Base-Backbone interact. energy: -0.755
local terms energy: -104.731437
where:
bonds (distance) C4'-P energy: -22.119
bonds (distance) P-C4' energy: -20.518
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -18.611
tors. eta vs tors. theta energy: -25.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -328.211046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.211046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.211046 (E_RNA)
where:
Base-Base interactions energy: -223.550
where: short stacking energy: -97.201
Base-Backbone interact. energy: -0.087
local terms energy: -104.573326
where:
bonds (distance) C4'-P energy: -22.957
bonds (distance) P-C4' energy: -21.016
flat angles C4'-P-C4' energy: -20.254
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -26.058
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: 2
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -326.942869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.942869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.942869 (E_RNA)
where:
Base-Base interactions energy: -226.369
where: short stacking energy: -95.111
Base-Backbone interact. energy: -0.347
local terms energy: -100.226401
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -23.951
flat angles C4'-P-C4' energy: -21.075
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -26.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -258.660503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.660503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.660503 (E_RNA)
where:
Base-Base interactions energy: -163.483
where: short stacking energy: -63.807
Base-Backbone interact. energy: -0.053
local terms energy: -95.124495
where:
bonds (distance) C4'-P energy: -21.614
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -22.524
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -23.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -288.045002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.045002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.045002 (E_RNA)
where:
Base-Base interactions energy: -194.070
where: short stacking energy: -88.678
Base-Backbone interact. energy: -0.127
local terms energy: -93.847749
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -22.098
flat angles C4'-P-C4' energy: -22.089
flat angles P-C4'-P energy: -12.575
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: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -214.604166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.604166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.604166 (E_RNA)
where:
Base-Base interactions energy: -134.101
where: short stacking energy: -60.347
Base-Backbone interact. energy: 0.274
local terms energy: -80.777078
where:
bonds (distance) C4'-P energy: -21.281
bonds (distance) P-C4' energy: -20.650
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -14.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -185.024525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.024525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.024525 (E_RNA)
where:
Base-Base interactions energy: -110.168
where: short stacking energy: -60.311
Base-Backbone interact. energy: 0.726
local terms energy: -75.582948
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -11.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -123.492919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.492919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.492919 (E_RNA)
where:
Base-Base interactions energy: -47.737
where: short stacking energy: -42.578
Base-Backbone interact. energy: -0.224
local terms energy: -75.532128
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -10.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -100.458175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.458175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.458175 (E_RNA)
where:
Base-Base interactions energy: -38.903
where: short stacking energy: -38.328
Base-Backbone interact. energy: -0.360
local terms energy: -61.194923
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -12.161
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: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -103.014428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.014428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.014428 (E_RNA)
where:
Base-Base interactions energy: -35.758
where: short stacking energy: -19.559
Base-Backbone interact. energy: -0.211
local terms energy: -67.045270
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -22.236
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: 1.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -327.152787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.152787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.152787 (E_RNA)
where:
Base-Base interactions energy: -224.507
where: short stacking energy: -96.876
Base-Backbone interact. energy: -0.148
local terms energy: -102.497657
where:
bonds (distance) C4'-P energy: -21.246
bonds (distance) P-C4' energy: -24.409
flat angles C4'-P-C4' energy: -18.066
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -28.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -322.708694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.708694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.708694 (E_RNA)
where:
Base-Base interactions energy: -219.632
where: short stacking energy: -92.532
Base-Backbone interact. energy: -0.591
local terms energy: -102.485317
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -24.159
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -25.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -323.442946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.442946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.442946 (E_RNA)
where:
Base-Base interactions energy: -222.411
where: short stacking energy: -99.483
Base-Backbone interact. energy: -0.032
local terms energy: -101.000566
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -18.750
flat angles C4'-P-C4' energy: -25.545
flat angles P-C4'-P energy: -14.574
tors. eta vs tors. theta energy: -28.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -289.089285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.089285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.089285 (E_RNA)
where:
Base-Base interactions energy: -198.345
where: short stacking energy: -83.095
Base-Backbone interact. energy: -0.582
local terms energy: -90.162486
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -21.697
flat angles P-C4'-P energy: -15.778
tors. eta vs tors. theta energy: -19.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -253.962476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.962476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.962476 (E_RNA)
where:
Base-Base interactions energy: -162.305
where: short stacking energy: -70.760
Base-Backbone interact. energy: -0.121
local terms energy: -91.536806
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -22.832
flat angles C4'-P-C4' energy: -20.251
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -17.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -224.102866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.102866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.102866 (E_RNA)
where:
Base-Base interactions energy: -132.731
where: short stacking energy: -68.817
Base-Backbone interact. energy: -0.168
local terms energy: -91.204582
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -22.208
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -17.164
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: 7, replica: 3
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -171.214861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.214861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.214861 (E_RNA)
where:
Base-Base interactions energy: -93.128
where: short stacking energy: -52.258
Base-Backbone interact. energy: 0.284
local terms energy: -78.370752
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -22.710
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -8.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -122.094126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.094126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.094126 (E_RNA)
where:
Base-Base interactions energy: -50.059
where: short stacking energy: -46.349
Base-Backbone interact. energy: -0.090
local terms energy: -71.945603
where:
bonds (distance) C4'-P energy: -19.125
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -7.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -118.773875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.773875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.773875 (E_RNA)
where:
Base-Base interactions energy: -56.820
where: short stacking energy: -40.123
Base-Backbone interact. energy: -0.118
local terms energy: -61.835519
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -18.406
flat angles P-C4'-P energy: -7.127
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: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -127.130381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.130381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.130381 (E_RNA)
where:
Base-Base interactions energy: -72.650
where: short stacking energy: -37.078
Base-Backbone interact. energy: 2.315
local terms energy: -56.795499
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -18.903
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -3.618
tors. eta vs tors. theta energy: -9.872
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: 1, replica: 7
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -334.249887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.249887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.249887 (E_RNA)
where:
Base-Base interactions energy: -225.319
where: short stacking energy: -96.697
Base-Backbone interact. energy: 0.231
local terms energy: -109.161872
where:
bonds (distance) C4'-P energy: -21.417
bonds (distance) P-C4' energy: -20.992
flat angles C4'-P-C4' energy: -24.171
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -27.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -327.875308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.875308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.875308 (E_RNA)
where:
Base-Base interactions energy: -222.099
where: short stacking energy: -95.066
Base-Backbone interact. energy: -1.924
local terms energy: -103.852017
where:
bonds (distance) C4'-P energy: -20.484
bonds (distance) P-C4' energy: -22.312
flat angles C4'-P-C4' energy: -20.140
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -28.731
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: 3, replica: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -318.980154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.980154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.980154 (E_RNA)
where:
Base-Base interactions energy: -224.170
where: short stacking energy: -97.596
Base-Backbone interact. energy: -0.081
local terms energy: -94.728972
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -21.755
flat angles C4'-P-C4' energy: -20.658
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -25.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -294.749195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.749195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.749195 (E_RNA)
where:
Base-Base interactions energy: -194.457
where: short stacking energy: -81.327
Base-Backbone interact. energy: -0.231
local terms energy: -100.061249
where:
bonds (distance) C4'-P energy: -22.359
bonds (distance) P-C4' energy: -20.523
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -21.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -257.960976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.960976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.960976 (E_RNA)
where:
Base-Base interactions energy: -169.366
where: short stacking energy: -79.908
Base-Backbone interact. energy: -0.079
local terms energy: -88.515366
where:
bonds (distance) C4'-P energy: -18.394
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -21.029
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -20.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -211.239421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.239421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.239421 (E_RNA)
where:
Base-Base interactions energy: -118.320
where: short stacking energy: -77.918
Base-Backbone interact. energy: -0.140
local terms energy: -92.779610
where:
bonds (distance) C4'-P energy: -20.737
bonds (distance) P-C4' energy: -21.122
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -21.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -117.952125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.952125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.952125 (E_RNA)
where:
Base-Base interactions energy: -58.955
where: short stacking energy: -27.383
Base-Backbone interact. energy: -0.831
local terms energy: -58.166511
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -19.385
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: 0.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -104.725375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.725375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.725375 (E_RNA)
where:
Base-Base interactions energy: -46.120
where: short stacking energy: -40.386
Base-Backbone interact. energy: -0.231
local terms energy: -58.374597
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -0.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -140.720673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.720673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.720673 (E_RNA)
where:
Base-Base interactions energy: -79.966
where: short stacking energy: -43.270
Base-Backbone interact. energy: -0.228
local terms energy: -60.526017
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: -6.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -113.074208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.074208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.074208 (E_RNA)
where:
Base-Base interactions energy: -56.089
where: short stacking energy: -35.995
Base-Backbone interact. energy: -0.218
local terms energy: -56.766860
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -1.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -329.523959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.523959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.523959 (E_RNA)
where:
Base-Base interactions energy: -227.615
where: short stacking energy: -90.313
Base-Backbone interact. energy: -0.287
local terms energy: -101.621552
where:
bonds (distance) C4'-P energy: -23.581
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -16.169
tors. eta vs tors. theta energy: -23.288
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: 213
Temperature: 0.950000
Total energy: -314.485813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.485813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.485813 (E_RNA)
where:
Base-Base interactions energy: -212.925
where: short stacking energy: -91.939
Base-Backbone interact. energy: -0.457
local terms energy: -101.103640
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -22.904
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -24.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -310.002825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.002825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.002825 (E_RNA)
where:
Base-Base interactions energy: -209.453
where: short stacking energy: -93.274
Base-Backbone interact. energy: -0.198
local terms energy: -100.351989
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -22.494
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -26.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -277.411001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.411001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.411001 (E_RNA)
where:
Base-Base interactions energy: -194.825
where: short stacking energy: -85.668
Base-Backbone interact. energy: 1.352
local terms energy: -83.937433
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -18.900
flat angles C4'-P-C4' energy: -19.085
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -19.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -272.295265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.295265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.295265 (E_RNA)
where:
Base-Base interactions energy: -185.873
where: short stacking energy: -62.321
Base-Backbone interact. energy: -0.641
local terms energy: -85.781716
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -21.326
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -20.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -197.514623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.514623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.514623 (E_RNA)
where:
Base-Base interactions energy: -112.033
where: short stacking energy: -57.659
Base-Backbone interact. energy: 0.759
local terms energy: -86.241368
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -23.877
flat angles C4'-P-C4' energy: -19.452
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -10.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -123.288695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.288695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.288695 (E_RNA)
where:
Base-Base interactions energy: -53.977
where: short stacking energy: -47.362
Base-Backbone interact. energy: -0.220
local terms energy: -69.092268
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -15.372
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -6.196
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: 8, replica: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -128.181384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.181384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.181384 (E_RNA)
where:
Base-Base interactions energy: -51.788
where: short stacking energy: -51.406
Base-Backbone interact. energy: -0.063
local terms energy: -76.330415
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -22.302
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -13.687
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: 4
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -100.717466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.717466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.717466 (E_RNA)
where:
Base-Base interactions energy: -40.449
where: short stacking energy: -36.201
Base-Backbone interact. energy: -0.124
local terms energy: -60.143686
where:
bonds (distance) C4'-P energy: -10.035
bonds (distance) P-C4' energy: -20.579
flat angles C4'-P-C4' energy: -19.241
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -0.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -104.960818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.960818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.960818 (E_RNA)
where:
Base-Base interactions energy: -40.007
where: short stacking energy: -42.011
Base-Backbone interact. energy: 0.194
local terms energy: -65.147948
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -12.991
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: 1, replica: 7
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -327.628949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.628949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.628949 (E_RNA)
where:
Base-Base interactions energy: -228.597
where: short stacking energy: -94.489
Base-Backbone interact. energy: -0.511
local terms energy: -98.521682
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -22.010
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -23.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -328.022167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.022167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.022167 (E_RNA)
where:
Base-Base interactions energy: -223.009
where: short stacking energy: -95.122
Base-Backbone interact. energy: -0.442
local terms energy: -104.571821
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -19.953
flat angles P-C4'-P energy: -15.309
tors. eta vs tors. theta energy: -30.558
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: 3, replica: 2
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -320.408212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.408212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.408212 (E_RNA)
where:
Base-Base interactions energy: -224.991
where: short stacking energy: -102.791
Base-Backbone interact. energy: -0.144
local terms energy: -95.273563
where:
bonds (distance) C4'-P energy: -20.266
bonds (distance) P-C4' energy: -20.366
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -24.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -259.612798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.612798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.612798 (E_RNA)
where:
Base-Base interactions energy: -170.516
where: short stacking energy: -77.470
Base-Backbone interact. energy: -0.294
local terms energy: -88.802952
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -19.841
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -20.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -258.692127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.692127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.692127 (E_RNA)
where:
Base-Base interactions energy: -181.974
where: short stacking energy: -71.688
Base-Backbone interact. energy: -0.313
local terms energy: -76.404770
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -9.743
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -17.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -201.120169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.120169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.120169 (E_RNA)
where:
Base-Base interactions energy: -112.248
where: short stacking energy: -64.612
Base-Backbone interact. energy: -0.268
local terms energy: -88.604541
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -22.553
flat angles C4'-P-C4' energy: -20.809
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -15.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -138.559784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.559784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.559784 (E_RNA)
where:
Base-Base interactions energy: -69.013
where: short stacking energy: -44.963
Base-Backbone interact. energy: -0.306
local terms energy: -69.241312
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -20.368
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -6.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -117.452623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.452623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.452623 (E_RNA)
where:
Base-Base interactions energy: -62.724
where: short stacking energy: -35.277
Base-Backbone interact. energy: -1.027
local terms energy: -53.701986
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -2.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -100.337407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.337407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.337407 (E_RNA)
where:
Base-Base interactions energy: -40.154
where: short stacking energy: -39.414
Base-Backbone interact. energy: -0.269
local terms energy: -59.914232
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -19.270
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -8.468
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: 10, replica: 4
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -99.598900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.598900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.598900 (E_RNA)
where:
Base-Base interactions energy: -39.743
where: short stacking energy: -31.880
Base-Backbone interact. energy: -0.924
local terms energy: -58.931896
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -20.726
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -4.521
tors. eta vs tors. theta energy: -0.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -333.600159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.600159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.600159 (E_RNA)
where:
Base-Base interactions energy: -228.267
where: short stacking energy: -102.605
Base-Backbone interact. energy: -0.160
local terms energy: -105.173613
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -17.728
tors. eta vs tors. theta energy: -28.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -325.835070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.835070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.835070 (E_RNA)
where:
Base-Base interactions energy: -214.899
where: short stacking energy: -89.540
Base-Backbone interact. energy: -0.573
local terms energy: -110.362969
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -22.804
flat angles C4'-P-C4' energy: -19.322
flat angles P-C4'-P energy: -18.284
tors. eta vs tors. theta energy: -28.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -326.165424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.165424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.165424 (E_RNA)
where:
Base-Base interactions energy: -221.882
where: short stacking energy: -97.427
Base-Backbone interact. energy: -0.341
local terms energy: -103.942244
where:
bonds (distance) C4'-P energy: -20.335
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -23.261
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -27.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -265.500722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.500722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.500722 (E_RNA)
where:
Base-Base interactions energy: -185.774
where: short stacking energy: -82.325
Base-Backbone interact. energy: 0.600
local terms energy: -80.325938
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -21.396
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -24.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -246.837440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.837440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.837440 (E_RNA)
where:
Base-Base interactions energy: -174.853
where: short stacking energy: -64.274
Base-Backbone interact. energy: -0.188
local terms energy: -71.796492
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -14.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -197.379750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.379750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.379750 (E_RNA)
where:
Base-Base interactions energy: -111.636
where: short stacking energy: -62.897
Base-Backbone interact. energy: 0.065
local terms energy: -85.807921
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -19.107
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -15.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -115.908143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.908143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.908143 (E_RNA)
where:
Base-Base interactions energy: -48.896
where: short stacking energy: -38.309
Base-Backbone interact. energy: -0.265
local terms energy: -66.746906
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -20.746
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -4.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -109.077863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.077863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.077863 (E_RNA)
where:
Base-Base interactions energy: -38.349
where: short stacking energy: -37.529
Base-Backbone interact. energy: -0.148
local terms energy: -70.581018
where:
bonds (distance) C4'-P energy: -18.113
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -7.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -123.554574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.554574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.554574 (E_RNA)
where:
Base-Base interactions energy: -68.368
where: short stacking energy: -31.423
Base-Backbone interact. energy: 0.328
local terms energy: -55.514706
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -3.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -100.044277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.044277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.044277 (E_RNA)
where:
Base-Base interactions energy: -36.728
where: short stacking energy: -36.089
Base-Backbone interact. energy: 2.345
local terms energy: -65.660947
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -5.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -325.836829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.836829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.836829 (E_RNA)
where:
Base-Base interactions energy: -223.052
where: short stacking energy: -96.126
Base-Backbone interact. energy: -0.132
local terms energy: -102.652819
where:
bonds (distance) C4'-P energy: -21.690
bonds (distance) P-C4' energy: -19.401
flat angles C4'-P-C4' energy: -21.847
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: -25.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -323.068056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.068056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.068056 (E_RNA)
where:
Base-Base interactions energy: -233.118
where: short stacking energy: -84.914
Base-Backbone interact. energy: -1.177
local terms energy: -88.772404
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -20.871
flat angles P-C4'-P energy: -9.512
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: 3, replica: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -321.165261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.165261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.165261 (E_RNA)
where:
Base-Base interactions energy: -221.747
where: short stacking energy: -92.200
Base-Backbone interact. energy: -1.562
local terms energy: -97.855674
where:
bonds (distance) C4'-P energy: -18.592
bonds (distance) P-C4' energy: -17.567
flat angles C4'-P-C4' energy: -23.467
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -25.406
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: 4, replica: 6
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -270.857392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.857392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.857392 (E_RNA)
where:
Base-Base interactions energy: -179.408
where: short stacking energy: -87.146
Base-Backbone interact. energy: -0.400
local terms energy: -91.049527
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -19.405
flat angles C4'-P-C4' energy: -21.452
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -23.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -236.194052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.194052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.194052 (E_RNA)
where:
Base-Base interactions energy: -156.728
where: short stacking energy: -64.182
Base-Backbone interact. energy: -0.220
local terms energy: -79.246314
where:
bonds (distance) C4'-P energy: -17.823
bonds (distance) P-C4' energy: -22.623
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -13.065
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: 216
Temperature: 1.150000
Total energy: -197.946568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.946568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.946568 (E_RNA)
where:
Base-Base interactions energy: -111.687
where: short stacking energy: -60.739
Base-Backbone interact. energy: 0.004
local terms energy: -86.263210
where:
bonds (distance) C4'-P energy: -21.159
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -20.387
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -13.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -126.231464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.231464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.231464 (E_RNA)
where:
Base-Base interactions energy: -56.583
where: short stacking energy: -48.898
Base-Backbone interact. energy: -0.010
local terms energy: -69.638354
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -21.491
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -6.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -127.163415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.163415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.163415 (E_RNA)
where:
Base-Base interactions energy: -58.103
where: short stacking energy: -47.420
Base-Backbone interact. energy: -0.436
local terms energy: -68.624366
where:
bonds (distance) C4'-P energy: -19.252
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -119.225979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.225979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.225979 (E_RNA)
where:
Base-Base interactions energy: -51.442
where: short stacking energy: -46.774
Base-Backbone interact. energy: 0.248
local terms energy: -68.031949
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -5.597
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: 10, replica: 8
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -101.056470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.056470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.056470 (E_RNA)
where:
Base-Base interactions energy: -46.024
where: short stacking energy: -15.297
Base-Backbone interact. energy: 0.742
local terms energy: -55.774885
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -7.996
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -1.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -328.831659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.831659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.831659 (E_RNA)
where:
Base-Base interactions energy: -225.844
where: short stacking energy: -92.970
Base-Backbone interact. energy: -0.118
local terms energy: -102.870290
where:
bonds (distance) C4'-P energy: -20.910
bonds (distance) P-C4' energy: -20.425
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -16.820
tors. eta vs tors. theta energy: -24.391
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: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -330.280658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.280658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.280658 (E_RNA)
where:
Base-Base interactions energy: -224.835
where: short stacking energy: -97.384
Base-Backbone interact. energy: -1.273
local terms energy: -104.172463
where:
bonds (distance) C4'-P energy: -22.009
bonds (distance) P-C4' energy: -21.892
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -17.814
tors. eta vs tors. theta energy: -28.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -314.068365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.068365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.068365 (E_RNA)
where:
Base-Base interactions energy: -211.351
where: short stacking energy: -93.346
Base-Backbone interact. energy: -0.223
local terms energy: -102.493522
where:
bonds (distance) C4'-P energy: -19.761
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -21.859
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -26.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -286.867229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.867229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.867229 (E_RNA)
where:
Base-Base interactions energy: -199.357
where: short stacking energy: -87.354
Base-Backbone interact. energy: -0.093
local terms energy: -87.416997
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -23.859
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -22.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -272.155603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.155603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.155603 (E_RNA)
where:
Base-Base interactions energy: -179.941
where: short stacking energy: -75.949
Base-Backbone interact. energy: -0.058
local terms energy: -92.157177
where:
bonds (distance) C4'-P energy: -21.743
bonds (distance) P-C4' energy: -21.110
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -19.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -206.501994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.501994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.501994 (E_RNA)
where:
Base-Base interactions energy: -117.411
where: short stacking energy: -72.440
Base-Backbone interact. energy: 0.252
local terms energy: -89.342692
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -21.093
flat angles C4'-P-C4' energy: -18.863
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -20.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -122.971893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.971893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.971893 (E_RNA)
where:
Base-Base interactions energy: -60.600
where: short stacking energy: -38.924
Base-Backbone interact. energy: -0.087
local terms energy: -62.285241
where:
bonds (distance) C4'-P energy: -18.391
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -9.380
flat angles P-C4'-P energy: -3.230
tors. eta vs tors. theta energy: -11.707
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: 4
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -114.284779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.284779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.284779 (E_RNA)
where:
Base-Base interactions energy: -50.688
where: short stacking energy: -30.123
Base-Backbone interact. energy: 0.218
local terms energy: -63.815441
where:
bonds (distance) C4'-P energy: -18.904
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -0.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -101.912992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.912992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.912992 (E_RNA)
where:
Base-Base interactions energy: -39.603
where: short stacking energy: -37.546
Base-Backbone interact. energy: -0.519
local terms energy: -61.791723
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -11.484
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: 10, replica: 8
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -98.436424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.436424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.436424 (E_RNA)
where:
Base-Base interactions energy: -38.796
where: short stacking energy: -26.568
Base-Backbone interact. energy: -0.395
local terms energy: -59.246013
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -18.264
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: 0.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -323.508086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.508086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.508086 (E_RNA)
where:
Base-Base interactions energy: -218.575
where: short stacking energy: -92.643
Base-Backbone interact. energy: -0.158
local terms energy: -104.775279
where:
bonds (distance) C4'-P energy: -22.857
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -22.543
flat angles P-C4'-P energy: -15.536
tors. eta vs tors. theta energy: -23.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -327.832058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.832058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.832058 (E_RNA)
where:
Base-Base interactions energy: -227.685
where: short stacking energy: -98.955
Base-Backbone interact. energy: 0.347
local terms energy: -100.494438
where:
bonds (distance) C4'-P energy: -19.767
bonds (distance) P-C4' energy: -19.600
flat angles C4'-P-C4' energy: -21.638
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -27.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -320.477193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.477193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.477193 (E_RNA)
where:
Base-Base interactions energy: -218.416
where: short stacking energy: -95.780
Base-Backbone interact. energy: -0.455
local terms energy: -101.605823
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -23.993
flat angles C4'-P-C4' energy: -22.077
flat angles P-C4'-P energy: -16.175
tors. eta vs tors. theta energy: -26.452
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: 10
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -276.451369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.451369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.451369 (E_RNA)
where:
Base-Base interactions energy: -194.980
where: short stacking energy: -89.408
Base-Backbone interact. energy: -0.148
local terms energy: -81.323363
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -21.254
flat angles P-C4'-P energy: -5.100
tors. eta vs tors. theta energy: -20.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -261.198438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.198438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.198438 (E_RNA)
where:
Base-Base interactions energy: -165.587
where: short stacking energy: -77.390
Base-Backbone interact. energy: 0.157
local terms energy: -95.768679
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -22.350
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -20.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -191.510211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.510211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.510211 (E_RNA)
where:
Base-Base interactions energy: -103.519
where: short stacking energy: -61.097
Base-Backbone interact. energy: -0.270
local terms energy: -87.721145
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -22.823
flat angles P-C4'-P energy: -15.074
tors. eta vs tors. theta energy: -12.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -127.873508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.873508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.873508 (E_RNA)
where:
Base-Base interactions energy: -57.833
where: short stacking energy: -43.766
Base-Backbone interact. energy: 2.261
local terms energy: -72.301795
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -6.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -110.760205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.760205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.760205 (E_RNA)
where:
Base-Base interactions energy: -41.273
where: short stacking energy: -33.941
Base-Backbone interact. energy: -0.383
local terms energy: -69.104482
where:
bonds (distance) C4'-P energy: -19.070
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -115.216108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.216108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.216108 (E_RNA)
where:
Base-Base interactions energy: -59.240
where: short stacking energy: -47.937
Base-Backbone interact. energy: 0.798
local terms energy: -56.773802
where:
bonds (distance) C4'-P energy: -7.141
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -3.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -103.326908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.326908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.326908 (E_RNA)
where:
Base-Base interactions energy: -38.380
where: short stacking energy: -29.266
Base-Backbone interact. energy: -0.325
local terms energy: -64.622290
where:
bonds (distance) C4'-P energy: -20.472
bonds (distance) P-C4' energy: -19.107
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: 1.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -335.501840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.501840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.501840 (E_RNA)
where:
Base-Base interactions energy: -229.192
where: short stacking energy: -99.866
Base-Backbone interact. energy: -0.822
local terms energy: -105.488405
where:
bonds (distance) C4'-P energy: -22.177
bonds (distance) P-C4' energy: -22.806
flat angles C4'-P-C4' energy: -19.871
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -26.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -336.932735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.932735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.932735 (E_RNA)
where:
Base-Base interactions energy: -231.587
where: short stacking energy: -97.629
Base-Backbone interact. energy: 0.321
local terms energy: -105.666562
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -23.039
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -15.189
tors. eta vs tors. theta energy: -27.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -310.049710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.049710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.049710 (E_RNA)
where:
Base-Base interactions energy: -208.177
where: short stacking energy: -86.817
Base-Backbone interact. energy: -0.561
local terms energy: -101.311748
where:
bonds (distance) C4'-P energy: -19.454
bonds (distance) P-C4' energy: -22.496
flat angles C4'-P-C4' energy: -19.226
flat angles P-C4'-P energy: -15.066
tors. eta vs tors. theta energy: -25.070
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: 219
Temperature: 1.050000
Total energy: -278.520953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.520953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.520953 (E_RNA)
where:
Base-Base interactions energy: -192.195
where: short stacking energy: -87.365
Base-Backbone interact. energy: 0.298
local terms energy: -86.624000
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -21.254
flat angles C4'-P-C4' energy: -19.924
flat angles P-C4'-P energy: -6.361
tors. eta vs tors. theta energy: -22.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -237.178705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.178705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.178705 (E_RNA)
where:
Base-Base interactions energy: -152.909
where: short stacking energy: -68.938
Base-Backbone interact. energy: -0.162
local terms energy: -84.107316
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -21.246
flat angles C4'-P-C4' energy: -22.117
flat angles P-C4'-P energy: -17.634
tors. eta vs tors. theta energy: -11.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -208.279417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.279417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.279417 (E_RNA)
where:
Base-Base interactions energy: -120.515
where: short stacking energy: -69.195
Base-Backbone interact. energy: -0.289
local terms energy: -87.475150
where:
bonds (distance) C4'-P energy: -18.919
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -9.240
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: 7, replica: 3
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -117.618975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.618975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.618975 (E_RNA)
where:
Base-Base interactions energy: -51.247
where: short stacking energy: -40.752
Base-Backbone interact. energy: -0.306
local terms energy: -66.065304
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -21.302
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: 0.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -153.749904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.749904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.749904 (E_RNA)
where:
Base-Base interactions energy: -89.139
where: short stacking energy: -56.858
Base-Backbone interact. energy: -0.479
local terms energy: -64.132129
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -11.530
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: 9, replica: 4
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -99.871042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.871042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.871042 (E_RNA)
where:
Base-Base interactions energy: -52.237
where: short stacking energy: -29.370
Base-Backbone interact. energy: -0.372
local terms energy: -47.261270
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -8.897
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: 10, replica: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -107.449048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.449048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.449048 (E_RNA)
where:
Base-Base interactions energy: -37.979
where: short stacking energy: -38.797
Base-Backbone interact. energy: 1.869
local terms energy: -71.338361
where:
bonds (distance) C4'-P energy: -18.457
bonds (distance) P-C4' energy: -18.564
flat angles C4'-P-C4' energy: -21.166
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -2.595
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: 7
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -332.255143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.255143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.255143 (E_RNA)
where:
Base-Base interactions energy: -228.479
where: short stacking energy: -98.277
Base-Backbone interact. energy: 0.232
local terms energy: -104.008122
where:
bonds (distance) C4'-P energy: -20.136
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -22.598
flat angles P-C4'-P energy: -16.967
tors. eta vs tors. theta energy: -28.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -337.292552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.292552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.292552 (E_RNA)
where:
Base-Base interactions energy: -228.428
where: short stacking energy: -110.324
Base-Backbone interact. energy: -0.383
local terms energy: -108.481478
where:
bonds (distance) C4'-P energy: -19.549
bonds (distance) P-C4' energy: -19.958
flat angles C4'-P-C4' energy: -21.783
flat angles P-C4'-P energy: -19.920
tors. eta vs tors. theta energy: -27.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -277.471545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.471545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.471545 (E_RNA)
where:
Base-Base interactions energy: -178.121
where: short stacking energy: -80.972
Base-Backbone interact. energy: -0.756
local terms energy: -98.595173
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -19.540
flat angles C4'-P-C4' energy: -22.080
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -21.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -308.949274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.949274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.949274 (E_RNA)
where:
Base-Base interactions energy: -210.403
where: short stacking energy: -91.612
Base-Backbone interact. energy: 1.927
local terms energy: -100.472873
where:
bonds (distance) C4'-P energy: -22.013
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -17.879
tors. eta vs tors. theta energy: -25.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -208.200085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.200085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.200085 (E_RNA)
where:
Base-Base interactions energy: -119.919
where: short stacking energy: -73.664
Base-Backbone interact. energy: -0.178
local terms energy: -88.102769
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -13.324
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: 6, replica: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -224.598761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.598761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.598761 (E_RNA)
where:
Base-Base interactions energy: -136.420
where: short stacking energy: -69.790
Base-Backbone interact. energy: -0.028
local terms energy: -88.151488
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -13.901
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: 7, replica: 1
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -165.641023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.641023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.641023 (E_RNA)
where:
Base-Base interactions energy: -99.198
where: short stacking energy: -46.869
Base-Backbone interact. energy: -0.197
local terms energy: -66.246330
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -19.042
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -6.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -107.481707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.481707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.481707 (E_RNA)
where:
Base-Base interactions energy: -41.993
where: short stacking energy: -41.468
Base-Backbone interact. energy: -0.377
local terms energy: -65.111988
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -4.971
tors. eta vs tors. theta energy: -4.261
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: 8
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -100.168571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.168571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.168571 (E_RNA)
where:
Base-Base interactions energy: -26.001
where: short stacking energy: -19.951
Base-Backbone interact. energy: -0.689
local terms energy: -73.478809
where:
bonds (distance) C4'-P energy: -18.664
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -3.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -103.434767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.434767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.434767 (E_RNA)
where:
Base-Base interactions energy: -41.858
where: short stacking energy: -34.778
Base-Backbone interact. energy: -0.250
local terms energy: -61.326957
where:
bonds (distance) C4'-P energy: -19.135
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: 2.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -326.134737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.134737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.134737 (E_RNA)
where:
Base-Base interactions energy: -221.738
where: short stacking energy: -98.664
Base-Backbone interact. energy: -0.534
local terms energy: -103.862392
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -23.838
flat angles C4'-P-C4' energy: -21.290
flat angles P-C4'-P energy: -16.461
tors. eta vs tors. theta energy: -26.589
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: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -319.916189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.916189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.916189 (E_RNA)
where:
Base-Base interactions energy: -220.812
where: short stacking energy: -100.287
Base-Backbone interact. energy: -0.183
local terms energy: -98.922020
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -22.883
flat angles C4'-P-C4' energy: -20.816
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -27.403
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: 10
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -282.844389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.844389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.844389 (E_RNA)
where:
Base-Base interactions energy: -190.782
where: short stacking energy: -86.408
Base-Backbone interact. energy: -1.074
local terms energy: -90.988836
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -24.384
flat angles P-C4'-P energy: -11.044
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: 4, replica: 9
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -306.112759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.112759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.112759 (E_RNA)
where:
Base-Base interactions energy: -211.248
where: short stacking energy: -84.320
Base-Backbone interact. energy: -0.678
local terms energy: -94.186340
where:
bonds (distance) C4'-P energy: -19.849
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -22.300
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: 221
Temperature: 1.100000
Total energy: -197.678193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.678193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.678193 (E_RNA)
where:
Base-Base interactions energy: -114.446
where: short stacking energy: -54.823
Base-Backbone interact. energy: 2.130
local terms energy: -85.362372
where:
bonds (distance) C4'-P energy: -20.066
bonds (distance) P-C4' energy: -18.556
flat angles C4'-P-C4' energy: -22.705
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -10.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -209.075364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.075364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.075364 (E_RNA)
where:
Base-Base interactions energy: -130.136
where: short stacking energy: -62.990
Base-Backbone interact. energy: -0.887
local terms energy: -78.051980
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -19.309
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -17.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -160.059252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.059252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.059252 (E_RNA)
where:
Base-Base interactions energy: -84.075
where: short stacking energy: -44.141
Base-Backbone interact. energy: -0.346
local terms energy: -75.637888
where:
bonds (distance) C4'-P energy: -21.296
bonds (distance) P-C4' energy: -23.065
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -6.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -156.755904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.755904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.755904 (E_RNA)
where:
Base-Base interactions energy: -82.890
where: short stacking energy: -42.834
Base-Backbone interact. energy: -2.762
local terms energy: -71.103400
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -19.732
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -6.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -127.008192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.008192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.008192 (E_RNA)
where:
Base-Base interactions energy: -65.002
where: short stacking energy: -32.103
Base-Backbone interact. energy: 1.356
local terms energy: -63.361963
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -5.124
tors. eta vs tors. theta energy: -6.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -101.192054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.192054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.192054 (E_RNA)
where:
Base-Base interactions energy: -38.520
where: short stacking energy: -33.461
Base-Backbone interact. energy: -0.339
local terms energy: -62.333722
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -22.113
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: 0.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -329.391075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.391075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.391075 (E_RNA)
where:
Base-Base interactions energy: -228.493
where: short stacking energy: -102.219
Base-Backbone interact. energy: -0.164
local terms energy: -100.734389
where:
bonds (distance) C4'-P energy: -19.405
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -23.914
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -27.822
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: 2, replica: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -323.202353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.202353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.202353 (E_RNA)
where:
Base-Base interactions energy: -220.744
where: short stacking energy: -95.023
Base-Backbone interact. energy: -0.354
local terms energy: -102.105093
where:
bonds (distance) C4'-P energy: -22.251
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -23.976
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -23.883
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: 3, replica: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -298.451522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.451522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.451522 (E_RNA)
where:
Base-Base interactions energy: -206.666
where: short stacking energy: -76.885
Base-Backbone interact. energy: -0.509
local terms energy: -91.276386
where:
bonds (distance) C4'-P energy: -18.283
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -23.642
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: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -260.801514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.801514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.801514 (E_RNA)
where:
Base-Base interactions energy: -172.124
where: short stacking energy: -60.312
Base-Backbone interact. energy: -0.496
local terms energy: -88.181450
where:
bonds (distance) C4'-P energy: -18.750
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -19.421
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -16.253
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: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -224.069649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.069649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.069649 (E_RNA)
where:
Base-Base interactions energy: -131.287
where: short stacking energy: -80.658
Base-Backbone interact. energy: -0.263
local terms energy: -92.519641
where:
bonds (distance) C4'-P energy: -20.579
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -21.417
flat angles P-C4'-P energy: -13.387
tors. eta vs tors. theta energy: -19.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -228.847180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.847180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.847180 (E_RNA)
where:
Base-Base interactions energy: -139.866
where: short stacking energy: -75.638
Base-Backbone interact. energy: -0.088
local terms energy: -88.894011
where:
bonds (distance) C4'-P energy: -19.328
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -23.171
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -20.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -126.683091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.683091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.683091 (E_RNA)
where:
Base-Base interactions energy: -53.884
where: short stacking energy: -45.265
Base-Backbone interact. energy: 2.510
local terms energy: -75.309165
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -7.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -164.327755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.327755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.327755 (E_RNA)
where:
Base-Base interactions energy: -101.422
where: short stacking energy: -43.139
Base-Backbone interact. energy: 1.416
local terms energy: -64.322273
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -12.684
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: 9, replica: 4
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -128.359398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.359398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.359398 (E_RNA)
where:
Base-Base interactions energy: -64.036
where: short stacking energy: -38.467
Base-Backbone interact. energy: -0.285
local terms energy: -64.038672
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -0.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -100.769984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.769984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.769984 (E_RNA)
where:
Base-Base interactions energy: -36.800
where: short stacking energy: -29.799
Base-Backbone interact. energy: -0.212
local terms energy: -63.757594
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -329.746138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.746138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.746138 (E_RNA)
where:
Base-Base interactions energy: -221.967
where: short stacking energy: -99.298
Base-Backbone interact. energy: 0.071
local terms energy: -107.850250
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -29.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -315.589688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.589688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.589688 (E_RNA)
where:
Base-Base interactions energy: -215.339
where: short stacking energy: -92.437
Base-Backbone interact. energy: -0.332
local terms energy: -99.919118
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -20.244
flat angles C4'-P-C4' energy: -22.149
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: -23.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -295.721501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.721501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.721501 (E_RNA)
where:
Base-Base interactions energy: -198.273
where: short stacking energy: -91.868
Base-Backbone interact. energy: -0.144
local terms energy: -97.303989
where:
bonds (distance) C4'-P energy: -19.719
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -24.170
flat angles P-C4'-P energy: -16.888
tors. eta vs tors. theta energy: -22.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -279.505649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.505649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.505649 (E_RNA)
where:
Base-Base interactions energy: -195.793
where: short stacking energy: -73.441
Base-Backbone interact. energy: 0.100
local terms energy: -83.813053
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -18.538
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: 5
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -203.903807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.903807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.903807 (E_RNA)
where:
Base-Base interactions energy: -120.161
where: short stacking energy: -75.274
Base-Backbone interact. energy: -0.094
local terms energy: -83.648936
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -17.472
tors. eta vs tors. theta energy: -16.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -210.681402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.681402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.681402 (E_RNA)
where:
Base-Base interactions energy: -120.252
where: short stacking energy: -63.432
Base-Backbone interact. energy: -0.217
local terms energy: -90.212459
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -16.131
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: 7, replica: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -131.870380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.870380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.870380 (E_RNA)
where:
Base-Base interactions energy: -66.139
where: short stacking energy: -34.369
Base-Backbone interact. energy: -0.024
local terms energy: -65.707171
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -5.442
tors. eta vs tors. theta energy: -4.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -114.906707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.906707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.906707 (E_RNA)
where:
Base-Base interactions energy: -49.050
where: short stacking energy: -47.761
Base-Backbone interact. energy: -1.268
local terms energy: -64.589018
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -8.423
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: 1
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -146.043634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.043634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.043634 (E_RNA)
where:
Base-Base interactions energy: -80.946
where: short stacking energy: -36.026
Base-Backbone interact. energy: 0.498
local terms energy: -65.596024
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -22.812
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -8.858
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: 10, replica: 3
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -101.593919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.593919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.593919 (E_RNA)
where:
Base-Base interactions energy: -31.810
where: short stacking energy: -30.384
Base-Backbone interact. energy: -0.086
local terms energy: -69.697864
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -19.075
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -4.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -327.594899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.594899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.594899 (E_RNA)
where:
Base-Base interactions energy: -217.481
where: short stacking energy: -87.667
Base-Backbone interact. energy: -0.428
local terms energy: -109.685547
where:
bonds (distance) C4'-P energy: -21.490
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -18.204
tors. eta vs tors. theta energy: -29.319
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: 224
Temperature: 0.950000
Total energy: -330.307300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.307300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.307300 (E_RNA)
where:
Base-Base interactions energy: -223.407
where: short stacking energy: -89.902
Base-Backbone interact. energy: -0.235
local terms energy: -106.664715
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -23.452
flat angles C4'-P-C4' energy: -22.672
flat angles P-C4'-P energy: -17.452
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: 3, replica: 10
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -283.617499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.617499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.617499 (E_RNA)
where:
Base-Base interactions energy: -182.868
where: short stacking energy: -79.165
Base-Backbone interact. energy: -2.905
local terms energy: -97.844757
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -22.874
flat angles C4'-P-C4' energy: -22.268
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -24.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -286.338006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.338006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.338006 (E_RNA)
where:
Base-Base interactions energy: -191.611
where: short stacking energy: -80.492
Base-Backbone interact. energy: -1.012
local terms energy: -93.714654
where:
bonds (distance) C4'-P energy: -23.942
bonds (distance) P-C4' energy: -21.108
flat angles C4'-P-C4' energy: -21.319
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -233.595769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.595769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.595769 (E_RNA)
where:
Base-Base interactions energy: -141.370
where: short stacking energy: -77.227
Base-Backbone interact. energy: 0.639
local terms energy: -92.864715
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -19.838
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -23.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -196.764090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.764090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.764090 (E_RNA)
where:
Base-Base interactions energy: -118.164
where: short stacking energy: -67.983
Base-Backbone interact. energy: -1.450
local terms energy: -77.149301
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -9.153
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: 7, replica: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -144.147094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.147094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.147094 (E_RNA)
where:
Base-Base interactions energy: -82.541
where: short stacking energy: -48.086
Base-Backbone interact. energy: -0.231
local terms energy: -61.375225
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -10.952
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: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -111.227340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.227340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.227340 (E_RNA)
where:
Base-Base interactions energy: -52.059
where: short stacking energy: -39.611
Base-Backbone interact. energy: -0.258
local terms energy: -58.909392
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -4.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -133.471846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.471846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.471846 (E_RNA)
where:
Base-Base interactions energy: -75.199
where: short stacking energy: -45.453
Base-Backbone interact. energy: 0.470
local terms energy: -58.743151
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -8.004
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: 1
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -129.433547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.433547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.433547 (E_RNA)
where:
Base-Base interactions energy: -66.588
where: short stacking energy: -36.067
Base-Backbone interact. energy: -0.505
local terms energy: -62.340780
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -3.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -338.153764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.153764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.153764 (E_RNA)
where:
Base-Base interactions energy: -228.317
where: short stacking energy: -102.954
Base-Backbone interact. energy: -0.131
local terms energy: -109.706546
where:
bonds (distance) C4'-P energy: -23.717
bonds (distance) P-C4' energy: -20.660
flat angles C4'-P-C4' energy: -22.420
flat angles P-C4'-P energy: -14.955
tors. eta vs tors. theta energy: -27.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -319.103972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.103972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.103972 (E_RNA)
where:
Base-Base interactions energy: -212.667
where: short stacking energy: -82.795
Base-Backbone interact. energy: -1.039
local terms energy: -105.397852
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -20.640
flat angles P-C4'-P energy: -12.885
tors. eta vs tors. theta energy: -28.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -294.616178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.616178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.616178 (E_RNA)
where:
Base-Base interactions energy: -200.575
where: short stacking energy: -77.144
Base-Backbone interact. energy: -1.481
local terms energy: -92.560704
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -21.014
flat angles C4'-P-C4' energy: -21.809
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: -21.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -304.926173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.926173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.926173 (E_RNA)
where:
Base-Base interactions energy: -211.112
where: short stacking energy: -89.814
Base-Backbone interact. energy: 0.280
local terms energy: -94.093694
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -23.352
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -23.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -222.067904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.067904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.067904 (E_RNA)
where:
Base-Base interactions energy: -132.527
where: short stacking energy: -60.935
Base-Backbone interact. energy: -0.215
local terms energy: -89.325649
where:
bonds (distance) C4'-P energy: -18.600
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: -13.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -215.631551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.631551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.631551 (E_RNA)
where:
Base-Base interactions energy: -130.660
where: short stacking energy: -68.922
Base-Backbone interact. energy: 2.094
local terms energy: -87.066047
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -16.594
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: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -143.467389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.467389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.467389 (E_RNA)
where:
Base-Base interactions energy: -69.762
where: short stacking energy: -58.684
Base-Backbone interact. energy: 0.727
local terms energy: -74.432486
where:
bonds (distance) C4'-P energy: -18.292
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -19.579
flat angles P-C4'-P energy: -5.677
tors. eta vs tors. theta energy: -10.943
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: 8, replica: 3
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -122.629141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.629141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.629141 (E_RNA)
where:
Base-Base interactions energy: -75.530
where: short stacking energy: -27.584
Base-Backbone interact. energy: 0.695
local terms energy: -47.794753
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -4.447
tors. eta vs tors. theta energy: 2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -122.845072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.845072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.845072 (E_RNA)
where:
Base-Base interactions energy: -46.702
where: short stacking energy: -34.524
Base-Backbone interact. energy: -0.374
local terms energy: -75.769244
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -22.776
flat angles P-C4'-P energy: -12.826
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: 1
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -120.763295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.763295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.763295 (E_RNA)
where:
Base-Base interactions energy: -66.918
where: short stacking energy: -40.341
Base-Backbone interact. energy: -0.080
local terms energy: -53.765253
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -8.152
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: 1, replica: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -334.869793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.869793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.869793 (E_RNA)
where:
Base-Base interactions energy: -227.457
where: short stacking energy: -100.707
Base-Backbone interact. energy: -0.386
local terms energy: -107.026399
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -23.533
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: -28.787
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: 2, replica: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -314.855077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.855077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.855077 (E_RNA)
where:
Base-Base interactions energy: -214.724
where: short stacking energy: -86.947
Base-Backbone interact. energy: -0.846
local terms energy: -99.285261
where:
bonds (distance) C4'-P energy: -19.897
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -22.203
flat angles P-C4'-P energy: -17.946
tors. eta vs tors. theta energy: -25.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -318.579200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.579200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.579200 (E_RNA)
where:
Base-Base interactions energy: -212.013
where: short stacking energy: -97.541
Base-Backbone interact. energy: -0.137
local terms energy: -106.429057
where:
bonds (distance) C4'-P energy: -21.598
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -24.605
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -29.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -295.075749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.075749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.075749 (E_RNA)
where:
Base-Base interactions energy: -203.353
where: short stacking energy: -79.081
Base-Backbone interact. energy: -0.347
local terms energy: -91.375781
where:
bonds (distance) C4'-P energy: -18.759
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -20.139
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -20.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -226.431134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.431134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.431134 (E_RNA)
where:
Base-Base interactions energy: -134.799
where: short stacking energy: -66.790
Base-Backbone interact. energy: -0.252
local terms energy: -91.380441
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -19.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -200.519594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.519594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.519594 (E_RNA)
where:
Base-Base interactions energy: -122.930
where: short stacking energy: -60.186
Base-Backbone interact. energy: 0.049
local terms energy: -77.638710
where:
bonds (distance) C4'-P energy: -17.405
bonds (distance) P-C4' energy: -24.049
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -7.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -117.392240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.392240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.392240 (E_RNA)
where:
Base-Base interactions energy: -52.929
where: short stacking energy: -19.185
Base-Backbone interact. energy: -1.011
local terms energy: -63.452793
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: 3.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -108.884545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.884545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.884545 (E_RNA)
where:
Base-Base interactions energy: -47.057
where: short stacking energy: -31.124
Base-Backbone interact. energy: -0.269
local terms energy: -61.558844
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -20.495
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -12.553
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: 9, replica: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -99.033710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.033710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.033710 (E_RNA)
where:
Base-Base interactions energy: -39.959
where: short stacking energy: -39.804
Base-Backbone interact. energy: -0.017
local terms energy: -59.057374
where:
bonds (distance) C4'-P energy: -19.707
bonds (distance) P-C4' energy: -19.694
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: 2.351
tors. eta vs tors. theta energy: -6.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -112.367589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.367589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.367589 (E_RNA)
where:
Base-Base interactions energy: -49.506
where: short stacking energy: -31.429
Base-Backbone interact. energy: 3.413
local terms energy: -66.275392
where:
bonds (distance) C4'-P energy: -21.408
bonds (distance) P-C4' energy: -18.506
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -4.102
tors. eta vs tors. theta energy: -5.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -334.702785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.702785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.702785 (E_RNA)
where:
Base-Base interactions energy: -230.823
where: short stacking energy: -103.046
Base-Backbone interact. energy: 1.063
local terms energy: -104.943131
where:
bonds (distance) C4'-P energy: -20.270
bonds (distance) P-C4' energy: -21.559
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -15.872
tors. eta vs tors. theta energy: -28.633
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: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -317.015084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.015084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.015084 (E_RNA)
where:
Base-Base interactions energy: -212.221
where: short stacking energy: -96.588
Base-Backbone interact. energy: -0.779
local terms energy: -104.015399
where:
bonds (distance) C4'-P energy: -21.486
bonds (distance) P-C4' energy: -18.440
flat angles C4'-P-C4' energy: -23.115
flat angles P-C4'-P energy: -15.202
tors. eta vs tors. theta energy: -25.771
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: 9
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -316.198626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.198626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.198626 (E_RNA)
where:
Base-Base interactions energy: -221.805
where: short stacking energy: -95.855
Base-Backbone interact. energy: -0.110
local terms energy: -94.283067
where:
bonds (distance) C4'-P energy: -19.073
bonds (distance) P-C4' energy: -18.388
flat angles C4'-P-C4' energy: -18.563
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -26.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -285.654849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.654849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.654849 (E_RNA)
where:
Base-Base interactions energy: -199.594
where: short stacking energy: -80.237
Base-Backbone interact. energy: -0.242
local terms energy: -85.818886
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -21.408
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -18.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -205.681167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.681167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.681167 (E_RNA)
where:
Base-Base interactions energy: -120.638
where: short stacking energy: -71.680
Base-Backbone interact. energy: -0.109
local terms energy: -84.934642
where:
bonds (distance) C4'-P energy: -22.761
bonds (distance) P-C4' energy: -16.807
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -15.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -201.226425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.226425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.226425 (E_RNA)
where:
Base-Base interactions energy: -116.838
where: short stacking energy: -56.070
Base-Backbone interact. energy: -0.399
local terms energy: -83.989707
where:
bonds (distance) C4'-P energy: -20.858
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -14.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -126.631165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.631165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.631165 (E_RNA)
where:
Base-Base interactions energy: -51.691
where: short stacking energy: -51.691
Base-Backbone interact. energy: -0.160
local terms energy: -74.779791
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -17.821
tors. eta vs tors. theta energy: -11.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -123.924704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.924704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.924704 (E_RNA)
where:
Base-Base interactions energy: -56.049
where: short stacking energy: -54.091
Base-Backbone interact. energy: 2.316
local terms energy: -70.192473
where:
bonds (distance) C4'-P energy: -19.314
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -10.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -101.359235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.359235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.359235 (E_RNA)
where:
Base-Base interactions energy: -41.177
where: short stacking energy: -33.524
Base-Backbone interact. energy: -0.613
local terms energy: -59.569240
where:
bonds (distance) C4'-P energy: -10.296
bonds (distance) P-C4' energy: -22.459
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -4.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -103.367121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.367121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.367121 (E_RNA)
where:
Base-Base interactions energy: -39.880
where: short stacking energy: -33.762
Base-Backbone interact. energy: -0.311
local terms energy: -63.176352
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -10.019
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: 1, replica: 7
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -332.886047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.886047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.886047 (E_RNA)
where:
Base-Base interactions energy: -228.132
where: short stacking energy: -104.455
Base-Backbone interact. energy: 0.068
local terms energy: -104.821320
where:
bonds (distance) C4'-P energy: -24.243
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -26.183
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: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -318.585420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.585420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.585420 (E_RNA)
where:
Base-Base interactions energy: -216.082
where: short stacking energy: -93.747
Base-Backbone interact. energy: 0.253
local terms energy: -102.756777
where:
bonds (distance) C4'-P energy: -19.065
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: -23.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -300.808268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.808268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.808268 (E_RNA)
where:
Base-Base interactions energy: -212.106
where: short stacking energy: -83.585
Base-Backbone interact. energy: -0.672
local terms energy: -88.030690
where:
bonds (distance) C4'-P energy: -22.790
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -22.708
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -20.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -316.201519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.201519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.201519 (E_RNA)
where:
Base-Base interactions energy: -211.677
where: short stacking energy: -91.515
Base-Backbone interact. energy: -0.214
local terms energy: -104.310076
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -23.628
flat angles P-C4'-P energy: -15.780
tors. eta vs tors. theta energy: -26.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -211.906338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.906338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.906338 (E_RNA)
where:
Base-Base interactions energy: -115.724
where: short stacking energy: -65.426
Base-Backbone interact. energy: -0.100
local terms energy: -96.082936
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -22.228
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -20.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -186.471704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.471704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.471704 (E_RNA)
where:
Base-Base interactions energy: -102.467
where: short stacking energy: -65.130
Base-Backbone interact. energy: -0.167
local terms energy: -83.837106
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -21.555
flat angles C4'-P-C4' energy: -20.380
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -16.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -131.730359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.730359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.730359 (E_RNA)
where:
Base-Base interactions energy: -65.964
where: short stacking energy: -46.244
Base-Backbone interact. energy: -0.329
local terms energy: -65.437430
where:
bonds (distance) C4'-P energy: -23.403
bonds (distance) P-C4' energy: -18.900
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: 0.919
tors. eta vs tors. theta energy: -6.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -110.578147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.578147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.578147 (E_RNA)
where:
Base-Base interactions energy: -55.355
where: short stacking energy: -37.741
Base-Backbone interact. energy: 1.631
local terms energy: -56.853816
where:
bonds (distance) C4'-P energy: -11.654
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -5.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -112.969548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.969548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.969548 (E_RNA)
where:
Base-Base interactions energy: -51.775
where: short stacking energy: -37.986
Base-Backbone interact. energy: -0.200
local terms energy: -60.994463
where:
bonds (distance) C4'-P energy: -10.507
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -15.427
tors. eta vs tors. theta energy: -6.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -87.937017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.937017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.937017 (E_RNA)
where:
Base-Base interactions energy: -29.042
where: short stacking energy: -22.163
Base-Backbone interact. energy: 0.688
local terms energy: -59.582968
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -1.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -333.201134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.201134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.201134 (E_RNA)
where:
Base-Base interactions energy: -225.537
where: short stacking energy: -97.856
Base-Backbone interact. energy: -0.112
local terms energy: -107.551739
where:
bonds (distance) C4'-P energy: -18.946
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -24.158
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -26.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -316.668705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.668705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.668705 (E_RNA)
where:
Base-Base interactions energy: -229.611
where: short stacking energy: -88.825
Base-Backbone interact. energy: -1.019
local terms energy: -86.038728
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -19.159
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -22.084
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: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -320.212795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.212795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.212795 (E_RNA)
where:
Base-Base interactions energy: -215.667
where: short stacking energy: -94.068
Base-Backbone interact. energy: -0.102
local terms energy: -104.443699
where:
bonds (distance) C4'-P energy: -19.566
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -21.907
flat angles P-C4'-P energy: -14.143
tors. eta vs tors. theta energy: -28.609
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: 9
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -319.621736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.621736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.621736 (E_RNA)
where:
Base-Base interactions energy: -218.518
where: short stacking energy: -98.463
Base-Backbone interact. energy: -0.206
local terms energy: -100.897885
where:
bonds (distance) C4'-P energy: -20.940
bonds (distance) P-C4' energy: -18.155
flat angles C4'-P-C4' energy: -20.568
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -31.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -229.608556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.608556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.608556 (E_RNA)
where:
Base-Base interactions energy: -147.493
where: short stacking energy: -72.148
Base-Backbone interact. energy: -0.131
local terms energy: -81.984018
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -21.099
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -19.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -208.300314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.300314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.300314 (E_RNA)
where:
Base-Base interactions energy: -124.402
where: short stacking energy: -62.270
Base-Backbone interact. energy: -0.269
local terms energy: -83.629197
where:
bonds (distance) C4'-P energy: -21.238
bonds (distance) P-C4' energy: -18.779
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -14.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -146.581635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.581635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.581635 (E_RNA)
where:
Base-Base interactions energy: -67.574
where: short stacking energy: -42.730
Base-Backbone interact. energy: -0.210
local terms energy: -78.798114
where:
bonds (distance) C4'-P energy: -21.463
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -6.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -117.781272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.781272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.781272 (E_RNA)
where:
Base-Base interactions energy: -41.763
where: short stacking energy: -41.763
Base-Backbone interact. energy: 0.245
local terms energy: -76.263724
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -5.481
tors. eta vs tors. theta energy: -12.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -94.527646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.527646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.527646 (E_RNA)
where:
Base-Base interactions energy: -42.329
where: short stacking energy: -20.055
Base-Backbone interact. energy: -0.494
local terms energy: -51.704315
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: 2.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -106.609780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.609780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.609780 (E_RNA)
where:
Base-Base interactions energy: -39.052
where: short stacking energy: -34.095
Base-Backbone interact. energy: -0.060
local terms energy: -67.497575
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -1.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -333.262852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.262852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.262852 (E_RNA)
where:
Base-Base interactions energy: -222.530
where: short stacking energy: -96.056
Base-Backbone interact. energy: -1.118
local terms energy: -109.614766
where:
bonds (distance) C4'-P energy: -22.634
bonds (distance) P-C4' energy: -22.862
flat angles C4'-P-C4' energy: -22.339
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -27.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -308.346268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.346268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.346268 (E_RNA)
where:
Base-Base interactions energy: -209.946
where: short stacking energy: -80.424
Base-Backbone interact. energy: -1.005
local terms energy: -97.395343
where:
bonds (distance) C4'-P energy: -21.490
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -21.699
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -23.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -322.696438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.696438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.696438 (E_RNA)
where:
Base-Base interactions energy: -211.314
where: short stacking energy: -91.760
Base-Backbone interact. energy: -1.795
local terms energy: -109.587198
where:
bonds (distance) C4'-P energy: -21.540
bonds (distance) P-C4' energy: -23.970
flat angles C4'-P-C4' energy: -21.458
flat angles P-C4'-P energy: -15.254
tors. eta vs tors. theta energy: -27.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -325.735185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.735185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.735185 (E_RNA)
where:
Base-Base interactions energy: -219.265
where: short stacking energy: -92.976
Base-Backbone interact. energy: -0.544
local terms energy: -105.927031
where:
bonds (distance) C4'-P energy: -21.577
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -25.048
flat angles P-C4'-P energy: -13.939
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: 5, replica: 6
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -197.247541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.247541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.247541 (E_RNA)
where:
Base-Base interactions energy: -119.058
where: short stacking energy: -57.802
Base-Backbone interact. energy: -0.111
local terms energy: -78.077740
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -6.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -212.843984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.843984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.843984 (E_RNA)
where:
Base-Base interactions energy: -128.765
where: short stacking energy: -83.207
Base-Backbone interact. energy: -0.290
local terms energy: -83.789599
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -25.002
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: 4
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -112.307628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.307628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.307628 (E_RNA)
where:
Base-Base interactions energy: -55.352
where: short stacking energy: -39.820
Base-Backbone interact. energy: -0.483
local terms energy: -56.472634
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -9.734
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -108.353359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.353359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.353359 (E_RNA)
where:
Base-Base interactions energy: -39.084
where: short stacking energy: -35.231
Base-Backbone interact. energy: 0.345
local terms energy: -69.614465
where:
bonds (distance) C4'-P energy: -19.072
bonds (distance) P-C4' energy: -18.117
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -7.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -111.669973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.669973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.669973 (E_RNA)
where:
Base-Base interactions energy: -39.017
where: short stacking energy: -39.017
Base-Backbone interact. energy: -0.148
local terms energy: -72.505016
where:
bonds (distance) C4'-P energy: -18.502
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -8.077
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: 3
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -103.997705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.997705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.997705 (E_RNA)
where:
Base-Base interactions energy: -46.496
where: short stacking energy: -43.586
Base-Backbone interact. energy: -0.470
local terms energy: -57.031047
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: 3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -335.204965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.204965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.204965 (E_RNA)
where:
Base-Base interactions energy: -232.226
where: short stacking energy: -102.359
Base-Backbone interact. energy: -0.108
local terms energy: -102.870891
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -22.934
flat angles C4'-P-C4' energy: -20.931
flat angles P-C4'-P energy: -15.946
tors. eta vs tors. theta energy: -28.384
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: 9
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -311.792949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.792949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.792949 (E_RNA)
where:
Base-Base interactions energy: -219.154
where: short stacking energy: -87.650
Base-Backbone interact. energy: -0.202
local terms energy: -92.436907
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -20.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -311.003287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.003287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.003287 (E_RNA)
where:
Base-Base interactions energy: -212.854
where: short stacking energy: -81.541
Base-Backbone interact. energy: -0.289
local terms energy: -97.861103
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -23.292
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -23.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -305.140275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.140275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.140275 (E_RNA)
where:
Base-Base interactions energy: -212.113
where: short stacking energy: -79.958
Base-Backbone interact. energy: -0.278
local terms energy: -92.749517
where:
bonds (distance) C4'-P energy: -21.085
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -19.644
flat angles P-C4'-P energy: -12.381
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: 5, replica: 6
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -226.870450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.870450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.870450 (E_RNA)
where:
Base-Base interactions energy: -141.286
where: short stacking energy: -71.590
Base-Backbone interact. energy: -0.394
local terms energy: -85.190061
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: -20.977
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -17.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -199.312638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.312638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.312638 (E_RNA)
where:
Base-Base interactions energy: -118.521
where: short stacking energy: -70.676
Base-Backbone interact. energy: 3.492
local terms energy: -84.283299
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -116.573447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.573447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.573447 (E_RNA)
where:
Base-Base interactions energy: -44.000
where: short stacking energy: -30.272
Base-Backbone interact. energy: -0.217
local terms energy: -72.356174
where:
bonds (distance) C4'-P energy: -23.225
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: 0.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -112.185054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.185054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.185054 (E_RNA)
where:
Base-Base interactions energy: -45.607
where: short stacking energy: -27.680
Base-Backbone interact. energy: -0.606
local terms energy: -65.971923
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -1.453
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: 1
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -106.508202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.508202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.508202 (E_RNA)
where:
Base-Base interactions energy: -32.686
where: short stacking energy: -25.842
Base-Backbone interact. energy: -0.439
local terms energy: -73.383313
where:
bonds (distance) C4'-P energy: -18.950
bonds (distance) P-C4' energy: -24.196
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -115.866809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.866809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.866809 (E_RNA)
where:
Base-Base interactions energy: -48.499
where: short stacking energy: -40.566
Base-Backbone interact. energy: -0.788
local terms energy: -66.579745
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -5.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -329.019076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.019076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.019076 (E_RNA)
where:
Base-Base interactions energy: -216.972
where: short stacking energy: -91.856
Base-Backbone interact. energy: -0.351
local terms energy: -111.696038
where:
bonds (distance) C4'-P energy: -23.051
bonds (distance) P-C4' energy: -21.581
flat angles C4'-P-C4' energy: -23.259
flat angles P-C4'-P energy: -17.028
tors. eta vs tors. theta energy: -26.776
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: 232
Temperature: 0.950000
Total energy: -329.154116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.154116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.154116 (E_RNA)
where:
Base-Base interactions energy: -235.972
where: short stacking energy: -88.601
Base-Backbone interact. energy: 0.785
local terms energy: -93.967062
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -22.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -323.639952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.639952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.639952 (E_RNA)
where:
Base-Base interactions energy: -220.406
where: short stacking energy: -92.316
Base-Backbone interact. energy: -0.547
local terms energy: -102.686885
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -21.466
flat angles P-C4'-P energy: -16.334
tors. eta vs tors. theta energy: -26.317
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: 10
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -287.019874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.019874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.019874 (E_RNA)
where:
Base-Base interactions energy: -197.347
where: short stacking energy: -74.800
Base-Backbone interact. energy: -0.147
local terms energy: -89.526080
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -22.204
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -19.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -206.667253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.667253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.667253 (E_RNA)
where:
Base-Base interactions energy: -121.308
where: short stacking energy: -69.203
Base-Backbone interact. energy: 0.143
local terms energy: -85.502083
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -22.185
flat angles P-C4'-P energy: -8.959
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: 6
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -216.484405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.484405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.484405 (E_RNA)
where:
Base-Base interactions energy: -146.707
where: short stacking energy: -65.075
Base-Backbone interact. energy: 1.917
local terms energy: -71.693944
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: -16.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -113.608431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.608431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.608431 (E_RNA)
where:
Base-Base interactions energy: -46.913
where: short stacking energy: -36.567
Base-Backbone interact. energy: -0.178
local terms energy: -66.516698
where:
bonds (distance) C4'-P energy: -17.976
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -6.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -120.584438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.584438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.584438 (E_RNA)
where:
Base-Base interactions energy: -50.541
where: short stacking energy: -49.924
Base-Backbone interact. energy: -0.525
local terms energy: -69.518361
where:
bonds (distance) C4'-P energy: -19.421
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -117.676251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.676251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.676251 (E_RNA)
where:
Base-Base interactions energy: -53.368
where: short stacking energy: -39.296
Base-Backbone interact. energy: -0.240
local terms energy: -64.068491
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -21.018
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -4.400
tors. eta vs tors. theta energy: -0.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -107.799403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.799403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.799403 (E_RNA)
where:
Base-Base interactions energy: -45.647
where: short stacking energy: -38.428
Base-Backbone interact. energy: -0.300
local terms energy: -61.852958
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -8.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -328.602266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.602266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.602266 (E_RNA)
where:
Base-Base interactions energy: -220.227
where: short stacking energy: -91.963
Base-Backbone interact. energy: -0.636
local terms energy: -107.739723
where:
bonds (distance) C4'-P energy: -22.405
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -30.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -315.683686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.683686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.683686 (E_RNA)
where:
Base-Base interactions energy: -216.381
where: short stacking energy: -94.892
Base-Backbone interact. energy: -0.241
local terms energy: -99.061500
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -22.349
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -14.209
tors. eta vs tors. theta energy: -27.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -303.546465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.546465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.546465 (E_RNA)
where:
Base-Base interactions energy: -225.701
where: short stacking energy: -89.306
Base-Backbone interact. energy: -0.147
local terms energy: -77.698882
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -20.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -297.438425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.438425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.438425 (E_RNA)
where:
Base-Base interactions energy: -205.729
where: short stacking energy: -87.441
Base-Backbone interact. energy: -0.811
local terms energy: -90.898000
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -21.541
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -23.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -216.288276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.288276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.288276 (E_RNA)
where:
Base-Base interactions energy: -123.210
where: short stacking energy: -66.555
Base-Backbone interact. energy: 0.798
local terms energy: -93.876073
where:
bonds (distance) C4'-P energy: -22.393
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -16.105
tors. eta vs tors. theta energy: -18.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -212.517288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.517288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.517288 (E_RNA)
where:
Base-Base interactions energy: -127.051
where: short stacking energy: -59.593
Base-Backbone interact. energy: -0.124
local terms energy: -85.341932
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -19.450
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -120.550924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.550924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.550924 (E_RNA)
where:
Base-Base interactions energy: -55.197
where: short stacking energy: -44.039
Base-Backbone interact. energy: 0.112
local terms energy: -65.465852
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -18.304
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -11.334
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: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -103.102312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.102312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.102312 (E_RNA)
where:
Base-Base interactions energy: -37.046
where: short stacking energy: -31.967
Base-Backbone interact. energy: -0.285
local terms energy: -65.771279
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -21.638
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -15.064
tors. eta vs tors. theta energy: 0.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -119.922595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.922595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.922595 (E_RNA)
where:
Base-Base interactions energy: -46.345
where: short stacking energy: -43.606
Base-Backbone interact. energy: -0.043
local terms energy: -73.535019
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -19.303
flat angles C4'-P-C4' energy: -18.942
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -14.583
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: 1
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -108.027667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.027667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.027667 (E_RNA)
where:
Base-Base interactions energy: -46.526
where: short stacking energy: -40.071
Base-Backbone interact. energy: 0.463
local terms energy: -61.964909
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -4.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -332.598437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.598437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.598437 (E_RNA)
where:
Base-Base interactions energy: -222.442
where: short stacking energy: -96.835
Base-Backbone interact. energy: -0.467
local terms energy: -109.689629
where:
bonds (distance) C4'-P energy: -23.043
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -24.304
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -28.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -331.517605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.517605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.517605 (E_RNA)
where:
Base-Base interactions energy: -225.357
where: short stacking energy: -101.843
Base-Backbone interact. energy: 1.511
local terms energy: -107.671172
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -23.258
flat angles C4'-P-C4' energy: -19.572
flat angles P-C4'-P energy: -17.295
tors. eta vs tors. theta energy: -27.280
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: 10
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -289.758007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.758007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.758007 (E_RNA)
where:
Base-Base interactions energy: -203.616
where: short stacking energy: -80.785
Base-Backbone interact. energy: -0.871
local terms energy: -85.271840
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -19.376
flat angles C4'-P-C4' energy: -21.532
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -15.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -323.238333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.238333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.238333 (E_RNA)
where:
Base-Base interactions energy: -218.854
where: short stacking energy: -93.240
Base-Backbone interact. energy: -0.246
local terms energy: -104.138992
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -24.016
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: -29.904
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: 6
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -221.056489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.056489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.056489 (E_RNA)
where:
Base-Base interactions energy: -136.996
where: short stacking energy: -70.980
Base-Backbone interact. energy: 1.630
local terms energy: -85.691256
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -17.465
tors. eta vs tors. theta energy: -15.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -216.629300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.629300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.629300 (E_RNA)
where:
Base-Base interactions energy: -128.434
where: short stacking energy: -64.455
Base-Backbone interact. energy: -0.205
local terms energy: -87.990818
where:
bonds (distance) C4'-P energy: -20.506
bonds (distance) P-C4' energy: -21.714
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -19.097
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: 234
Temperature: 1.200000
Total energy: -117.571291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.571291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.571291 (E_RNA)
where:
Base-Base interactions energy: -43.856
where: short stacking energy: -41.590
Base-Backbone interact. energy: -0.244
local terms energy: -73.471369
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -19.040
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -10.743
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: 8, replica: 4
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -115.007383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.007383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.007383 (E_RNA)
where:
Base-Base interactions energy: -41.347
where: short stacking energy: -40.330
Base-Backbone interact. energy: -0.155
local terms energy: -73.505122
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -16.944
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -13.280
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: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -114.316993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.316993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.316993 (E_RNA)
where:
Base-Base interactions energy: -44.900
where: short stacking energy: -44.118
Base-Backbone interact. energy: 0.500
local terms energy: -69.917269
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -10.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -109.416517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.416517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.416517 (E_RNA)
where:
Base-Base interactions energy: -42.368
where: short stacking energy: -40.939
Base-Backbone interact. energy: -0.010
local terms energy: -67.038419
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -10.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -323.476168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.476168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.476168 (E_RNA)
where:
Base-Base interactions energy: -223.612
where: short stacking energy: -92.609
Base-Backbone interact. energy: -0.080
local terms energy: -99.784491
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -23.920
flat angles P-C4'-P energy: -17.232
tors. eta vs tors. theta energy: -22.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -325.880158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.880158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.880158 (E_RNA)
where:
Base-Base interactions energy: -216.738
where: short stacking energy: -95.668
Base-Backbone interact. energy: -0.173
local terms energy: -108.969574
where:
bonds (distance) C4'-P energy: -20.133
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -22.932
flat angles P-C4'-P energy: -18.511
tors. eta vs tors. theta energy: -29.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -295.303000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.303000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.303000 (E_RNA)
where:
Base-Base interactions energy: -205.512
where: short stacking energy: -84.836
Base-Backbone interact. energy: -0.847
local terms energy: -88.943572
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -19.277
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: 9
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -305.661989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.661989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.661989 (E_RNA)
where:
Base-Base interactions energy: -213.983
where: short stacking energy: -89.572
Base-Backbone interact. energy: -0.859
local terms energy: -90.819843
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -18.737
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -14.899
tors. eta vs tors. theta energy: -23.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -245.683608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.683608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.683608 (E_RNA)
where:
Base-Base interactions energy: -152.493
where: short stacking energy: -87.330
Base-Backbone interact. energy: -0.005
local terms energy: -93.185728
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -20.608
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -26.196
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: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -216.921328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.921328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.921328 (E_RNA)
where:
Base-Base interactions energy: -134.812
where: short stacking energy: -71.223
Base-Backbone interact. energy: -0.168
local terms energy: -81.940650
where:
bonds (distance) C4'-P energy: -19.753
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -19.957
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -18.543
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: 8
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -127.065901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.065901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.065901 (E_RNA)
where:
Base-Base interactions energy: -62.201
where: short stacking energy: -47.942
Base-Backbone interact. energy: 0.129
local terms energy: -64.994759
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -11.344
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: 8, replica: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -118.258641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.258641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.258641 (E_RNA)
where:
Base-Base interactions energy: -45.661
where: short stacking energy: -41.176
Base-Backbone interact. energy: -0.216
local terms energy: -72.381629
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -19.668
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -7.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -105.271606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.271606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.271606 (E_RNA)
where:
Base-Base interactions energy: -53.254
where: short stacking energy: -31.885
Base-Backbone interact. energy: -0.094
local terms energy: -51.923718
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -11.114
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: 0.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -96.293529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.293529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.293529 (E_RNA)
where:
Base-Base interactions energy: -29.066
where: short stacking energy: -26.312
Base-Backbone interact. energy: -0.265
local terms energy: -66.963363
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -2.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -335.061405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.061405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.061405 (E_RNA)
where:
Base-Base interactions energy: -246.480
where: short stacking energy: -96.388
Base-Backbone interact. energy: 0.474
local terms energy: -89.055332
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -24.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -327.459287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.459287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.459287 (E_RNA)
where:
Base-Base interactions energy: -219.777
where: short stacking energy: -92.450
Base-Backbone interact. energy: -0.467
local terms energy: -107.215257
where:
bonds (distance) C4'-P energy: -23.167
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -20.157
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -31.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -310.469987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.469987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.469987 (E_RNA)
where:
Base-Base interactions energy: -214.760
where: short stacking energy: -82.262
Base-Backbone interact. energy: -1.300
local terms energy: -94.410640
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -22.736
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -20.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -291.006375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.006375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.006375 (E_RNA)
where:
Base-Base interactions energy: -206.236
where: short stacking energy: -72.527
Base-Backbone interact. energy: -0.703
local terms energy: -84.067512
where:
bonds (distance) C4'-P energy: -21.060
bonds (distance) P-C4' energy: -19.348
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -6.560
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: 5, replica: 6
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -235.464339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.464339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.464339 (E_RNA)
where:
Base-Base interactions energy: -136.223
where: short stacking energy: -74.878
Base-Backbone interact. energy: -0.036
local terms energy: -99.205389
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -22.969
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -18.060
tors. eta vs tors. theta energy: -21.072
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: 6, replica: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -239.970231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.970231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.970231 (E_RNA)
where:
Base-Base interactions energy: -158.483
where: short stacking energy: -67.104
Base-Backbone interact. energy: 1.440
local terms energy: -82.927888
where:
bonds (distance) C4'-P energy: -17.049
bonds (distance) P-C4' energy: -17.655
flat angles C4'-P-C4' energy: -21.067
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -14.400
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: 7, replica: 1
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -127.643580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.643580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.643580 (E_RNA)
where:
Base-Base interactions energy: -55.975
where: short stacking energy: -32.948
Base-Backbone interact. energy: -0.421
local terms energy: -71.247928
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -22.298
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -5.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -145.064101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.064101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.064101 (E_RNA)
where:
Base-Base interactions energy: -79.946
where: short stacking energy: -49.604
Base-Backbone interact. energy: -0.135
local terms energy: -64.983936
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -19.655
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: 2.987
tors. eta vs tors. theta energy: -15.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -103.876148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.876148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.876148 (E_RNA)
where:
Base-Base interactions energy: -36.275
where: short stacking energy: -36.004
Base-Backbone interact. energy: -0.395
local terms energy: -67.205201
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -4.184
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: 4
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -89.886393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.886393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.886393 (E_RNA)
where:
Base-Base interactions energy: -32.122
where: short stacking energy: -18.615
Base-Backbone interact. energy: -0.177
local terms energy: -57.586872
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -20.998
flat angles P-C4'-P energy: -4.280
tors. eta vs tors. theta energy: 0.320
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: 237
Temperature: 0.900000
Total energy: -334.696234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.696234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.696234 (E_RNA)
where:
Base-Base interactions energy: -234.832
where: short stacking energy: -95.517
Base-Backbone interact. energy: -0.905
local terms energy: -98.959317
where:
bonds (distance) C4'-P energy: -20.933
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -27.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -333.598753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.598753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.598753 (E_RNA)
where:
Base-Base interactions energy: -227.324
where: short stacking energy: -97.847
Base-Backbone interact. energy: -0.068
local terms energy: -106.206692
where:
bonds (distance) C4'-P energy: -23.381
bonds (distance) P-C4' energy: -22.324
flat angles C4'-P-C4' energy: -20.213
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -29.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -321.318969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.318969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.318969 (E_RNA)
where:
Base-Base interactions energy: -220.252
where: short stacking energy: -97.357
Base-Backbone interact. energy: -0.037
local terms energy: -101.030360
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -20.902
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -29.768
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: 4, replica: 10
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -289.620963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.620963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.620963 (E_RNA)
where:
Base-Base interactions energy: -209.661
where: short stacking energy: -82.145
Base-Backbone interact. energy: -1.567
local terms energy: -78.393440
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -20.562
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -20.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -228.970146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.970146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.970146 (E_RNA)
where:
Base-Base interactions energy: -144.750
where: short stacking energy: -75.120
Base-Backbone interact. energy: 0.109
local terms energy: -84.328881
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -20.131
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -22.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -248.255242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.255242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.255242 (E_RNA)
where:
Base-Base interactions energy: -167.893
where: short stacking energy: -73.999
Base-Backbone interact. energy: -0.272
local terms energy: -80.091008
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -22.998
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -12.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -121.745174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.745174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.745174 (E_RNA)
where:
Base-Base interactions energy: -52.794
where: short stacking energy: -28.411
Base-Backbone interact. energy: -0.176
local terms energy: -68.775295
where:
bonds (distance) C4'-P energy: -19.321
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -2.383
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: 3
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -102.127684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.127684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.127684 (E_RNA)
where:
Base-Base interactions energy: -38.582
where: short stacking energy: -36.464
Base-Backbone interact. energy: -0.311
local terms energy: -63.234259
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -4.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -111.215772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.215772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.215772 (E_RNA)
where:
Base-Base interactions energy: -51.587
where: short stacking energy: -28.260
Base-Backbone interact. energy: 0.963
local terms energy: -60.591705
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -23.086
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -4.188
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: 4
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -121.798455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.798455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.798455 (E_RNA)
where:
Base-Base interactions energy: -50.175
where: short stacking energy: -25.228
Base-Backbone interact. energy: 1.722
local terms energy: -73.345098
where:
bonds (distance) C4'-P energy: -19.831
bonds (distance) P-C4' energy: -22.415
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -16.024
tors. eta vs tors. theta energy: 1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -325.569845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.569845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.569845 (E_RNA)
where:
Base-Base interactions energy: -221.218
where: short stacking energy: -91.376
Base-Backbone interact. energy: -1.017
local terms energy: -103.335627
where:
bonds (distance) C4'-P energy: -22.985
bonds (distance) P-C4' energy: -22.367
flat angles C4'-P-C4' energy: -19.506
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -24.777
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: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -321.179597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.179597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.179597 (E_RNA)
where:
Base-Base interactions energy: -221.697
where: short stacking energy: -92.172
Base-Backbone interact. energy: 0.305
local terms energy: -99.787862
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -23.762
flat angles C4'-P-C4' energy: -20.664
flat angles P-C4'-P energy: -14.860
tors. eta vs tors. theta energy: -23.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -301.708958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.708958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.708958 (E_RNA)
where:
Base-Base interactions energy: -205.680
where: short stacking energy: -78.431
Base-Backbone interact. energy: -1.006
local terms energy: -95.023479
where:
bonds (distance) C4'-P energy: -22.700
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -27.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -313.481654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.481654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.481654 (E_RNA)
where:
Base-Base interactions energy: -211.408
where: short stacking energy: -92.312
Base-Backbone interact. energy: -0.091
local terms energy: -101.982663
where:
bonds (distance) C4'-P energy: -22.012
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: -27.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -269.174972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.174972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.174972 (E_RNA)
where:
Base-Base interactions energy: -171.112
where: short stacking energy: -74.848
Base-Backbone interact. energy: -1.194
local terms energy: -96.869199
where:
bonds (distance) C4'-P energy: -20.190
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -19.435
flat angles P-C4'-P energy: -16.317
tors. eta vs tors. theta energy: -17.007
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: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -224.658512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.658512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.658512 (E_RNA)
where:
Base-Base interactions energy: -135.133
where: short stacking energy: -65.678
Base-Backbone interact. energy: -0.153
local terms energy: -89.372370
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -22.514
flat angles P-C4'-P energy: -14.886
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: 7, replica: 3
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -135.266434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.266434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.266434 (E_RNA)
where:
Base-Base interactions energy: -61.233
where: short stacking energy: -50.780
Base-Backbone interact. energy: 0.172
local terms energy: -74.204832
where:
bonds (distance) C4'-P energy: -18.397
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -6.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -108.353744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.353744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.353744 (E_RNA)
where:
Base-Base interactions energy: -43.102
where: short stacking energy: -43.102
Base-Backbone interact. energy: -0.127
local terms energy: -65.124789
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -11.193
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: 9, replica: 4
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -98.738971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.738971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.738971 (E_RNA)
where:
Base-Base interactions energy: -38.256
where: short stacking energy: -30.070
Base-Backbone interact. energy: 1.369
local terms energy: -61.851576
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -2.907
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: 8
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -95.927474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.927474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.927474 (E_RNA)
where:
Base-Base interactions energy: -23.421
where: short stacking energy: -21.738
Base-Backbone interact. energy: 0.737
local terms energy: -73.243460
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -23.170
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -328.176923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.176923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.176923 (E_RNA)
where:
Base-Base interactions energy: -218.430
where: short stacking energy: -91.677
Base-Backbone interact. energy: -0.373
local terms energy: -109.373163
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -26.150
flat angles P-C4'-P energy: -18.681
tors. eta vs tors. theta energy: -27.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -316.520322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.520322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.520322 (E_RNA)
where:
Base-Base interactions energy: -210.067
where: short stacking energy: -95.935
Base-Backbone interact. energy: -0.331
local terms energy: -106.122004
where:
bonds (distance) C4'-P energy: -19.752
bonds (distance) P-C4' energy: -17.983
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -19.058
tors. eta vs tors. theta energy: -27.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -300.706414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.706414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.706414 (E_RNA)
where:
Base-Base interactions energy: -204.990
where: short stacking energy: -84.964
Base-Backbone interact. energy: -0.719
local terms energy: -94.996910
where:
bonds (distance) C4'-P energy: -19.329
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -19.211
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -23.711
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: 239
Temperature: 1.050000
Total energy: -309.417853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.417853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.417853 (E_RNA)
where:
Base-Base interactions energy: -214.508
where: short stacking energy: -82.050
Base-Backbone interact. energy: -1.727
local terms energy: -93.183568
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -20.319
flat angles C4'-P-C4' energy: -21.790
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -20.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -249.274587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.274587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.274587 (E_RNA)
where:
Base-Base interactions energy: -162.527
where: short stacking energy: -64.402
Base-Backbone interact. energy: 0.362
local terms energy: -87.110105
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -17.584
tors. eta vs tors. theta energy: -10.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -209.149891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.149891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.149891 (E_RNA)
where:
Base-Base interactions energy: -137.796
where: short stacking energy: -71.306
Base-Backbone interact. energy: -0.070
local terms energy: -71.284540
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -13.573
tors. eta vs tors. theta energy: -10.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -124.206303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.206303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.206303 (E_RNA)
where:
Base-Base interactions energy: -57.194
where: short stacking energy: -45.025
Base-Backbone interact. energy: -0.911
local terms energy: -66.100636
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -19.348
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -8.827
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: 8, replica: 4
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -145.799009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.799009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.799009 (E_RNA)
where:
Base-Base interactions energy: -79.925
where: short stacking energy: -50.748
Base-Backbone interact. energy: -0.109
local terms energy: -65.764742
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -20.688
flat angles C4'-P-C4' energy: -21.809
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -0.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -99.507695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.507695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.507695 (E_RNA)
where:
Base-Base interactions energy: -27.461
where: short stacking energy: -27.461
Base-Backbone interact. energy: -0.174
local terms energy: -71.873375
where:
bonds (distance) C4'-P energy: -18.258
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -2.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -102.044919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.044919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.044919 (E_RNA)
where:
Base-Base interactions energy: -40.565
where: short stacking energy: -36.625
Base-Backbone interact. energy: -0.365
local terms energy: -61.114999
where:
bonds (distance) C4'-P energy: -17.744
bonds (distance) P-C4' energy: -12.658
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -4.864
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: 240
Temperature: 0.900000
Total energy: -327.581230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.581230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.581230 (E_RNA)
where:
Base-Base interactions energy: -231.134
where: short stacking energy: -94.661
Base-Backbone interact. energy: -0.218
local terms energy: -96.228435
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -20.830
flat angles C4'-P-C4' energy: -22.834
flat angles P-C4'-P energy: -15.817
tors. eta vs tors. theta energy: -20.344
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: 240
Temperature: 0.950000
Total energy: -321.716053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.716053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.716053 (E_RNA)
where:
Base-Base interactions energy: -221.716
where: short stacking energy: -88.799
Base-Backbone interact. energy: -0.533
local terms energy: -99.466888
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -27.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -314.321697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.321697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.321697 (E_RNA)
where:
Base-Base interactions energy: -207.324
where: short stacking energy: -87.099
Base-Backbone interact. energy: -0.133
local terms energy: -106.865355
where:
bonds (distance) C4'-P energy: -20.425
bonds (distance) P-C4' energy: -21.246
flat angles C4'-P-C4' energy: -25.207
flat angles P-C4'-P energy: -16.989
tors. eta vs tors. theta energy: -22.999
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: 10
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -288.323533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.323533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.323533 (E_RNA)
where:
Base-Base interactions energy: -198.926
where: short stacking energy: -77.776
Base-Backbone interact. energy: -0.446
local terms energy: -88.950920
where:
bonds (distance) C4'-P energy: -20.112
bonds (distance) P-C4' energy: -19.321
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -18.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -271.995722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.995722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.995722 (E_RNA)
where:
Base-Base interactions energy: -180.515
where: short stacking energy: -78.114
Base-Backbone interact. energy: 0.201
local terms energy: -91.681781
where:
bonds (distance) C4'-P energy: -17.990
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -20.778
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -25.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -168.087857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.087857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.087857 (E_RNA)
where:
Base-Base interactions energy: -93.224
where: short stacking energy: -52.738
Base-Backbone interact. energy: -0.095
local terms energy: -74.768626
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -16.137
flat angles C4'-P-C4' energy: -21.795
flat angles P-C4'-P energy: -4.257
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: 7, replica: 4
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -148.913879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.913879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.913879 (E_RNA)
where:
Base-Base interactions energy: -76.748
where: short stacking energy: -32.724
Base-Backbone interact. energy: -1.443
local terms energy: -70.722999
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -18.645
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -109.145521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.145521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.145521 (E_RNA)
where:
Base-Base interactions energy: -35.025
where: short stacking energy: -30.206
Base-Backbone interact. energy: 0.493
local terms energy: -74.612763
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -21.825
flat angles C4'-P-C4' energy: -20.088
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -9.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -113.047953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.047953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.047953 (E_RNA)
where:
Base-Base interactions energy: -47.219
where: short stacking energy: -32.683
Base-Backbone interact. energy: -0.054
local terms energy: -65.775861
where:
bonds (distance) C4'-P energy: -16.154
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -1.806
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: 10, replica: 1
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -99.590800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.590800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.590800 (E_RNA)
where:
Base-Base interactions energy: -38.469
where: short stacking energy: -38.288
Base-Backbone interact. energy: -0.244
local terms energy: -60.877701
where:
bonds (distance) C4'-P energy: -18.425
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -2.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -331.761897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.761897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.761897 (E_RNA)
where:
Base-Base interactions energy: -230.576
where: short stacking energy: -104.195
Base-Backbone interact. energy: 0.681
local terms energy: -101.867408
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -18.839
flat angles C4'-P-C4' energy: -24.142
flat angles P-C4'-P energy: -16.330
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: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -314.498403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.498403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.498403 (E_RNA)
where:
Base-Base interactions energy: -215.227
where: short stacking energy: -87.764
Base-Backbone interact. energy: -0.261
local terms energy: -99.010012
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -21.313
flat angles C4'-P-C4' energy: -21.159
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -22.880
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: 7
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -315.978307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.978307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.978307 (E_RNA)
where:
Base-Base interactions energy: -209.312
where: short stacking energy: -87.965
Base-Backbone interact. energy: -0.794
local terms energy: -105.872555
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -17.107
tors. eta vs tors. theta energy: -29.355
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: 10
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -293.738097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.738097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.738097 (E_RNA)
where:
Base-Base interactions energy: -207.288
where: short stacking energy: -74.783
Base-Backbone interact. energy: -0.912
local terms energy: -85.537904
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -20.345
flat angles P-C4'-P energy: -9.072
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: 5, replica: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -250.171411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.171411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.171411 (E_RNA)
where:
Base-Base interactions energy: -163.297
where: short stacking energy: -71.494
Base-Backbone interact. energy: -1.832
local terms energy: -85.042403
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -21.167
flat angles P-C4'-P energy: -7.837
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: 6, replica: 6
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -172.439208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.439208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.439208 (E_RNA)
where:
Base-Base interactions energy: -89.188
where: short stacking energy: -64.644
Base-Backbone interact. energy: -0.013
local terms energy: -83.238280
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -11.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -112.602202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.602202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.602202 (E_RNA)
where:
Base-Base interactions energy: -49.896
where: short stacking energy: -31.170
Base-Backbone interact. energy: -0.142
local terms energy: -62.564770
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -15.009
tors. eta vs tors. theta energy: -1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -118.465511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.465511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.465511 (E_RNA)
where:
Base-Base interactions energy: -53.420
where: short stacking energy: -32.817
Base-Backbone interact. energy: -0.219
local terms energy: -64.826713
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -2.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -100.991080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.991080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.991080 (E_RNA)
where:
Base-Base interactions energy: -42.564
where: short stacking energy: -27.435
Base-Backbone interact. energy: -0.139
local terms energy: -58.288133
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -15.908
tors. eta vs tors. theta energy: 1.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -96.349536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.349536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.349536 (E_RNA)
where:
Base-Base interactions energy: -35.409
where: short stacking energy: -31.899
Base-Backbone interact. energy: 0.078
local terms energy: -61.018354
where:
bonds (distance) C4'-P energy: -19.590
bonds (distance) P-C4' energy: -25.228
flat angles C4'-P-C4' energy: -7.619
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: 2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -326.456747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.456747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.456747 (E_RNA)
where:
Base-Base interactions energy: -225.328
where: short stacking energy: -95.456
Base-Backbone interact. energy: -0.083
local terms energy: -101.045698
where:
bonds (distance) C4'-P energy: -21.893
bonds (distance) P-C4' energy: -19.980
flat angles C4'-P-C4' energy: -23.814
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -25.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -327.018967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.018967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.018967 (E_RNA)
where:
Base-Base interactions energy: -223.470
where: short stacking energy: -99.799
Base-Backbone interact. energy: 0.400
local terms energy: -103.949203
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -21.016
flat angles P-C4'-P energy: -15.561
tors. eta vs tors. theta energy: -30.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -312.859230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.859230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.859230 (E_RNA)
where:
Base-Base interactions energy: -213.338
where: short stacking energy: -92.147
Base-Backbone interact. energy: -0.449
local terms energy: -99.072769
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -23.169
flat angles C4'-P-C4' energy: -21.093
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -19.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -296.579944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.579944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.579944 (E_RNA)
where:
Base-Base interactions energy: -210.876
where: short stacking energy: -79.048
Base-Backbone interact. energy: -0.874
local terms energy: -84.829433
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -20.927
flat angles P-C4'-P energy: -8.620
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: 242
Temperature: 1.100000
Total energy: -247.236009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.236009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.236009 (E_RNA)
where:
Base-Base interactions energy: -154.205
where: short stacking energy: -76.195
Base-Backbone interact. energy: -0.143
local terms energy: -92.888362
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -22.473
flat angles C4'-P-C4' energy: -20.252
flat angles P-C4'-P energy: -15.059
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: 6, replica: 6
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -164.237286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.237286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.237286 (E_RNA)
where:
Base-Base interactions energy: -88.450
where: short stacking energy: -50.813
Base-Backbone interact. energy: 0.641
local terms energy: -76.428257
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -11.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -128.229526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.229526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.229526 (E_RNA)
where:
Base-Base interactions energy: -60.787
where: short stacking energy: -50.002
Base-Backbone interact. energy: -0.289
local terms energy: -67.153312
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -12.583
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: 8, replica: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -125.709121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.709121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.709121 (E_RNA)
where:
Base-Base interactions energy: -58.229
where: short stacking energy: -41.371
Base-Backbone interact. energy: -0.891
local terms energy: -66.589020
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -11.625
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: 9, replica: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -111.328531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.328531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.328531 (E_RNA)
where:
Base-Base interactions energy: -40.503
where: short stacking energy: -33.683
Base-Backbone interact. energy: -0.574
local terms energy: -70.251626
where:
bonds (distance) C4'-P energy: -19.850
bonds (distance) P-C4' energy: -17.898
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -15.938
tors. eta vs tors. theta energy: 1.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -111.013760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.013760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.013760 (E_RNA)
where:
Base-Base interactions energy: -54.293
where: short stacking energy: -41.108
Base-Backbone interact. energy: -0.225
local terms energy: -56.495890
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -19.210
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -4.819
tors. eta vs tors. theta energy: -1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -330.973130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.973130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.973130 (E_RNA)
where:
Base-Base interactions energy: -222.178
where: short stacking energy: -98.643
Base-Backbone interact. energy: -0.204
local terms energy: -108.590845
where:
bonds (distance) C4'-P energy: -22.137
bonds (distance) P-C4' energy: -23.169
flat angles C4'-P-C4' energy: -19.795
flat angles P-C4'-P energy: -16.843
tors. eta vs tors. theta energy: -26.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -321.513341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.513341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.513341 (E_RNA)
where:
Base-Base interactions energy: -226.613
where: short stacking energy: -102.426
Base-Backbone interact. energy: -0.204
local terms energy: -94.696793
where:
bonds (distance) C4'-P energy: -18.634
bonds (distance) P-C4' energy: -20.547
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -25.767
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: 2
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -322.497447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.497447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.497447 (E_RNA)
where:
Base-Base interactions energy: -222.452
where: short stacking energy: -93.305
Base-Backbone interact. energy: -0.347
local terms energy: -99.698220
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -23.560
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -27.138
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: 243
Temperature: 1.050000
Total energy: -312.397786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.397786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.397786 (E_RNA)
where:
Base-Base interactions energy: -211.040
where: short stacking energy: -85.327
Base-Backbone interact. energy: -0.810
local terms energy: -100.547900
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -21.837
flat angles C4'-P-C4' energy: -21.074
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -26.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -273.842963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.842963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.842963 (E_RNA)
where:
Base-Base interactions energy: -186.990
where: short stacking energy: -89.156
Base-Backbone interact. energy: -0.047
local terms energy: -86.805910
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -19.062
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -20.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -166.620733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.620733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.620733 (E_RNA)
where:
Base-Base interactions energy: -90.864
where: short stacking energy: -50.654
Base-Backbone interact. energy: 0.532
local terms energy: -76.289334
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -19.004
flat angles C4'-P-C4' energy: -21.165
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -8.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -134.195114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.195114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.195114 (E_RNA)
where:
Base-Base interactions energy: -79.698
where: short stacking energy: -32.559
Base-Backbone interact. energy: -1.183
local terms energy: -53.314592
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -6.597
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: 8, replica: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -171.389179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.389179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.389179 (E_RNA)
where:
Base-Base interactions energy: -106.192
where: short stacking energy: -46.043
Base-Backbone interact. energy: -0.184
local terms energy: -65.012911
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -18.602
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -3.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -107.299764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.299764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.299764 (E_RNA)
where:
Base-Base interactions energy: -36.637
where: short stacking energy: -36.503
Base-Backbone interact. energy: -0.129
local terms energy: -70.533965
where:
bonds (distance) C4'-P energy: -20.307
bonds (distance) P-C4' energy: -17.630
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -99.212726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.212726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.212726 (E_RNA)
where:
Base-Base interactions energy: -40.215
where: short stacking energy: -36.800
Base-Backbone interact. energy: -0.286
local terms energy: -58.711391
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: 1.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -326.979332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.979332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.979332 (E_RNA)
where:
Base-Base interactions energy: -219.178
where: short stacking energy: -97.400
Base-Backbone interact. energy: -0.736
local terms energy: -107.065305
where:
bonds (distance) C4'-P energy: -20.980
bonds (distance) P-C4' energy: -21.365
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -27.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -322.437014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.437014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.437014 (E_RNA)
where:
Base-Base interactions energy: -220.958
where: short stacking energy: -95.383
Base-Backbone interact. energy: 0.471
local terms energy: -101.950126
where:
bonds (distance) C4'-P energy: -20.483
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -23.328
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -26.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -322.197105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.197105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.197105 (E_RNA)
where:
Base-Base interactions energy: -219.470
where: short stacking energy: -90.565
Base-Backbone interact. energy: -1.081
local terms energy: -101.645855
where:
bonds (distance) C4'-P energy: -21.532
bonds (distance) P-C4' energy: -18.910
flat angles C4'-P-C4' energy: -21.484
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -27.075
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: 10
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -266.795233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.795233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.795233 (E_RNA)
where:
Base-Base interactions energy: -186.905
where: short stacking energy: -74.587
Base-Backbone interact. energy: 0.645
local terms energy: -80.534819
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -12.304
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -14.568
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: 5, replica: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -284.028409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.028409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.028409 (E_RNA)
where:
Base-Base interactions energy: -192.997
where: short stacking energy: -84.411
Base-Backbone interact. energy: -1.168
local terms energy: -89.863259
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -22.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -173.564031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.564031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.564031 (E_RNA)
where:
Base-Base interactions energy: -93.172
where: short stacking energy: -47.713
Base-Backbone interact. energy: -0.159
local terms energy: -80.233214
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -15.196
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: 7, replica: 4
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -179.834144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.834144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.834144 (E_RNA)
where:
Base-Base interactions energy: -109.937
where: short stacking energy: -44.548
Base-Backbone interact. energy: -0.736
local terms energy: -69.161464
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -140.913539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.913539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.913539 (E_RNA)
where:
Base-Base interactions energy: -74.672
where: short stacking energy: -64.131
Base-Backbone interact. energy: -1.016
local terms energy: -65.225436
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -16.810
flat angles C4'-P-C4' energy: -19.497
flat angles P-C4'-P energy: -1.759
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: 9, replica: 3
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -104.848477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.848477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.848477 (E_RNA)
where:
Base-Base interactions energy: -52.735
where: short stacking energy: -48.632
Base-Backbone interact. energy: 0.411
local terms energy: -52.524283
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -1.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -119.267350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.267350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.267350 (E_RNA)
where:
Base-Base interactions energy: -51.190
where: short stacking energy: -46.515
Base-Backbone interact. energy: -0.108
local terms energy: -67.968812
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -8.608
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: 9
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -329.182723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.182723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.182723 (E_RNA)
where:
Base-Base interactions energy: -235.156
where: short stacking energy: -100.863
Base-Backbone interact. energy: -0.074
local terms energy: -93.952284
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -29.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -327.622062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.622062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.622062 (E_RNA)
where:
Base-Base interactions energy: -223.605
where: short stacking energy: -91.813
Base-Backbone interact. energy: -0.435
local terms energy: -103.582848
where:
bonds (distance) C4'-P energy: -21.852
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -22.927
flat angles P-C4'-P energy: -14.490
tors. eta vs tors. theta energy: -23.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -312.854571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.854571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.854571 (E_RNA)
where:
Base-Base interactions energy: -213.283
where: short stacking energy: -87.923
Base-Backbone interact. energy: -0.110
local terms energy: -99.461377
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -23.308
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -24.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -294.473044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.473044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.473044 (E_RNA)
where:
Base-Base interactions energy: -202.985
where: short stacking energy: -90.265
Base-Backbone interact. energy: -0.044
local terms energy: -91.444318
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -23.141
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -25.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -263.016277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.016277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.016277 (E_RNA)
where:
Base-Base interactions energy: -180.104
where: short stacking energy: -70.406
Base-Backbone interact. energy: -1.017
local terms energy: -81.895395
where:
bonds (distance) C4'-P energy: -18.966
bonds (distance) P-C4' energy: -21.130
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -13.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -177.953476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.953476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.953476 (E_RNA)
where:
Base-Base interactions energy: -99.284
where: short stacking energy: -48.791
Base-Backbone interact. energy: 0.033
local terms energy: -78.703067
where:
bonds (distance) C4'-P energy: -19.164
bonds (distance) P-C4' energy: -18.335
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -14.274
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: 7, replica: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -167.206236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.206236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.206236 (E_RNA)
where:
Base-Base interactions energy: -98.110
where: short stacking energy: -45.760
Base-Backbone interact. energy: -0.485
local terms energy: -68.611705
where:
bonds (distance) C4'-P energy: -22.343
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -10.156
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: 3
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -110.379690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.379690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.379690 (E_RNA)
where:
Base-Base interactions energy: -38.275
where: short stacking energy: -38.275
Base-Backbone interact. energy: -0.045
local terms energy: -72.059232
where:
bonds (distance) C4'-P energy: -17.789
bonds (distance) P-C4' energy: -19.948
flat angles C4'-P-C4' energy: -23.247
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -0.548
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: 8
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -109.278543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.278543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.278543 (E_RNA)
where:
Base-Base interactions energy: -47.175
where: short stacking energy: -40.308
Base-Backbone interact. energy: -0.066
local terms energy: -62.037443
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -4.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -99.516698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.516698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.516698 (E_RNA)
where:
Base-Base interactions energy: -38.452
where: short stacking energy: -32.651
Base-Backbone interact. energy: 1.048
local terms energy: -62.112830
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -4.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -322.784455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.784455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.784455 (E_RNA)
where:
Base-Base interactions energy: -222.300
where: short stacking energy: -95.606
Base-Backbone interact. energy: -0.515
local terms energy: -99.969662
where:
bonds (distance) C4'-P energy: -22.274
bonds (distance) P-C4' energy: -19.245
flat angles C4'-P-C4' energy: -21.824
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -24.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -327.431890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.431890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.431890 (E_RNA)
where:
Base-Base interactions energy: -220.038
where: short stacking energy: -96.664
Base-Backbone interact. energy: -0.086
local terms energy: -107.308418
where:
bonds (distance) C4'-P energy: -18.353
bonds (distance) P-C4' energy: -20.941
flat angles C4'-P-C4' energy: -21.038
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -32.006
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: 5
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -294.055725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.055725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.055725 (E_RNA)
where:
Base-Base interactions energy: -196.072
where: short stacking energy: -81.658
Base-Backbone interact. energy: 0.419
local terms energy: -98.402907
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -20.330
flat angles C4'-P-C4' energy: -20.394
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -26.006
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: 7
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -306.364041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.364041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.364041 (E_RNA)
where:
Base-Base interactions energy: -214.109
where: short stacking energy: -93.393
Base-Backbone interact. energy: 2.083
local terms energy: -94.337999
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -19.786
flat angles C4'-P-C4' energy: -20.216
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -23.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -255.922985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.922985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.922985 (E_RNA)
where:
Base-Base interactions energy: -165.248
where: short stacking energy: -59.799
Base-Backbone interact. energy: 0.141
local terms energy: -90.815686
where:
bonds (distance) C4'-P energy: -18.030
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -18.754
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: 4
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -187.465927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.465927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.465927 (E_RNA)
where:
Base-Base interactions energy: -114.916
where: short stacking energy: -59.338
Base-Backbone interact. energy: -0.708
local terms energy: -71.841188
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -22.115
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -7.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -179.706330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.706330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.706330 (E_RNA)
where:
Base-Base interactions energy: -104.960
where: short stacking energy: -51.934
Base-Backbone interact. energy: 1.652
local terms energy: -76.398634
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -12.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -109.445240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.445240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.445240 (E_RNA)
where:
Base-Base interactions energy: -45.539
where: short stacking energy: -38.346
Base-Backbone interact. energy: -0.211
local terms energy: -63.694717
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -19.397
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -3.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -128.570527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.570527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.570527 (E_RNA)
where:
Base-Base interactions energy: -63.342
where: short stacking energy: -41.064
Base-Backbone interact. energy: -0.157
local terms energy: -65.071869
where:
bonds (distance) C4'-P energy: -18.298
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -5.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -119.635658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.635658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.635658 (E_RNA)
where:
Base-Base interactions energy: -60.067
where: short stacking energy: -30.203
Base-Backbone interact. energy: -0.741
local terms energy: -58.827931
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -19.641
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: 0.535
tors. eta vs tors. theta energy: -8.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -332.297411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.297411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.297411 (E_RNA)
where:
Base-Base interactions energy: -226.453
where: short stacking energy: -104.317
Base-Backbone interact. energy: -0.555
local terms energy: -105.290145
where:
bonds (distance) C4'-P energy: -18.611
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -20.418
flat angles P-C4'-P energy: -18.483
tors. eta vs tors. theta energy: -29.578
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: 5
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -300.895033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.895033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.895033 (E_RNA)
where:
Base-Base interactions energy: -197.801
where: short stacking energy: -87.485
Base-Backbone interact. energy: -0.935
local terms energy: -102.158894
where:
bonds (distance) C4'-P energy: -20.621
bonds (distance) P-C4' energy: -24.043
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: -22.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -330.918236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.918236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.918236 (E_RNA)
where:
Base-Base interactions energy: -222.751
where: short stacking energy: -100.292
Base-Backbone interact. energy: -0.635
local terms energy: -107.532548
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -23.242
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -27.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -293.957314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.957314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.957314 (E_RNA)
where:
Base-Base interactions energy: -203.789
where: short stacking energy: -91.066
Base-Backbone interact. energy: -0.447
local terms energy: -89.721266
where:
bonds (distance) C4'-P energy: -17.657
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -22.430
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -22.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -245.876494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.876494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.876494 (E_RNA)
where:
Base-Base interactions energy: -167.184
where: short stacking energy: -58.352
Base-Backbone interact. energy: 1.041
local terms energy: -79.733521
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -13.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -198.091375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.091375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.091375 (E_RNA)
where:
Base-Base interactions energy: -118.860
where: short stacking energy: -46.531
Base-Backbone interact. energy: -0.566
local terms energy: -78.665414
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -15.064
tors. eta vs tors. theta energy: -14.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -201.290137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.290137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.290137 (E_RNA)
where:
Base-Base interactions energy: -128.019
where: short stacking energy: -53.325
Base-Backbone interact. energy: -0.191
local terms energy: -73.080638
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -20.470
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -6.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -109.691677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.691677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.691677 (E_RNA)
where:
Base-Base interactions energy: -39.548
where: short stacking energy: -37.927
Base-Backbone interact. energy: -0.232
local terms energy: -69.911412
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -23.712
flat angles C4'-P-C4' energy: -21.062
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -2.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -99.978026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.978026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.978026 (E_RNA)
where:
Base-Base interactions energy: -41.738
where: short stacking energy: -32.056
Base-Backbone interact. energy: -0.276
local terms energy: -57.963862
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -19.151
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: 1.874
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: 1
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -105.618523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.618523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.618523 (E_RNA)
where:
Base-Base interactions energy: -46.522
where: short stacking energy: -29.133
Base-Backbone interact. energy: 0.008
local terms energy: -59.104159
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -19.969
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: 2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -324.805530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.805530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.805530 (E_RNA)
where:
Base-Base interactions energy: -220.905
where: short stacking energy: -92.683
Base-Backbone interact. energy: -0.862
local terms energy: -103.038310
where:
bonds (distance) C4'-P energy: -21.160
bonds (distance) P-C4' energy: -19.508
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -17.181
tors. eta vs tors. theta energy: -26.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -290.684687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.684687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.684687 (E_RNA)
where:
Base-Base interactions energy: -191.277
where: short stacking energy: -73.232
Base-Backbone interact. energy: -0.214
local terms energy: -99.193514
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -21.974
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -14.960
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: 3, replica: 7
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -295.735246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.735246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.735246 (E_RNA)
where:
Base-Base interactions energy: -197.751
where: short stacking energy: -87.215
Base-Backbone interact. energy: -0.296
local terms energy: -97.688535
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -13.918
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: 4, replica: 9
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -315.026736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.026736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.026736 (E_RNA)
where:
Base-Base interactions energy: -217.164
where: short stacking energy: -91.168
Base-Backbone interact. energy: -0.107
local terms energy: -97.754976
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -21.687
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -25.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -277.359353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.359353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.359353 (E_RNA)
where:
Base-Base interactions energy: -204.633
where: short stacking energy: -73.593
Base-Backbone interact. energy: -0.364
local terms energy: -72.362566
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -17.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -217.524281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.524281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.524281 (E_RNA)
where:
Base-Base interactions energy: -138.050
where: short stacking energy: -71.357
Base-Backbone interact. energy: 0.413
local terms energy: -79.886995
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -20.284
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -19.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -202.099252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.099252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.099252 (E_RNA)
where:
Base-Base interactions energy: -124.445
where: short stacking energy: -62.215
Base-Backbone interact. energy: 0.886
local terms energy: -78.539733
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -15.893
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: 3
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -106.577474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.577474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.577474 (E_RNA)
where:
Base-Base interactions energy: -35.471
where: short stacking energy: -31.071
Base-Backbone interact. energy: 0.155
local terms energy: -71.261423
where:
bonds (distance) C4'-P energy: -20.401
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -20.966
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: 0.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -140.777337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.777337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.777337 (E_RNA)
where:
Base-Base interactions energy: -72.867
where: short stacking energy: -50.753
Base-Backbone interact. energy: -1.461
local terms energy: -66.449736
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -9.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -104.290829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.290829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.290829 (E_RNA)
where:
Base-Base interactions energy: -42.175
where: short stacking energy: -37.581
Base-Backbone interact. energy: -0.324
local terms energy: -61.791531
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: 1.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -327.661936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.661936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.661936 (E_RNA)
where:
Base-Base interactions energy: -222.728
where: short stacking energy: -96.947
Base-Backbone interact. energy: -0.214
local terms energy: -104.719459
where:
bonds (distance) C4'-P energy: -21.611
bonds (distance) P-C4' energy: -24.421
flat angles C4'-P-C4' energy: -23.235
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -24.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -297.924827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.924827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.924827 (E_RNA)
where:
Base-Base interactions energy: -200.360
where: short stacking energy: -97.010
Base-Backbone interact. energy: -0.508
local terms energy: -97.057467
where:
bonds (distance) C4'-P energy: -21.243
bonds (distance) P-C4' energy: -22.832
flat angles C4'-P-C4' energy: -22.100
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -21.532
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: 3, replica: 5
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -302.747893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.747893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.747893 (E_RNA)
where:
Base-Base interactions energy: -202.804
where: short stacking energy: -80.192
Base-Backbone interact. energy: -0.417
local terms energy: -99.527061
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -21.596
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -15.191
tors. eta vs tors. theta energy: -22.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -307.787136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.787136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.787136 (E_RNA)
where:
Base-Base interactions energy: -203.108
where: short stacking energy: -80.120
Base-Backbone interact. energy: -0.697
local terms energy: -103.982717
where:
bonds (distance) C4'-P energy: -21.433
bonds (distance) P-C4' energy: -22.629
flat angles C4'-P-C4' energy: -23.504
flat angles P-C4'-P energy: -14.332
tors. eta vs tors. theta energy: -22.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -289.632691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.632691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.632691 (E_RNA)
where:
Base-Base interactions energy: -202.117
where: short stacking energy: -75.633
Base-Backbone interact. energy: -0.545
local terms energy: -86.971461
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -21.631
flat angles C4'-P-C4' energy: -22.040
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -18.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -232.868337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.868337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.868337 (E_RNA)
where:
Base-Base interactions energy: -145.629
where: short stacking energy: -57.917
Base-Backbone interact. energy: -0.814
local terms energy: -86.424976
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -19.431
flat angles P-C4'-P energy: -16.242
tors. eta vs tors. theta energy: -18.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -209.634254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.634254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.634254 (E_RNA)
where:
Base-Base interactions energy: -127.639
where: short stacking energy: -63.180
Base-Backbone interact. energy: 0.333
local terms energy: -82.327886
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -21.303
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -15.503
tors. eta vs tors. theta energy: -14.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -160.036896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.036896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.036896 (E_RNA)
where:
Base-Base interactions energy: -92.199
where: short stacking energy: -50.738
Base-Backbone interact. energy: -0.221
local terms energy: -67.616747
where:
bonds (distance) C4'-P energy: -20.628
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -9.237
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: 3
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -117.464406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.464406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.464406 (E_RNA)
where:
Base-Base interactions energy: -43.065
where: short stacking energy: -39.145
Base-Backbone interact. energy: 0.079
local terms energy: -74.478401
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -19.350
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -14.307
tors. eta vs tors. theta energy: -4.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -102.912961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.912961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.912961 (E_RNA)
where:
Base-Base interactions energy: -37.273
where: short stacking energy: -31.809
Base-Backbone interact. energy: -0.140
local terms energy: -65.500427
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -19.590
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: 0.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -332.213713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.213713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.213713 (E_RNA)
where:
Base-Base interactions energy: -226.201
where: short stacking energy: -103.655
Base-Backbone interact. energy: -0.095
local terms energy: -105.918067
where:
bonds (distance) C4'-P energy: -18.843
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -25.250
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -28.776
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: 7
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -303.596288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.596288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.596288 (E_RNA)
where:
Base-Base interactions energy: -206.189
where: short stacking energy: -91.052
Base-Backbone interact. energy: -0.021
local terms energy: -97.386199
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -22.859
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -24.670
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: 9
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -320.549389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.549389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.549389 (E_RNA)
where:
Base-Base interactions energy: -225.091
where: short stacking energy: -90.171
Base-Backbone interact. energy: 0.140
local terms energy: -95.599051
where:
bonds (distance) C4'-P energy: -20.872
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -19.822
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -24.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -302.284132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.284132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.284132 (E_RNA)
where:
Base-Base interactions energy: -200.241
where: short stacking energy: -81.116
Base-Backbone interact. energy: -0.173
local terms energy: -101.870146
where:
bonds (distance) C4'-P energy: -22.985
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -19.238
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -24.528
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: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -282.774923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.774923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.774923 (E_RNA)
where:
Base-Base interactions energy: -189.531
where: short stacking energy: -75.888
Base-Backbone interact. energy: 0.852
local terms energy: -94.095445
where:
bonds (distance) C4'-P energy: -20.642
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -22.629
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -256.678535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.678535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.678535 (E_RNA)
where:
Base-Base interactions energy: -164.221
where: short stacking energy: -75.225
Base-Backbone interact. energy: -0.402
local terms energy: -92.055600
where:
bonds (distance) C4'-P energy: -18.353
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -20.140
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -24.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -211.400401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.400401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.400401 (E_RNA)
where:
Base-Base interactions energy: -134.457
where: short stacking energy: -54.623
Base-Backbone interact. energy: 1.079
local terms energy: -78.022527
where:
bonds (distance) C4'-P energy: -20.700
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -15.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -177.108968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.108968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.108968 (E_RNA)
where:
Base-Base interactions energy: -100.579
where: short stacking energy: -58.474
Base-Backbone interact. energy: -0.359
local terms energy: -76.170899
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -20.152
flat angles C4'-P-C4' energy: -21.143
flat angles P-C4'-P energy: -5.758
tors. eta vs tors. theta energy: -13.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -108.842739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.842739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.842739 (E_RNA)
where:
Base-Base interactions energy: -45.744
where: short stacking energy: -37.524
Base-Backbone interact. energy: -0.478
local terms energy: -62.620490
where:
bonds (distance) C4'-P energy: -5.259
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -23.281
flat angles P-C4'-P energy: -5.514
tors. eta vs tors. theta energy: -8.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -99.819267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.819267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.819267 (E_RNA)
where:
Base-Base interactions energy: -41.390
where: short stacking energy: -34.298
Base-Backbone interact. energy: -0.922
local terms energy: -57.506878
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -9.225
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -3.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -321.356109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.356109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.356109 (E_RNA)
where:
Base-Base interactions energy: -221.988
where: short stacking energy: -93.657
Base-Backbone interact. energy: -0.204
local terms energy: -99.163649
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -19.407
tors. eta vs tors. theta energy: -23.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -313.691787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.691787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.691787 (E_RNA)
where:
Base-Base interactions energy: -208.789
where: short stacking energy: -89.892
Base-Backbone interact. energy: -0.750
local terms energy: -104.153375
where:
bonds (distance) C4'-P energy: -21.151
bonds (distance) P-C4' energy: -25.290
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -26.756
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: 7
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -298.847636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.847636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.847636 (E_RNA)
where:
Base-Base interactions energy: -205.492
where: short stacking energy: -85.894
Base-Backbone interact. energy: -0.286
local terms energy: -93.069881
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -19.248
flat angles C4'-P-C4' energy: -21.985
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -22.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -280.491749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.491749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.491749 (E_RNA)
where:
Base-Base interactions energy: -203.855
where: short stacking energy: -84.113
Base-Backbone interact. energy: 0.755
local terms energy: -77.392309
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -20.787
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -1.661
tors. eta vs tors. theta energy: -19.069
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: 251
Temperature: 1.100000
Total energy: -252.925243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.925243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.925243 (E_RNA)
where:
Base-Base interactions energy: -165.914
where: short stacking energy: -73.995
Base-Backbone interact. energy: -0.427
local terms energy: -86.584646
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -22.217
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -16.184
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: 6, replica: 4
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -219.174357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.174357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.174357 (E_RNA)
where:
Base-Base interactions energy: -152.043
where: short stacking energy: -73.108
Base-Backbone interact. energy: -0.562
local terms energy: -66.568736
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -18.896
flat angles P-C4'-P energy: -8.214
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: 7, replica: 6
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -218.891009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.891009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.891009 (E_RNA)
where:
Base-Base interactions energy: -136.376
where: short stacking energy: -72.370
Base-Backbone interact. energy: -0.015
local terms energy: -82.499525
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -20.073
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: -16.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -161.627226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.627226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.627226 (E_RNA)
where:
Base-Base interactions energy: -92.588
where: short stacking energy: -43.660
Base-Backbone interact. energy: -1.195
local terms energy: -67.844540
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -23.787
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -7.159
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: 9, replica: 8
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -109.407213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.407213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.407213 (E_RNA)
where:
Base-Base interactions energy: -47.495
where: short stacking energy: -36.600
Base-Backbone interact. energy: -0.111
local terms energy: -61.800620
where:
bonds (distance) C4'-P energy: -20.708
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -8.513
flat angles P-C4'-P energy: -13.883
tors. eta vs tors. theta energy: -0.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -98.056994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.056994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.056994 (E_RNA)
where:
Base-Base interactions energy: -35.775
where: short stacking energy: -23.506
Base-Backbone interact. energy: -0.345
local terms energy: -61.937463
where:
bonds (distance) C4'-P energy: -18.634
bonds (distance) P-C4' energy: -22.871
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: 3.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -323.492658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.492658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.492658 (E_RNA)
where:
Base-Base interactions energy: -220.131
where: short stacking energy: -88.565
Base-Backbone interact. energy: -1.180
local terms energy: -102.181958
where:
bonds (distance) C4'-P energy: -22.278
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -21.577
flat angles P-C4'-P energy: -17.224
tors. eta vs tors. theta energy: -22.013
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: 2
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -323.975526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.975526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.975526 (E_RNA)
where:
Base-Base interactions energy: -220.682
where: short stacking energy: -97.869
Base-Backbone interact. energy: -0.339
local terms energy: -102.953878
where:
bonds (distance) C4'-P energy: -22.327
bonds (distance) P-C4' energy: -21.890
flat angles C4'-P-C4' energy: -22.046
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -23.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -278.882038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.882038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.882038 (E_RNA)
where:
Base-Base interactions energy: -185.974
where: short stacking energy: -79.412
Base-Backbone interact. energy: -0.233
local terms energy: -92.674211
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -15.623
tors. eta vs tors. theta energy: -20.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -306.124173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.124173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.124173 (E_RNA)
where:
Base-Base interactions energy: -207.866
where: short stacking energy: -79.721
Base-Backbone interact. energy: -0.135
local terms energy: -98.122652
where:
bonds (distance) C4'-P energy: -21.267
bonds (distance) P-C4' energy: -22.717
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -15.275
tors. eta vs tors. theta energy: -21.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -270.521909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.521909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.521909 (E_RNA)
where:
Base-Base interactions energy: -179.743
where: short stacking energy: -77.219
Base-Backbone interact. energy: 1.398
local terms energy: -92.176806
where:
bonds (distance) C4'-P energy: -20.501
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -19.671
flat angles P-C4'-P energy: -14.157
tors. eta vs tors. theta energy: -24.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -209.416196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.416196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.416196 (E_RNA)
where:
Base-Base interactions energy: -130.394
where: short stacking energy: -80.478
Base-Backbone interact. energy: 1.194
local terms energy: -80.216308
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -19.073
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -17.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -220.806467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.806467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.806467 (E_RNA)
where:
Base-Base interactions energy: -136.138
where: short stacking energy: -70.613
Base-Backbone interact. energy: 0.549
local terms energy: -85.217525
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -12.854
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: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -125.410129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.410129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.410129 (E_RNA)
where:
Base-Base interactions energy: -61.803
where: short stacking energy: -45.186
Base-Backbone interact. energy: 1.166
local terms energy: -64.773927
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -18.771
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -3.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -109.281733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.281733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.281733 (E_RNA)
where:
Base-Base interactions energy: -40.396
where: short stacking energy: -32.268
Base-Backbone interact. energy: -0.293
local terms energy: -68.592626
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -21.203
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -0.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -103.147385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.147385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.147385 (E_RNA)
where:
Base-Base interactions energy: -39.107
where: short stacking energy: -39.107
Base-Backbone interact. energy: -0.143
local terms energy: -63.897656
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -20.646
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -13.656
tors. eta vs tors. theta energy: -1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -321.932949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.932949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.932949 (E_RNA)
where:
Base-Base interactions energy: -219.944
where: short stacking energy: -92.329
Base-Backbone interact. energy: -0.111
local terms energy: -101.877889
where:
bonds (distance) C4'-P energy: -19.247
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -21.843
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -28.488
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: 2, replica: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -326.101090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.101090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.101090 (E_RNA)
where:
Base-Base interactions energy: -222.216
where: short stacking energy: -97.261
Base-Backbone interact. energy: 0.211
local terms energy: -104.096210
where:
bonds (distance) C4'-P energy: -21.943
bonds (distance) P-C4' energy: -16.782
flat angles C4'-P-C4' energy: -25.235
flat angles P-C4'-P energy: -15.174
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: 253
Temperature: 1.000000
Total energy: -291.516676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.516676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.516676 (E_RNA)
where:
Base-Base interactions energy: -200.399
where: short stacking energy: -69.280
Base-Backbone interact. energy: -0.260
local terms energy: -90.857525
where:
bonds (distance) C4'-P energy: -21.325
bonds (distance) P-C4' energy: -25.076
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -16.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -305.587714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.587714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.587714 (E_RNA)
where:
Base-Base interactions energy: -207.616
where: short stacking energy: -85.456
Base-Backbone interact. energy: -0.741
local terms energy: -97.231047
where:
bonds (distance) C4'-P energy: -21.288
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -20.297
flat angles P-C4'-P energy: -13.435
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: 5, replica: 5
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -271.515468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.515468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.515468 (E_RNA)
where:
Base-Base interactions energy: -178.893
where: short stacking energy: -87.080
Base-Backbone interact. energy: -0.096
local terms energy: -92.526848
where:
bonds (distance) C4'-P energy: -19.438
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -22.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -220.796457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.796457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.796457 (E_RNA)
where:
Base-Base interactions energy: -135.376
where: short stacking energy: -69.840
Base-Backbone interact. energy: -0.731
local terms energy: -84.688978
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -19.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -205.001275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.001275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.001275 (E_RNA)
where:
Base-Base interactions energy: -128.064
where: short stacking energy: -52.381
Base-Backbone interact. energy: -0.470
local terms energy: -76.467382
where:
bonds (distance) C4'-P energy: -22.052
bonds (distance) P-C4' energy: -19.606
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -5.066
tors. eta vs tors. theta energy: -10.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -111.831834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.831834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.831834 (E_RNA)
where:
Base-Base interactions energy: -33.391
where: short stacking energy: -32.740
Base-Backbone interact. energy: -0.277
local terms energy: -78.163130
where:
bonds (distance) C4'-P energy: -20.444
bonds (distance) P-C4' energy: -23.383
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -4.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -102.755674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.755674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.755674 (E_RNA)
where:
Base-Base interactions energy: -32.844
where: short stacking energy: -28.107
Base-Backbone interact. energy: -0.772
local terms energy: -69.139539
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -22.216
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -4.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -101.000761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.000761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.000761 (E_RNA)
where:
Base-Base interactions energy: -37.540
where: short stacking energy: -33.795
Base-Backbone interact. energy: -0.032
local terms energy: -63.429222
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -5.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -335.361897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.361897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.361897 (E_RNA)
where:
Base-Base interactions energy: -224.467
where: short stacking energy: -97.369
Base-Backbone interact. energy: 1.111
local terms energy: -112.006064
where:
bonds (distance) C4'-P energy: -23.352
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -24.517
flat angles P-C4'-P energy: -17.488
tors. eta vs tors. theta energy: -26.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -318.465239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.465239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.465239 (E_RNA)
where:
Base-Base interactions energy: -213.786
where: short stacking energy: -94.867
Base-Backbone interact. energy: -0.424
local terms energy: -104.255045
where:
bonds (distance) C4'-P energy: -22.493
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -19.093
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: -28.294
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: 7
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -308.883233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.883233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.883233 (E_RNA)
where:
Base-Base interactions energy: -213.177
where: short stacking energy: -87.144
Base-Backbone interact. energy: -0.542
local terms energy: -95.164192
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -21.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -276.265317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.265317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.265317 (E_RNA)
where:
Base-Base interactions energy: -187.697
where: short stacking energy: -72.135
Base-Backbone interact. energy: -1.041
local terms energy: -87.527435
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -20.575
flat angles C4'-P-C4' energy: -20.218
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -20.680
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: 5
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -276.796173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.796173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.796173 (E_RNA)
where:
Base-Base interactions energy: -182.694
where: short stacking energy: -84.758
Base-Backbone interact. energy: -0.405
local terms energy: -93.696253
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -16.034
flat angles C4'-P-C4' energy: -22.769
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -25.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -191.069944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.069944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.069944 (E_RNA)
where:
Base-Base interactions energy: -107.600
where: short stacking energy: -54.513
Base-Backbone interact. energy: 0.875
local terms energy: -84.344395
where:
bonds (distance) C4'-P energy: -21.060
bonds (distance) P-C4' energy: -21.988
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -15.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -193.942443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.942443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.942443 (E_RNA)
where:
Base-Base interactions energy: -120.237
where: short stacking energy: -54.038
Base-Backbone interact. energy: -0.500
local terms energy: -73.205972
where:
bonds (distance) C4'-P energy: -19.227
bonds (distance) P-C4' energy: -22.994
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -2.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -132.115600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.115600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.115600 (E_RNA)
where:
Base-Base interactions energy: -64.867
where: short stacking energy: -48.893
Base-Backbone interact. energy: 0.023
local terms energy: -67.271512
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -8.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -105.563088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.563088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.563088 (E_RNA)
where:
Base-Base interactions energy: -39.971
where: short stacking energy: -35.966
Base-Backbone interact. energy: -0.031
local terms energy: -65.561095
where:
bonds (distance) C4'-P energy: -18.407
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -16.657
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: 8
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -95.336008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.336008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.336008 (E_RNA)
where:
Base-Base interactions energy: -31.423
where: short stacking energy: -21.104
Base-Backbone interact. energy: -0.156
local terms energy: -63.757528
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -18.787
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: 2.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -328.793001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.793001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.793001 (E_RNA)
where:
Base-Base interactions energy: -224.978
where: short stacking energy: -94.816
Base-Backbone interact. energy: 0.565
local terms energy: -104.380797
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -25.440
flat angles P-C4'-P energy: -16.723
tors. eta vs tors. theta energy: -23.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -323.413859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.413859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.413859 (E_RNA)
where:
Base-Base interactions energy: -212.673
where: short stacking energy: -102.179
Base-Backbone interact. energy: 0.813
local terms energy: -111.553260
where:
bonds (distance) C4'-P energy: -20.456
bonds (distance) P-C4' energy: -25.094
flat angles C4'-P-C4' energy: -22.343
flat angles P-C4'-P energy: -16.264
tors. eta vs tors. theta energy: -27.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -317.288777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.288777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.288777 (E_RNA)
where:
Base-Base interactions energy: -217.137
where: short stacking energy: -90.967
Base-Backbone interact. energy: -1.087
local terms energy: -99.065359
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -23.528
flat angles P-C4'-P energy: -16.725
tors. eta vs tors. theta energy: -22.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -286.849581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.849581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.849581 (E_RNA)
where:
Base-Base interactions energy: -202.875
where: short stacking energy: -83.093
Base-Backbone interact. energy: -0.188
local terms energy: -83.786916
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -17.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -268.497557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.497557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.497557 (E_RNA)
where:
Base-Base interactions energy: -174.007
where: short stacking energy: -65.674
Base-Backbone interact. energy: -0.733
local terms energy: -93.757552
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -23.236
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -23.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -184.492759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.492759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.492759 (E_RNA)
where:
Base-Base interactions energy: -100.017
where: short stacking energy: -54.461
Base-Backbone interact. energy: -0.146
local terms energy: -84.329550
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -21.863
flat angles C4'-P-C4' energy: -21.016
flat angles P-C4'-P energy: -10.553
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: 7, replica: 4
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -182.342686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.342686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.342686 (E_RNA)
where:
Base-Base interactions energy: -119.046
where: short stacking energy: -44.057
Base-Backbone interact. energy: 0.088
local terms energy: -63.385314
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -17.869
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -3.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -123.602340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.602340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.602340 (E_RNA)
where:
Base-Base interactions energy: -52.231
where: short stacking energy: -52.231
Base-Backbone interact. energy: -0.409
local terms energy: -70.962412
where:
bonds (distance) C4'-P energy: -19.165
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -16.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -109.536483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.536483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.536483 (E_RNA)
where:
Base-Base interactions energy: -48.058
where: short stacking energy: -32.263
Base-Backbone interact. energy: -0.096
local terms energy: -61.382171
where:
bonds (distance) C4'-P energy: -21.668
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -5.750
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -0.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -110.980270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.980270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.980270 (E_RNA)
where:
Base-Base interactions energy: -36.714
where: short stacking energy: -33.613
Base-Backbone interact. energy: -1.247
local terms energy: -73.019294
where:
bonds (distance) C4'-P energy: -22.936
bonds (distance) P-C4' energy: -19.251
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -12.286
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: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -333.743895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.743895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.743895 (E_RNA)
where:
Base-Base interactions energy: -228.477
where: short stacking energy: -102.058
Base-Backbone interact. energy: -0.109
local terms energy: -105.157923
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -23.145
flat angles P-C4'-P energy: -14.069
tors. eta vs tors. theta energy: -27.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -336.177632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.177632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.177632 (E_RNA)
where:
Base-Base interactions energy: -220.986
where: short stacking energy: -98.228
Base-Backbone interact. energy: -0.156
local terms energy: -115.035235
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -24.642
flat angles C4'-P-C4' energy: -23.379
flat angles P-C4'-P energy: -16.192
tors. eta vs tors. theta energy: -31.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -318.989110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.989110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.989110 (E_RNA)
where:
Base-Base interactions energy: -222.465
where: short stacking energy: -94.179
Base-Backbone interact. energy: -0.281
local terms energy: -96.243203
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -24.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -274.556003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.556003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.556003 (E_RNA)
where:
Base-Base interactions energy: -182.053
where: short stacking energy: -75.520
Base-Backbone interact. energy: -0.658
local terms energy: -91.844595
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -21.086
flat angles P-C4'-P energy: -17.543
tors. eta vs tors. theta energy: -20.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -294.542329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.542329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.542329 (E_RNA)
where:
Base-Base interactions energy: -203.779
where: short stacking energy: -83.753
Base-Backbone interact. energy: -0.549
local terms energy: -90.214232
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -20.568
flat angles C4'-P-C4' energy: -18.368
flat angles P-C4'-P energy: -14.315
tors. eta vs tors. theta energy: -19.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -247.182527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.182527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.182527 (E_RNA)
where:
Base-Base interactions energy: -166.166
where: short stacking energy: -61.658
Base-Backbone interact. energy: -0.868
local terms energy: -80.148376
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -17.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -179.558807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.558807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.558807 (E_RNA)
where:
Base-Base interactions energy: -101.849
where: short stacking energy: -47.687
Base-Backbone interact. energy: -0.142
local terms energy: -77.568436
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -13.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -136.855313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.855313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.855313 (E_RNA)
where:
Base-Base interactions energy: -56.892
where: short stacking energy: -50.808
Base-Backbone interact. energy: -0.724
local terms energy: -79.239835
where:
bonds (distance) C4'-P energy: -18.163
bonds (distance) P-C4' energy: -18.292
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -8.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -103.852506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.852506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.852506 (E_RNA)
where:
Base-Base interactions energy: -32.710
where: short stacking energy: -29.001
Base-Backbone interact. energy: -0.206
local terms energy: -70.936143
where:
bonds (distance) C4'-P energy: -19.400
bonds (distance) P-C4' energy: -22.070
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -5.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -108.968050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.968050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.968050 (E_RNA)
where:
Base-Base interactions energy: -39.723
where: short stacking energy: -39.425
Base-Backbone interact. energy: -0.190
local terms energy: -69.055234
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -21.457
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -6.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -330.330888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.330888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.330888 (E_RNA)
where:
Base-Base interactions energy: -223.477
where: short stacking energy: -92.644
Base-Backbone interact. energy: -1.181
local terms energy: -105.673316
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -22.116
flat angles P-C4'-P energy: -17.783
tors. eta vs tors. theta energy: -29.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -328.781161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.781161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.781161 (E_RNA)
where:
Base-Base interactions energy: -229.113
where: short stacking energy: -96.828
Base-Backbone interact. energy: -0.106
local terms energy: -99.561987
where:
bonds (distance) C4'-P energy: -18.899
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -16.720
tors. eta vs tors. theta energy: -23.151
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: 7
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -319.766271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.766271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.766271 (E_RNA)
where:
Base-Base interactions energy: -215.207
where: short stacking energy: -99.101
Base-Backbone interact. energy: -0.516
local terms energy: -104.043582
where:
bonds (distance) C4'-P energy: -19.276
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -28.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -302.560032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.560032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.560032 (E_RNA)
where:
Base-Base interactions energy: -202.143
where: short stacking energy: -85.626
Base-Backbone interact. energy: 0.671
local terms energy: -101.088539
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -23.237
flat angles C4'-P-C4' energy: -18.746
flat angles P-C4'-P energy: -15.629
tors. eta vs tors. theta energy: -24.892
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: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -264.138589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.138589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.138589 (E_RNA)
where:
Base-Base interactions energy: -181.884
where: short stacking energy: -68.700
Base-Backbone interact. energy: -0.091
local terms energy: -82.163272
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -18.307
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -254.523530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.523530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.523530 (E_RNA)
where:
Base-Base interactions energy: -172.668
where: short stacking energy: -78.207
Base-Backbone interact. energy: -0.970
local terms energy: -80.885852
where:
bonds (distance) C4'-P energy: -7.347
bonds (distance) P-C4' energy: -20.919
flat angles C4'-P-C4' energy: -19.549
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: -18.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -179.791782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.791782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.791782 (E_RNA)
where:
Base-Base interactions energy: -99.942
where: short stacking energy: -61.933
Base-Backbone interact. energy: -0.254
local terms energy: -79.595816
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -15.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -104.953258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.953258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.953258 (E_RNA)
where:
Base-Base interactions energy: -39.518
where: short stacking energy: -40.088
Base-Backbone interact. energy: -0.215
local terms energy: -65.220961
where:
bonds (distance) C4'-P energy: -13.401
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -4.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -101.662804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.662804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.662804 (E_RNA)
where:
Base-Base interactions energy: -31.868
where: short stacking energy: -31.868
Base-Backbone interact. energy: -0.276
local terms energy: -69.518890
where:
bonds (distance) C4'-P energy: -23.685
bonds (distance) P-C4' energy: -19.923
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -2.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -96.721466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.721466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.721466 (E_RNA)
where:
Base-Base interactions energy: -36.572
where: short stacking energy: -30.650
Base-Backbone interact. energy: -0.343
local terms energy: -59.806441
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: 0.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -339.897505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.897505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.897505 (E_RNA)
where:
Base-Base interactions energy: -228.689
where: short stacking energy: -93.342
Base-Backbone interact. energy: 0.236
local terms energy: -111.444902
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -22.579
flat angles C4'-P-C4' energy: -24.699
flat angles P-C4'-P energy: -15.715
tors. eta vs tors. theta energy: -26.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -329.391300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.391300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.391300 (E_RNA)
where:
Base-Base interactions energy: -222.709
where: short stacking energy: -95.070
Base-Backbone interact. energy: -0.202
local terms energy: -106.480513
where:
bonds (distance) C4'-P energy: -21.374
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -23.833
flat angles P-C4'-P energy: -16.847
tors. eta vs tors. theta energy: -28.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -298.550219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.550219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.550219 (E_RNA)
where:
Base-Base interactions energy: -199.422
where: short stacking energy: -90.544
Base-Backbone interact. energy: -0.270
local terms energy: -98.858541
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -17.994
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -17.105
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: 4, replica: 7
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -314.471998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.471998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.471998 (E_RNA)
where:
Base-Base interactions energy: -212.808
where: short stacking energy: -95.924
Base-Backbone interact. energy: 1.578
local terms energy: -103.241266
where:
bonds (distance) C4'-P energy: -17.922
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -24.463
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -28.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -276.089535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.089535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.089535 (E_RNA)
where:
Base-Base interactions energy: -183.066
where: short stacking energy: -81.217
Base-Backbone interact. energy: 0.281
local terms energy: -93.304833
where:
bonds (distance) C4'-P energy: -20.307
bonds (distance) P-C4' energy: -24.151
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -22.142
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: 10
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -260.479387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.479387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.479387 (E_RNA)
where:
Base-Base interactions energy: -177.526
where: short stacking energy: -74.778
Base-Backbone interact. energy: -1.027
local terms energy: -81.925986
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -20.744
flat angles P-C4'-P energy: -1.992
tors. eta vs tors. theta energy: -21.316
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: 4
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -183.269248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.269248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.269248 (E_RNA)
where:
Base-Base interactions energy: -112.787
where: short stacking energy: -51.117
Base-Backbone interact. energy: -0.979
local terms energy: -69.503217
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -18.141
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -9.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -144.990711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.990711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.990711 (E_RNA)
where:
Base-Base interactions energy: -74.480
where: short stacking energy: -43.771
Base-Backbone interact. energy: -0.369
local terms energy: -70.142264
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -9.522
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: 1
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -113.731853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.731853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.731853 (E_RNA)
where:
Base-Base interactions energy: -45.357
where: short stacking energy: -45.557
Base-Backbone interact. energy: 1.366
local terms energy: -69.740849
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -19.680
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -7.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -98.969692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.969692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.969692 (E_RNA)
where:
Base-Base interactions energy: -29.284
where: short stacking energy: -25.355
Base-Backbone interact. energy: -0.321
local terms energy: -69.364897
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -17.180
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -6.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -332.135159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.135159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.135159 (E_RNA)
where:
Base-Base interactions energy: -231.312
where: short stacking energy: -98.812
Base-Backbone interact. energy: -0.232
local terms energy: -100.591355
where:
bonds (distance) C4'-P energy: -20.154
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -21.919
flat angles P-C4'-P energy: -16.196
tors. eta vs tors. theta energy: -26.240
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: 259
Temperature: 0.950000
Total energy: -318.494169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.494169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.494169 (E_RNA)
where:
Base-Base interactions energy: -213.045
where: short stacking energy: -94.623
Base-Backbone interact. energy: -0.167
local terms energy: -105.281967
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -19.291
flat angles P-C4'-P energy: -17.337
tors. eta vs tors. theta energy: -28.568
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: 5
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -301.634268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.634268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.634268 (E_RNA)
where:
Base-Base interactions energy: -203.213
where: short stacking energy: -90.829
Base-Backbone interact. energy: -0.202
local terms energy: -98.219344
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -23.603
flat angles C4'-P-C4' energy: -21.451
flat angles P-C4'-P energy: -13.573
tors. eta vs tors. theta energy: -22.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -307.740814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.740814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.740814 (E_RNA)
where:
Base-Base interactions energy: -206.800
where: short stacking energy: -86.804
Base-Backbone interact. energy: -0.838
local terms energy: -100.103152
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -20.457
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -16.317
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: 5, replica: 6
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -294.747452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.747452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.747452 (E_RNA)
where:
Base-Base interactions energy: -198.054
where: short stacking energy: -93.820
Base-Backbone interact. energy: -0.031
local terms energy: -96.662350
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -19.276
flat angles C4'-P-C4' energy: -23.416
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -25.727
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: 6, replica: 10
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -243.242916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.242916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.242916 (E_RNA)
where:
Base-Base interactions energy: -165.095
where: short stacking energy: -67.268
Base-Backbone interact. energy: -0.355
local terms energy: -77.792951
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -19.411
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: 7, replica: 4
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -190.006981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.006981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.006981 (E_RNA)
where:
Base-Base interactions energy: -114.459
where: short stacking energy: -46.695
Base-Backbone interact. energy: -0.299
local terms energy: -75.249212
where:
bonds (distance) C4'-P energy: -20.758
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -8.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -117.358084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.358084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.358084 (E_RNA)
where:
Base-Base interactions energy: -52.516
where: short stacking energy: -35.692
Base-Backbone interact. energy: -0.129
local terms energy: -64.712659
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -5.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -110.312438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.312438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.312438 (E_RNA)
where:
Base-Base interactions energy: -43.480
where: short stacking energy: -33.434
Base-Backbone interact. energy: -0.175
local terms energy: -66.657766
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -10.913
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: 8
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -99.718429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.718429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.718429 (E_RNA)
where:
Base-Base interactions energy: -33.266
where: short stacking energy: -22.742
Base-Backbone interact. energy: -0.368
local terms energy: -66.083663
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: 3.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -331.679510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.679510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.679510 (E_RNA)
where:
Base-Base interactions energy: -229.761
where: short stacking energy: -100.408
Base-Backbone interact. energy: -0.850
local terms energy: -101.068044
where:
bonds (distance) C4'-P energy: -17.869
bonds (distance) P-C4' energy: -21.558
flat angles C4'-P-C4' energy: -19.846
flat angles P-C4'-P energy: -14.873
tors. eta vs tors. theta energy: -26.923
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: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -316.667820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.667820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.667820 (E_RNA)
where:
Base-Base interactions energy: -214.259
where: short stacking energy: -87.356
Base-Backbone interact. energy: -0.301
local terms energy: -102.107795
where:
bonds (distance) C4'-P energy: -19.934
bonds (distance) P-C4' energy: -21.494
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -19.819
tors. eta vs tors. theta energy: -22.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -322.231732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.231732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.231732 (E_RNA)
where:
Base-Base interactions energy: -215.598
where: short stacking energy: -87.874
Base-Backbone interact. energy: -0.831
local terms energy: -105.801956
where:
bonds (distance) C4'-P energy: -23.589
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -27.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -296.536531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.536531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.536531 (E_RNA)
where:
Base-Base interactions energy: -205.291
where: short stacking energy: -84.038
Base-Backbone interact. energy: 4.183
local terms energy: -95.428616
where:
bonds (distance) C4'-P energy: -21.213
bonds (distance) P-C4' energy: -17.673
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -15.316
tors. eta vs tors. theta energy: -22.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -260.442588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.442588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.442588 (E_RNA)
where:
Base-Base interactions energy: -173.880
where: short stacking energy: -66.121
Base-Backbone interact. energy: -0.130
local terms energy: -86.432379
where:
bonds (distance) C4'-P energy: -18.303
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: -13.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -274.637141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.637141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.637141 (E_RNA)
where:
Base-Base interactions energy: -180.166
where: short stacking energy: -74.081
Base-Backbone interact. energy: 0.473
local terms energy: -94.944263
where:
bonds (distance) C4'-P energy: -19.989
bonds (distance) P-C4' energy: -19.115
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -14.220
tors. eta vs tors. theta energy: -19.959
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: 4
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -205.367366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.367366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.367366 (E_RNA)
where:
Base-Base interactions energy: -127.886
where: short stacking energy: -58.877
Base-Backbone interact. energy: -0.880
local terms energy: -76.600868
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -10.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -119.949009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.949009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.949009 (E_RNA)
where:
Base-Base interactions energy: -47.933
where: short stacking energy: -41.671
Base-Backbone interact. energy: -0.178
local terms energy: -71.837104
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -6.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -114.681705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.681705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.681705 (E_RNA)
where:
Base-Base interactions energy: -50.905
where: short stacking energy: -42.751
Base-Backbone interact. energy: -0.072
local terms energy: -63.704862
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -7.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -102.179453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.179453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.179453 (E_RNA)
where:
Base-Base interactions energy: -33.956
where: short stacking energy: -33.726
Base-Backbone interact. energy: -0.309
local terms energy: -67.914692
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -20.721
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -1.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -341.958564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.958564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.958564 (E_RNA)
where:
Base-Base interactions energy: -239.053
where: short stacking energy: -101.910
Base-Backbone interact. energy: -0.148
local terms energy: -102.757042
where:
bonds (distance) C4'-P energy: -22.456
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -23.550
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -28.549
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: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -316.302597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.302597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.302597 (E_RNA)
where:
Base-Base interactions energy: -210.800
where: short stacking energy: -83.437
Base-Backbone interact. energy: -0.750
local terms energy: -104.753073
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -25.527
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -17.567
tors. eta vs tors. theta energy: -22.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -320.818689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.818689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.818689 (E_RNA)
where:
Base-Base interactions energy: -224.195
where: short stacking energy: -100.884
Base-Backbone interact. energy: 0.025
local terms energy: -96.648417
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -18.810
flat angles C4'-P-C4' energy: -22.373
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -24.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -258.867171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.867171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.867171 (E_RNA)
where:
Base-Base interactions energy: -177.998
where: short stacking energy: -65.418
Base-Backbone interact. energy: -0.261
local terms energy: -80.607398
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -10.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -295.893417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.893417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.893417 (E_RNA)
where:
Base-Base interactions energy: -200.728
where: short stacking energy: -90.220
Base-Backbone interact. energy: -0.352
local terms energy: -94.813790
where:
bonds (distance) C4'-P energy: -23.779
bonds (distance) P-C4' energy: -19.494
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -23.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -276.391012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.391012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.391012 (E_RNA)
where:
Base-Base interactions energy: -195.920
where: short stacking energy: -80.557
Base-Backbone interact. energy: -0.009
local terms energy: -80.461827
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -9.959
flat angles C4'-P-C4' energy: -22.091
flat angles P-C4'-P energy: -7.598
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: 7, replica: 4
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -210.570372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.570372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.570372 (E_RNA)
where:
Base-Base interactions energy: -135.402
where: short stacking energy: -57.813
Base-Backbone interact. energy: -0.355
local terms energy: -74.812956
where:
bonds (distance) C4'-P energy: -23.950
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -7.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -118.443087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.443087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.443087 (E_RNA)
where:
Base-Base interactions energy: -43.571
where: short stacking energy: -40.567
Base-Backbone interact. energy: -0.096
local terms energy: -74.775848
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -23.466
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -11.134
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: 9, replica: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -106.282567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.282567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.282567 (E_RNA)
where:
Base-Base interactions energy: -54.445
where: short stacking energy: -41.629
Base-Backbone interact. energy: -0.805
local terms energy: -51.033322
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -5.622
tors. eta vs tors. theta energy: 1.378
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: 1
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -106.363705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.363705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.363705 (E_RNA)
where:
Base-Base interactions energy: -42.760
where: short stacking energy: -41.505
Base-Backbone interact. energy: -0.388
local terms energy: -63.215730
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -2.889
tors. eta vs tors. theta energy: -7.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -330.892695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.892695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.892695 (E_RNA)
where:
Base-Base interactions energy: -227.082
where: short stacking energy: -91.729
Base-Backbone interact. energy: -0.793
local terms energy: -103.017350
where:
bonds (distance) C4'-P energy: -22.332
bonds (distance) P-C4' energy: -22.996
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -25.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -323.178561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.178561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.178561 (E_RNA)
where:
Base-Base interactions energy: -225.210
where: short stacking energy: -90.337
Base-Backbone interact. energy: -0.145
local terms energy: -97.823133
where:
bonds (distance) C4'-P energy: -22.157
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -22.501
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -22.729
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: 3, replica: 7
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -324.183700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.183700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.183700 (E_RNA)
where:
Base-Base interactions energy: -228.676
where: short stacking energy: -94.002
Base-Backbone interact. energy: -0.603
local terms energy: -94.904622
where:
bonds (distance) C4'-P energy: -19.684
bonds (distance) P-C4' energy: -20.900
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -23.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -262.079583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.079583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.079583 (E_RNA)
where:
Base-Base interactions energy: -185.972
where: short stacking energy: -61.063
Base-Backbone interact. energy: 0.038
local terms energy: -76.146078
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -21.822
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -13.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -293.223597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.223597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.223597 (E_RNA)
where:
Base-Base interactions energy: -195.494
where: short stacking energy: -81.433
Base-Backbone interact. energy: -0.594
local terms energy: -97.135522
where:
bonds (distance) C4'-P energy: -19.466
bonds (distance) P-C4' energy: -21.230
flat angles C4'-P-C4' energy: -18.182
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -24.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -278.034300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.034300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.034300 (E_RNA)
where:
Base-Base interactions energy: -193.960
where: short stacking energy: -73.499
Base-Backbone interact. energy: -0.279
local terms energy: -83.795570
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -21.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -208.514476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.514476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.514476 (E_RNA)
where:
Base-Base interactions energy: -130.481
where: short stacking energy: -57.278
Base-Backbone interact. energy: 0.163
local terms energy: -78.196436
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -17.076
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: 8
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -109.445869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.445869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.445869 (E_RNA)
where:
Base-Base interactions energy: -43.608
where: short stacking energy: -36.721
Base-Backbone interact. energy: -0.195
local terms energy: -65.642861
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -4.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -101.009753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.009753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.009753 (E_RNA)
where:
Base-Base interactions energy: -37.846
where: short stacking energy: -35.338
Base-Backbone interact. energy: -0.881
local terms energy: -62.282956
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -23.713
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: 2.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -107.125032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.125032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.125032 (E_RNA)
where:
Base-Base interactions energy: -45.535
where: short stacking energy: -32.780
Base-Backbone interact. energy: -0.281
local terms energy: -61.309107
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -19.967
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: 2.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -331.499299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.499299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.499299 (E_RNA)
where:
Base-Base interactions energy: -226.467
where: short stacking energy: -95.186
Base-Backbone interact. energy: -0.242
local terms energy: -104.790576
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -23.616
flat angles C4'-P-C4' energy: -22.274
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -27.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -332.255743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.255743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.255743 (E_RNA)
where:
Base-Base interactions energy: -226.277
where: short stacking energy: -82.841
Base-Backbone interact. energy: -0.373
local terms energy: -105.606002
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -22.025
flat angles C4'-P-C4' energy: -22.528
flat angles P-C4'-P energy: -18.485
tors. eta vs tors. theta energy: -22.879
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: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -311.033179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.033179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.033179 (E_RNA)
where:
Base-Base interactions energy: -219.291
where: short stacking energy: -86.768
Base-Backbone interact. energy: -0.199
local terms energy: -91.543208
where:
bonds (distance) C4'-P energy: -19.991
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -20.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -285.507050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.507050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.507050 (E_RNA)
where:
Base-Base interactions energy: -196.709
where: short stacking energy: -89.795
Base-Backbone interact. energy: 0.516
local terms energy: -89.313954
where:
bonds (distance) C4'-P energy: -20.634
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -21.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -265.094158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.094158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.094158 (E_RNA)
where:
Base-Base interactions energy: -178.465
where: short stacking energy: -70.201
Base-Backbone interact. energy: 0.561
local terms energy: -87.190020
where:
bonds (distance) C4'-P energy: -20.000
bonds (distance) P-C4' energy: -22.114
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -20.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -282.591780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.591780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.591780 (E_RNA)
where:
Base-Base interactions energy: -184.562
where: short stacking energy: -77.856
Base-Backbone interact. energy: 0.033
local terms energy: -98.062592
where:
bonds (distance) C4'-P energy: -21.383
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -20.735
flat angles P-C4'-P energy: -17.533
tors. eta vs tors. theta energy: -22.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -181.065572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.065572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.065572 (E_RNA)
where:
Base-Base interactions energy: -91.181
where: short stacking energy: -53.388
Base-Backbone interact. energy: -0.156
local terms energy: -89.728042
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -22.318
flat angles C4'-P-C4' energy: -20.429
flat angles P-C4'-P energy: -14.699
tors. eta vs tors. theta energy: -13.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -113.456087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.456087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.456087 (E_RNA)
where:
Base-Base interactions energy: -39.966
where: short stacking energy: -39.966
Base-Backbone interact. energy: -0.320
local terms energy: -73.169835
where:
bonds (distance) C4'-P energy: -20.436
bonds (distance) P-C4' energy: -16.155
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -6.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -106.726384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.726384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.726384 (E_RNA)
where:
Base-Base interactions energy: -47.476
where: short stacking energy: -37.696
Base-Backbone interact. energy: -1.596
local terms energy: -57.654028
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -4.838
tors. eta vs tors. theta energy: -3.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -96.645650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.645650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.645650 (E_RNA)
where:
Base-Base interactions energy: -25.515
where: short stacking energy: -22.033
Base-Backbone interact. energy: 0.149
local terms energy: -71.280253
where:
bonds (distance) C4'-P energy: -20.870
bonds (distance) P-C4' energy: -21.068
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -1.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -323.592322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.592322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.592322 (E_RNA)
where:
Base-Base interactions energy: -216.687
where: short stacking energy: -93.931
Base-Backbone interact. energy: -0.152
local terms energy: -106.753469
where:
bonds (distance) C4'-P energy: -22.219
bonds (distance) P-C4' energy: -19.638
flat angles C4'-P-C4' energy: -21.599
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -29.584
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: 2, replica: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -328.222637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.222637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.222637 (E_RNA)
where:
Base-Base interactions energy: -223.182
where: short stacking energy: -98.356
Base-Backbone interact. energy: -0.140
local terms energy: -104.900564
where:
bonds (distance) C4'-P energy: -21.051
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -23.143
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -30.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -324.463974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.463974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.463974 (E_RNA)
where:
Base-Base interactions energy: -233.234
where: short stacking energy: -86.891
Base-Backbone interact. energy: -0.081
local terms energy: -91.149228
where:
bonds (distance) C4'-P energy: -17.405
bonds (distance) P-C4' energy: -23.325
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -15.929
tors. eta vs tors. theta energy: -19.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -294.237367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.237367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.237367 (E_RNA)
where:
Base-Base interactions energy: -193.247
where: short stacking energy: -81.199
Base-Backbone interact. energy: 1.169
local terms energy: -102.160266
where:
bonds (distance) C4'-P energy: -19.769
bonds (distance) P-C4' energy: -20.640
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -25.841
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: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -283.542685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.542685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.542685 (E_RNA)
where:
Base-Base interactions energy: -188.101
where: short stacking energy: -74.108
Base-Backbone interact. energy: -0.203
local terms energy: -95.238369
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -24.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -247.894985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.894985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.894985 (E_RNA)
where:
Base-Base interactions energy: -173.871
where: short stacking energy: -60.141
Base-Backbone interact. energy: -0.142
local terms energy: -73.882022
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -9.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -188.912881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.912881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.912881 (E_RNA)
where:
Base-Base interactions energy: -115.331
where: short stacking energy: -52.327
Base-Backbone interact. energy: -0.167
local terms energy: -73.415018
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -13.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -128.550054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.550054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.550054 (E_RNA)
where:
Base-Base interactions energy: -60.590
where: short stacking energy: -37.615
Base-Backbone interact. energy: -0.575
local terms energy: -67.384708
where:
bonds (distance) C4'-P energy: -17.950
bonds (distance) P-C4' energy: -20.425
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -4.181
tors. eta vs tors. theta energy: -7.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -109.517360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.517360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.517360 (E_RNA)
where:
Base-Base interactions energy: -41.694
where: short stacking energy: -41.694
Base-Backbone interact. energy: -0.232
local terms energy: -67.591170
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -17.035
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -12.748
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: 10, replica: 3
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -99.633497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.633497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.633497 (E_RNA)
where:
Base-Base interactions energy: -38.832
where: short stacking energy: -28.306
Base-Backbone interact. energy: -0.236
local terms energy: -60.564883
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -330.501867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.501867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.501867 (E_RNA)
where:
Base-Base interactions energy: -225.813
where: short stacking energy: -101.984
Base-Backbone interact. energy: -0.650
local terms energy: -104.039729
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: -29.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -315.994857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.994857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.994857 (E_RNA)
where:
Base-Base interactions energy: -217.065
where: short stacking energy: -88.912
Base-Backbone interact. energy: -0.433
local terms energy: -98.496908
where:
bonds (distance) C4'-P energy: -18.392
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -23.168
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -23.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -316.560790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.560790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.560790 (E_RNA)
where:
Base-Base interactions energy: -215.075
where: short stacking energy: -95.563
Base-Backbone interact. energy: -0.035
local terms energy: -101.451547
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -20.681
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -28.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -292.591144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.591144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.591144 (E_RNA)
where:
Base-Base interactions energy: -200.945
where: short stacking energy: -85.763
Base-Backbone interact. energy: 0.537
local terms energy: -92.182699
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -21.544
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -24.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -285.786549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.786549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.786549 (E_RNA)
where:
Base-Base interactions energy: -191.815
where: short stacking energy: -77.688
Base-Backbone interact. energy: 1.128
local terms energy: -95.099660
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -16.239
tors. eta vs tors. theta energy: -22.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -239.036545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.036545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.036545 (E_RNA)
where:
Base-Base interactions energy: -163.085
where: short stacking energy: -72.923
Base-Backbone interact. energy: -0.386
local terms energy: -75.565636
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -20.733
flat angles C4'-P-C4' energy: -20.152
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -11.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -208.642528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.642528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.642528 (E_RNA)
where:
Base-Base interactions energy: -133.403
where: short stacking energy: -54.348
Base-Backbone interact. energy: 0.320
local terms energy: -75.559915
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -6.400
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: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -120.106987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.106987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.106987 (E_RNA)
where:
Base-Base interactions energy: -55.999
where: short stacking energy: -41.823
Base-Backbone interact. energy: -0.165
local terms energy: -63.942559
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -4.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -106.691367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.691367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.691367 (E_RNA)
where:
Base-Base interactions energy: -38.170
where: short stacking energy: -36.397
Base-Backbone interact. energy: 0.227
local terms energy: -68.748913
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -20.514
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -104.306010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.306010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.306010 (E_RNA)
where:
Base-Base interactions energy: -44.879
where: short stacking energy: -42.809
Base-Backbone interact. energy: -0.010
local terms energy: -59.416143
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -6.843
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: 1, replica: 9
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -330.654575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.654575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.654575 (E_RNA)
where:
Base-Base interactions energy: -224.928
where: short stacking energy: -100.923
Base-Backbone interact. energy: -0.191
local terms energy: -105.535166
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -20.233
flat angles C4'-P-C4' energy: -24.181
flat angles P-C4'-P energy: -16.562
tors. eta vs tors. theta energy: -28.689
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: 7
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -321.695966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.695966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.695966 (E_RNA)
where:
Base-Base interactions energy: -220.860
where: short stacking energy: -91.614
Base-Backbone interact. energy: -0.700
local terms energy: -100.136526
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -22.437
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -28.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -313.961026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.961026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.961026 (E_RNA)
where:
Base-Base interactions energy: -213.157
where: short stacking energy: -92.992
Base-Backbone interact. energy: -0.831
local terms energy: -99.972616
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -19.755
flat angles C4'-P-C4' energy: -23.346
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -26.149
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: 6
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -293.366023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.366023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.366023 (E_RNA)
where:
Base-Base interactions energy: -197.385
where: short stacking energy: -77.462
Base-Backbone interact. energy: 0.840
local terms energy: -96.821902
where:
bonds (distance) C4'-P energy: -20.429
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -21.308
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -21.974
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: 5
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -292.047350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.047350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.047350 (E_RNA)
where:
Base-Base interactions energy: -202.560
where: short stacking energy: -82.536
Base-Backbone interact. energy: -0.650
local terms energy: -88.837338
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -22.407
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -19.603
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: 6, replica: 10
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -219.823105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.823105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.823105 (E_RNA)
where:
Base-Base interactions energy: -163.327
where: short stacking energy: -41.584
Base-Backbone interact. energy: 0.303
local terms energy: -56.799158
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -1.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -202.902037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.902037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.902037 (E_RNA)
where:
Base-Base interactions energy: -124.811
where: short stacking energy: -62.363
Base-Backbone interact. energy: -0.122
local terms energy: -77.968502
where:
bonds (distance) C4'-P energy: -19.631
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -111.228504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.228504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.228504 (E_RNA)
where:
Base-Base interactions energy: -41.414
where: short stacking energy: -41.290
Base-Backbone interact. energy: 2.206
local terms energy: -72.020991
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -15.524
tors. eta vs tors. theta energy: -5.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -116.673847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.673847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.673847 (E_RNA)
where:
Base-Base interactions energy: -51.464
where: short stacking energy: -42.084
Base-Backbone interact. energy: -0.155
local terms energy: -65.054550
where:
bonds (distance) C4'-P energy: -22.219
bonds (distance) P-C4' energy: -21.628
flat angles C4'-P-C4' energy: -9.543
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -4.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -94.721622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.721622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.721622 (E_RNA)
where:
Base-Base interactions energy: -27.778
where: short stacking energy: -27.778
Base-Backbone interact. energy: 0.041
local terms energy: -66.984891
where:
bonds (distance) C4'-P energy: -22.492
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -5.068
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -329.380024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.380024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.380024 (E_RNA)
where:
Base-Base interactions energy: -225.113
where: short stacking energy: -100.885
Base-Backbone interact. energy: -0.265
local terms energy: -104.002031
where:
bonds (distance) C4'-P energy: -21.377
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -22.213
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -26.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -323.102379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.102379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.102379 (E_RNA)
where:
Base-Base interactions energy: -217.622
where: short stacking energy: -91.333
Base-Backbone interact. energy: -1.688
local terms energy: -103.792945
where:
bonds (distance) C4'-P energy: -21.508
bonds (distance) P-C4' energy: -18.945
flat angles C4'-P-C4' energy: -25.691
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -25.309
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: 7
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -316.372458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.372458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.372458 (E_RNA)
where:
Base-Base interactions energy: -216.792
where: short stacking energy: -91.239
Base-Backbone interact. energy: -1.594
local terms energy: -97.986016
where:
bonds (distance) C4'-P energy: -18.791
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -14.690
tors. eta vs tors. theta energy: -26.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -297.475889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.475889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.475889 (E_RNA)
where:
Base-Base interactions energy: -195.789
where: short stacking energy: -91.481
Base-Backbone interact. energy: -0.023
local terms energy: -101.664124
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -24.656
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -23.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -282.953715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.953715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.953715 (E_RNA)
where:
Base-Base interactions energy: -190.166
where: short stacking energy: -77.561
Base-Backbone interact. energy: -0.147
local terms energy: -92.640790
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -20.915
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: 267
Temperature: 1.150000
Total energy: -204.059872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.059872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.059872 (E_RNA)
where:
Base-Base interactions energy: -122.674
where: short stacking energy: -61.281
Base-Backbone interact. energy: -0.305
local terms energy: -81.081408
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -23.416
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -18.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -161.673747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.673747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.673747 (E_RNA)
where:
Base-Base interactions energy: -88.485
where: short stacking energy: -47.985
Base-Backbone interact. energy: -0.300
local terms energy: -72.888027
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -18.631
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -8.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -116.750680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.750680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.750680 (E_RNA)
where:
Base-Base interactions energy: -48.724
where: short stacking energy: -21.646
Base-Backbone interact. energy: 0.590
local terms energy: -68.616602
where:
bonds (distance) C4'-P energy: -18.321
bonds (distance) P-C4' energy: -23.584
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: 2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -105.590490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.590490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.590490 (E_RNA)
where:
Base-Base interactions energy: -44.415
where: short stacking energy: -42.900
Base-Backbone interact. energy: -0.503
local terms energy: -60.673171
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -21.166
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -5.925
tors. eta vs tors. theta energy: -2.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -100.651720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.651720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.651720 (E_RNA)
where:
Base-Base interactions energy: -44.252
where: short stacking energy: -27.103
Base-Backbone interact. energy: -0.349
local terms energy: -56.050901
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: 5.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -331.618838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.618838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.618838 (E_RNA)
where:
Base-Base interactions energy: -219.818
where: short stacking energy: -101.455
Base-Backbone interact. energy: -0.294
local terms energy: -111.506861
where:
bonds (distance) C4'-P energy: -22.260
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -21.029
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -29.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -319.860758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.860758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.860758 (E_RNA)
where:
Base-Base interactions energy: -225.322
where: short stacking energy: -90.026
Base-Backbone interact. energy: -0.176
local terms energy: -94.363602
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -26.707
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: 3, replica: 7
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -316.232714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.232714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.232714 (E_RNA)
where:
Base-Base interactions energy: -228.262
where: short stacking energy: -93.407
Base-Backbone interact. energy: -0.439
local terms energy: -87.530859
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -24.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -285.658146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.658146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.658146 (E_RNA)
where:
Base-Base interactions energy: -192.838
where: short stacking energy: -88.966
Base-Backbone interact. energy: -0.065
local terms energy: -92.754901
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -24.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -294.007186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.007186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.007186 (E_RNA)
where:
Base-Base interactions energy: -199.780
where: short stacking energy: -89.242
Base-Backbone interact. energy: -0.012
local terms energy: -94.215761
where:
bonds (distance) C4'-P energy: -19.238
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -19.423
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -25.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -183.212361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.212361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.212361 (E_RNA)
where:
Base-Base interactions energy: -111.508
where: short stacking energy: -43.567
Base-Backbone interact. energy: 0.310
local terms energy: -72.013906
where:
bonds (distance) C4'-P energy: -19.561
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -20.333
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -7.117
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: 4
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -195.028937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.028937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.028937 (E_RNA)
where:
Base-Base interactions energy: -114.079
where: short stacking energy: -61.874
Base-Backbone interact. energy: -0.226
local terms energy: -80.723718
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -17.760
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: -16.433
tors. eta vs tors. theta energy: -15.406
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: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -107.139855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.139855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.139855 (E_RNA)
where:
Base-Base interactions energy: -41.778
where: short stacking energy: -27.773
Base-Backbone interact. energy: -0.554
local terms energy: -64.807982
where:
bonds (distance) C4'-P energy: -20.700
bonds (distance) P-C4' energy: -19.263
flat angles C4'-P-C4' energy: -21.484
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: 4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -134.084098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.084098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.084098 (E_RNA)
where:
Base-Base interactions energy: -59.488
where: short stacking energy: -27.806
Base-Backbone interact. energy: -0.487
local terms energy: -74.109307
where:
bonds (distance) C4'-P energy: -22.614
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -15.449
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: 3
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -103.433059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.433059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.433059 (E_RNA)
where:
Base-Base interactions energy: -43.009
where: short stacking energy: -38.721
Base-Backbone interact. energy: -0.050
local terms energy: -60.374124
where:
bonds (distance) C4'-P energy: -19.723
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -3.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -332.614533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.614533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.614533 (E_RNA)
where:
Base-Base interactions energy: -222.282
where: short stacking energy: -100.087
Base-Backbone interact. energy: -0.491
local terms energy: -109.841903
where:
bonds (distance) C4'-P energy: -21.276
bonds (distance) P-C4' energy: -19.424
flat angles C4'-P-C4' energy: -22.203
flat angles P-C4'-P energy: -17.193
tors. eta vs tors. theta energy: -29.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -331.389990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.389990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.389990 (E_RNA)
where:
Base-Base interactions energy: -223.910
where: short stacking energy: -92.939
Base-Backbone interact. energy: -0.117
local terms energy: -107.362415
where:
bonds (distance) C4'-P energy: -20.637
bonds (distance) P-C4' energy: -21.398
flat angles C4'-P-C4' energy: -21.710
flat angles P-C4'-P energy: -17.838
tors. eta vs tors. theta energy: -25.779
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: 7
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -316.049120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.049120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.049120 (E_RNA)
where:
Base-Base interactions energy: -221.196
where: short stacking energy: -98.927
Base-Backbone interact. energy: 0.679
local terms energy: -95.531728
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -21.418
flat angles C4'-P-C4' energy: -19.423
flat angles P-C4'-P energy: -15.641
tors. eta vs tors. theta energy: -24.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -298.819028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.819028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.819028 (E_RNA)
where:
Base-Base interactions energy: -199.783
where: short stacking energy: -92.224
Base-Backbone interact. energy: -0.116
local terms energy: -98.919572
where:
bonds (distance) C4'-P energy: -19.109
bonds (distance) P-C4' energy: -19.618
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -28.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -282.979115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.979115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.979115 (E_RNA)
where:
Base-Base interactions energy: -196.195
where: short stacking energy: -84.907
Base-Backbone interact. energy: 0.147
local terms energy: -86.931318
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -20.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -195.298630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.298630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.298630 (E_RNA)
where:
Base-Base interactions energy: -109.479
where: short stacking energy: -56.561
Base-Backbone interact. energy: -0.543
local terms energy: -85.277017
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -12.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -190.979816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.979816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.979816 (E_RNA)
where:
Base-Base interactions energy: -121.780
where: short stacking energy: -52.971
Base-Backbone interact. energy: -0.260
local terms energy: -68.940050
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -12.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -136.657254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.657254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.657254 (E_RNA)
where:
Base-Base interactions energy: -66.377
where: short stacking energy: -43.461
Base-Backbone interact. energy: -0.819
local terms energy: -69.460803
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -10.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -95.108165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.108165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.108165 (E_RNA)
where:
Base-Base interactions energy: -36.592
where: short stacking energy: -25.148
Base-Backbone interact. energy: -0.264
local terms energy: -58.251621
where:
bonds (distance) C4'-P energy: -18.759
bonds (distance) P-C4' energy: -12.658
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -12.687
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: 10, replica: 3
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -114.351571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.351571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.351571 (E_RNA)
where:
Base-Base interactions energy: -54.259
where: short stacking energy: -42.817
Base-Backbone interact. energy: -0.525
local terms energy: -59.567620
where:
bonds (distance) C4'-P energy: -21.056
bonds (distance) P-C4' energy: -9.192
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -4.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -333.015730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.015730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.015730 (E_RNA)
where:
Base-Base interactions energy: -233.185
where: short stacking energy: -89.671
Base-Backbone interact. energy: -0.124
local terms energy: -99.707082
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -21.022
flat angles P-C4'-P energy: -13.702
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: 2, replica: 9
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -328.555784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.555784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.555784 (E_RNA)
where:
Base-Base interactions energy: -231.906
where: short stacking energy: -99.824
Base-Backbone interact. energy: -0.127
local terms energy: -96.522750
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -28.444
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: 5
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -298.587672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.587672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.587672 (E_RNA)
where:
Base-Base interactions energy: -199.195
where: short stacking energy: -83.908
Base-Backbone interact. energy: -0.104
local terms energy: -99.288406
where:
bonds (distance) C4'-P energy: -19.296
bonds (distance) P-C4' energy: -23.192
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -24.558
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: 7
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -309.970860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.970860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.970860 (E_RNA)
where:
Base-Base interactions energy: -219.826
where: short stacking energy: -89.854
Base-Backbone interact. energy: -0.363
local terms energy: -89.781575
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -19.843
flat angles C4'-P-C4' energy: -20.085
flat angles P-C4'-P energy: -10.535
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: 5, replica: 6
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -286.601918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.601918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.601918 (E_RNA)
where:
Base-Base interactions energy: -191.364
where: short stacking energy: -74.711
Base-Backbone interact. energy: -0.065
local terms energy: -95.172117
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -18.702
flat angles C4'-P-C4' energy: -22.709
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -21.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -194.854123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.854123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.854123 (E_RNA)
where:
Base-Base interactions energy: -107.968
where: short stacking energy: -62.448
Base-Backbone interact. energy: -0.729
local terms energy: -86.156480
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -15.002
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: 10
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -187.843162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.843162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.843162 (E_RNA)
where:
Base-Base interactions energy: -119.301
where: short stacking energy: -55.738
Base-Backbone interact. energy: -0.251
local terms energy: -68.291473
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -10.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -105.556184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.556184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.556184 (E_RNA)
where:
Base-Base interactions energy: -39.309
where: short stacking energy: -26.016
Base-Backbone interact. energy: -0.203
local terms energy: -66.044740
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -23.228
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -1.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -104.144264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.144264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.144264 (E_RNA)
where:
Base-Base interactions energy: -28.404
where: short stacking energy: -28.404
Base-Backbone interact. energy: -0.291
local terms energy: -75.449475
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -20.223
flat angles P-C4'-P energy: -14.652
tors. eta vs tors. theta energy: -5.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -115.605608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.605608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.605608 (E_RNA)
where:
Base-Base interactions energy: -56.458
where: short stacking energy: -30.273
Base-Backbone interact. energy: 0.866
local terms energy: -60.013052
where:
bonds (distance) C4'-P energy: -18.668
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: 1.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -329.156155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.156155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.156155 (E_RNA)
where:
Base-Base interactions energy: -232.983
where: short stacking energy: -97.594
Base-Backbone interact. energy: -0.395
local terms energy: -95.777646
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -19.826
flat angles C4'-P-C4' energy: -23.424
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -25.966
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: 5
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -299.016000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.016000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.016000 (E_RNA)
where:
Base-Base interactions energy: -201.946
where: short stacking energy: -86.329
Base-Backbone interact. energy: -0.137
local terms energy: -96.932858
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -20.196
flat angles C4'-P-C4' energy: -23.807
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -23.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -315.042154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.042154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.042154 (E_RNA)
where:
Base-Base interactions energy: -214.287
where: short stacking energy: -91.615
Base-Backbone interact. energy: -0.217
local terms energy: -100.537619
where:
bonds (distance) C4'-P energy: -20.203
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -16.591
tors. eta vs tors. theta energy: -27.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -313.465210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.465210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.465210 (E_RNA)
where:
Base-Base interactions energy: -202.852
where: short stacking energy: -78.838
Base-Backbone interact. energy: -0.766
local terms energy: -109.846372
where:
bonds (distance) C4'-P energy: -22.526
bonds (distance) P-C4' energy: -22.670
flat angles C4'-P-C4' energy: -22.948
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -28.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -280.713983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.713983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.713983 (E_RNA)
where:
Base-Base interactions energy: -189.731
where: short stacking energy: -82.008
Base-Backbone interact. energy: -0.152
local terms energy: -90.830964
where:
bonds (distance) C4'-P energy: -20.994
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -22.306
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -18.168
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: 10
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -192.081299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.081299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.081299 (E_RNA)
where:
Base-Base interactions energy: -108.508
where: short stacking energy: -53.535
Base-Backbone interact. energy: -0.463
local terms energy: -83.110738
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -22.867
flat angles C4'-P-C4' energy: -18.878
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -16.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -169.476462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.476462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.476462 (E_RNA)
where:
Base-Base interactions energy: -102.936
where: short stacking energy: -53.313
Base-Backbone interact. energy: -0.371
local terms energy: -66.169484
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -6.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -110.359597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.359597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.359597 (E_RNA)
where:
Base-Base interactions energy: -44.233
where: short stacking energy: -43.991
Base-Backbone interact. energy: -0.102
local terms energy: -66.024067
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -14.030
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: 9, replica: 3
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -104.690965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.690965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.690965 (E_RNA)
where:
Base-Base interactions energy: -45.192
where: short stacking energy: -39.392
Base-Backbone interact. energy: 0.096
local terms energy: -59.594742
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -1.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -118.137582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.137582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.137582 (E_RNA)
where:
Base-Base interactions energy: -71.541
where: short stacking energy: -26.112
Base-Backbone interact. energy: -0.406
local terms energy: -46.190243
where:
bonds (distance) C4'-P energy: -11.066
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -8.821
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: 1, replica: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -336.636524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.636524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.636524 (E_RNA)
where:
Base-Base interactions energy: -232.159
where: short stacking energy: -98.966
Base-Backbone interact. energy: 0.296
local terms energy: -104.773378
where:
bonds (distance) C4'-P energy: -21.495
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -20.689
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -28.084
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: 5
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -313.570505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.570505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.570505 (E_RNA)
where:
Base-Base interactions energy: -204.745
where: short stacking energy: -87.780
Base-Backbone interact. energy: -0.842
local terms energy: -107.983426
where:
bonds (distance) C4'-P energy: -19.525
bonds (distance) P-C4' energy: -25.576
flat angles C4'-P-C4' energy: -23.132
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -26.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -319.383087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.383087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.383087 (E_RNA)
where:
Base-Base interactions energy: -213.609
where: short stacking energy: -91.928
Base-Backbone interact. energy: -0.095
local terms energy: -105.678912
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -15.826
tors. eta vs tors. theta energy: -27.816
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: 4, replica: 7
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -312.159358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.159358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.159358 (E_RNA)
where:
Base-Base interactions energy: -208.174
where: short stacking energy: -85.376
Base-Backbone interact. energy: -0.107
local terms energy: -103.878315
where:
bonds (distance) C4'-P energy: -20.998
bonds (distance) P-C4' energy: -18.538
flat angles C4'-P-C4' energy: -21.546
flat angles P-C4'-P energy: -15.659
tors. eta vs tors. theta energy: -27.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -291.884314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.884314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.884314 (E_RNA)
where:
Base-Base interactions energy: -196.863
where: short stacking energy: -85.776
Base-Backbone interact. energy: -0.108
local terms energy: -94.913574
where:
bonds (distance) C4'-P energy: -18.996
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -24.739
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: 6, replica: 10
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -203.124243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.124243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.124243 (E_RNA)
where:
Base-Base interactions energy: -122.698
where: short stacking energy: -52.229
Base-Backbone interact. energy: -0.063
local terms energy: -80.362913
where:
bonds (distance) C4'-P energy: -18.789
bonds (distance) P-C4' energy: -20.620
flat angles C4'-P-C4' energy: -20.384
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -6.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -185.626660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.626660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.626660 (E_RNA)
where:
Base-Base interactions energy: -101.537
where: short stacking energy: -49.776
Base-Backbone interact. energy: -0.547
local terms energy: -83.542419
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -21.195
flat angles C4'-P-C4' energy: -18.779
flat angles P-C4'-P energy: -13.571
tors. eta vs tors. theta energy: -8.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -99.006438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.006438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.006438 (E_RNA)
where:
Base-Base interactions energy: -38.413
where: short stacking energy: -34.339
Base-Backbone interact. energy: -0.150
local terms energy: -60.443303
where:
bonds (distance) C4'-P energy: -20.402
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -5.144
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -165.797997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.797997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.797997 (E_RNA)
where:
Base-Base interactions energy: -97.884
where: short stacking energy: -43.622
Base-Backbone interact. energy: -0.367
local terms energy: -67.547065
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -20.728
flat angles P-C4'-P energy: -5.708
tors. eta vs tors. theta energy: -8.212
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: 272
Temperature: 1.350000
Total energy: -105.107482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.107482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.107482 (E_RNA)
where:
Base-Base interactions energy: -40.066
where: short stacking energy: -39.689
Base-Backbone interact. energy: 0.138
local terms energy: -65.178779
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -6.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -334.086100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.086100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.086100 (E_RNA)
where:
Base-Base interactions energy: -223.097
where: short stacking energy: -98.583
Base-Backbone interact. energy: -1.278
local terms energy: -109.710371
where:
bonds (distance) C4'-P energy: -21.919
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -21.581
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -30.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -325.489207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.489207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.489207 (E_RNA)
where:
Base-Base interactions energy: -225.391
where: short stacking energy: -99.188
Base-Backbone interact. energy: 0.293
local terms energy: -100.391021
where:
bonds (distance) C4'-P energy: -20.976
bonds (distance) P-C4' energy: -20.274
flat angles C4'-P-C4' energy: -20.213
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -25.057
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: 3, replica: 5
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -303.776302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.776302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.776302 (E_RNA)
where:
Base-Base interactions energy: -206.824
where: short stacking energy: -91.239
Base-Backbone interact. energy: -0.038
local terms energy: -96.914601
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -20.407
flat angles C4'-P-C4' energy: -21.651
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -26.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -296.258606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.258606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.258606 (E_RNA)
where:
Base-Base interactions energy: -203.634
where: short stacking energy: -91.823
Base-Backbone interact. energy: -0.110
local terms energy: -92.515167
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -20.315
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -24.386
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: 6
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -287.714432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.714432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.714432 (E_RNA)
where:
Base-Base interactions energy: -199.373
where: short stacking energy: -90.283
Base-Backbone interact. energy: -0.830
local terms energy: -87.511851
where:
bonds (distance) C4'-P energy: -19.678
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -25.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -186.928890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.928890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.928890 (E_RNA)
where:
Base-Base interactions energy: -108.511
where: short stacking energy: -60.658
Base-Backbone interact. energy: -0.058
local terms energy: -78.359965
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -17.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -152.204764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.204764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.204764 (E_RNA)
where:
Base-Base interactions energy: -86.427
where: short stacking energy: -42.819
Base-Backbone interact. energy: -1.557
local terms energy: -64.220976
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -9.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -186.330110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.330110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.330110 (E_RNA)
where:
Base-Base interactions energy: -104.284
where: short stacking energy: -50.622
Base-Backbone interact. energy: -0.081
local terms energy: -81.964581
where:
bonds (distance) C4'-P energy: -19.021
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -11.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -100.202140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.202140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.202140 (E_RNA)
where:
Base-Base interactions energy: -32.861
where: short stacking energy: -32.861
Base-Backbone interact. energy: -0.283
local terms energy: -67.058319
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: 0.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -102.576480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.576480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.576480 (E_RNA)
where:
Base-Base interactions energy: -43.627
where: short stacking energy: -35.199
Base-Backbone interact. energy: -0.215
local terms energy: -58.735417
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -21.820
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: -2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -337.382044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.382044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.382044 (E_RNA)
where:
Base-Base interactions energy: -230.395
where: short stacking energy: -103.244
Base-Backbone interact. energy: -0.101
local terms energy: -106.886354
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -21.583
flat angles C4'-P-C4' energy: -21.566
flat angles P-C4'-P energy: -16.741
tors. eta vs tors. theta energy: -27.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -321.838699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.838699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.838699 (E_RNA)
where:
Base-Base interactions energy: -218.344
where: short stacking energy: -93.506
Base-Backbone interact. energy: -0.043
local terms energy: -103.451903
where:
bonds (distance) C4'-P energy: -18.775
bonds (distance) P-C4' energy: -19.431
flat angles C4'-P-C4' energy: -21.935
flat angles P-C4'-P energy: -14.987
tors. eta vs tors. theta energy: -28.324
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: 5
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -288.422007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.422007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.422007 (E_RNA)
where:
Base-Base interactions energy: -199.316
where: short stacking energy: -79.666
Base-Backbone interact. energy: -0.303
local terms energy: -88.802881
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -19.627
flat angles P-C4'-P energy: -11.425
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: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -305.380556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.380556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.380556 (E_RNA)
where:
Base-Base interactions energy: -210.605
where: short stacking energy: -84.151
Base-Backbone interact. energy: -0.128
local terms energy: -94.646917
where:
bonds (distance) C4'-P energy: -18.020
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -21.865
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -21.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -291.746636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.746636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.746636 (E_RNA)
where:
Base-Base interactions energy: -200.972
where: short stacking energy: -83.640
Base-Backbone interact. energy: -0.024
local terms energy: -90.750617
where:
bonds (distance) C4'-P energy: -19.417
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -20.716
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -25.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -222.142093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.142093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.142093 (E_RNA)
where:
Base-Base interactions energy: -136.455
where: short stacking energy: -71.686
Base-Backbone interact. energy: -0.303
local terms energy: -85.383138
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -22.711
flat angles C4'-P-C4' energy: -20.318
flat angles P-C4'-P energy: -13.260
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: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -202.544798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.544798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.544798 (E_RNA)
where:
Base-Base interactions energy: -131.279
where: short stacking energy: -66.887
Base-Backbone interact. energy: -0.164
local terms energy: -71.101292
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -9.119
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -13.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -166.575404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.575404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.575404 (E_RNA)
where:
Base-Base interactions energy: -87.059
where: short stacking energy: -49.087
Base-Backbone interact. energy: -0.229
local terms energy: -79.287341
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -10.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -108.455815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.455815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.455815 (E_RNA)
where:
Base-Base interactions energy: -40.831
where: short stacking energy: -40.831
Base-Backbone interact. energy: -0.527
local terms energy: -67.097103
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -22.583
flat angles C4'-P-C4' energy: -18.563
flat angles P-C4'-P energy: -4.563
tors. eta vs tors. theta energy: -4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -114.049588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.049588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.049588 (E_RNA)
where:
Base-Base interactions energy: -53.204
where: short stacking energy: -30.909
Base-Backbone interact. energy: -0.227
local terms energy: -60.618288
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -15.066
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: 1, replica: 2
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -328.384623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.384623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.384623 (E_RNA)
where:
Base-Base interactions energy: -221.395
where: short stacking energy: -90.670
Base-Backbone interact. energy: -0.239
local terms energy: -106.750315
where:
bonds (distance) C4'-P energy: -20.427
bonds (distance) P-C4' energy: -20.384
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -14.760
tors. eta vs tors. theta energy: -28.268
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: 9
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -324.488853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.488853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.488853 (E_RNA)
where:
Base-Base interactions energy: -214.437
where: short stacking energy: -94.869
Base-Backbone interact. energy: 0.458
local terms energy: -110.510348
where:
bonds (distance) C4'-P energy: -20.753
bonds (distance) P-C4' energy: -21.105
flat angles C4'-P-C4' energy: -22.482
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -30.713
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: 5
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -298.463050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.463050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.463050 (E_RNA)
where:
Base-Base interactions energy: -208.432
where: short stacking energy: -84.244
Base-Backbone interact. energy: -0.381
local terms energy: -89.650118
where:
bonds (distance) C4'-P energy: -20.109
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -21.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -309.809898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.809898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.809898 (E_RNA)
where:
Base-Base interactions energy: -206.166
where: short stacking energy: -85.609
Base-Backbone interact. energy: -0.121
local terms energy: -103.522580
where:
bonds (distance) C4'-P energy: -22.051
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -14.318
tors. eta vs tors. theta energy: -25.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -279.131833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.131833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.131833 (E_RNA)
where:
Base-Base interactions energy: -181.521
where: short stacking energy: -77.564
Base-Backbone interact. energy: 0.241
local terms energy: -97.851910
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -18.307
flat angles C4'-P-C4' energy: -22.402
flat angles P-C4'-P energy: -16.431
tors. eta vs tors. theta energy: -22.690
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: 10
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -220.522760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.522760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.522760 (E_RNA)
where:
Base-Base interactions energy: -138.816
where: short stacking energy: -69.000
Base-Backbone interact. energy: -1.478
local terms energy: -80.229123
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -12.958
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: 7, replica: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -170.126869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.126869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.126869 (E_RNA)
where:
Base-Base interactions energy: -93.668
where: short stacking energy: -35.694
Base-Backbone interact. energy: -0.261
local terms energy: -76.198116
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -14.423
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: 275
Temperature: 1.250000
Total energy: -150.010912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.010912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.010912 (E_RNA)
where:
Base-Base interactions energy: -85.364
where: short stacking energy: -43.542
Base-Backbone interact. energy: -0.289
local terms energy: -64.357513
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -11.515
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -14.616
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: 9, replica: 3
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -130.120397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.120397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.120397 (E_RNA)
where:
Base-Base interactions energy: -72.359
where: short stacking energy: -40.811
Base-Backbone interact. energy: -1.254
local terms energy: -56.507521
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -8.234
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: 10, replica: 8
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -101.816838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.816838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.816838 (E_RNA)
where:
Base-Base interactions energy: -36.688
where: short stacking energy: -32.375
Base-Backbone interact. energy: -0.293
local terms energy: -64.835479
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -333.100511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.100511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.100511 (E_RNA)
where:
Base-Base interactions energy: -233.677
where: short stacking energy: -104.918
Base-Backbone interact. energy: -0.431
local terms energy: -98.992196
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -20.102
flat angles C4'-P-C4' energy: -19.479
flat angles P-C4'-P energy: -15.694
tors. eta vs tors. theta energy: -26.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -322.869908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.869908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.869908 (E_RNA)
where:
Base-Base interactions energy: -220.820
where: short stacking energy: -91.053
Base-Backbone interact. energy: -0.146
local terms energy: -101.903646
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -21.529
flat angles C4'-P-C4' energy: -23.637
flat angles P-C4'-P energy: -16.160
tors. eta vs tors. theta energy: -25.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -320.938075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.938075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.938075 (E_RNA)
where:
Base-Base interactions energy: -229.048
where: short stacking energy: -92.289
Base-Backbone interact. energy: -0.080
local terms energy: -91.810707
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -19.554
flat angles C4'-P-C4' energy: -22.420
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -27.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -291.519331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.519331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.519331 (E_RNA)
where:
Base-Base interactions energy: -199.281
where: short stacking energy: -83.411
Base-Backbone interact. energy: 0.350
local terms energy: -92.587503
where:
bonds (distance) C4'-P energy: -21.022
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -24.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -280.633787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.633787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.633787 (E_RNA)
where:
Base-Base interactions energy: -187.113
where: short stacking energy: -74.614
Base-Backbone interact. energy: -0.121
local terms energy: -93.400202
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -21.964
flat angles C4'-P-C4' energy: -20.524
flat angles P-C4'-P energy: -13.524
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: 6, replica: 10
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -207.227643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.227643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.227643 (E_RNA)
where:
Base-Base interactions energy: -121.124
where: short stacking energy: -63.854
Base-Backbone interact. energy: -0.991
local terms energy: -85.112406
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -18.653
flat angles C4'-P-C4' energy: -19.874
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -14.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -194.876952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.876952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.876952 (E_RNA)
where:
Base-Base interactions energy: -117.694
where: short stacking energy: -49.091
Base-Backbone interact. energy: -0.130
local terms energy: -77.052254
where:
bonds (distance) C4'-P energy: -20.465
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -12.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -158.506473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.506473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.506473 (E_RNA)
where:
Base-Base interactions energy: -90.091
where: short stacking energy: -50.711
Base-Backbone interact. energy: -0.816
local terms energy: -67.598967
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -18.938
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -9.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -159.002592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.002592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.002592 (E_RNA)
where:
Base-Base interactions energy: -91.184
where: short stacking energy: -57.202
Base-Backbone interact. energy: -0.101
local terms energy: -67.716781
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -21.787
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -6.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -102.138541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.138541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.138541 (E_RNA)
where:
Base-Base interactions energy: -28.325
where: short stacking energy: -20.729
Base-Backbone interact. energy: 0.043
local terms energy: -73.856528
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -20.260
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -18.215
tors. eta vs tors. theta energy: -1.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -336.274344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.274344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.274344 (E_RNA)
where:
Base-Base interactions energy: -235.134
where: short stacking energy: -102.917
Base-Backbone interact. energy: 0.357
local terms energy: -101.497582
where:
bonds (distance) C4'-P energy: -22.732
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -21.798
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -23.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -322.498007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.498007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.498007 (E_RNA)
where:
Base-Base interactions energy: -226.776
where: short stacking energy: -92.633
Base-Backbone interact. energy: -0.563
local terms energy: -95.158749
where:
bonds (distance) C4'-P energy: -19.355
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -21.347
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -24.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -316.756802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.756802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.756802 (E_RNA)
where:
Base-Base interactions energy: -220.668
where: short stacking energy: -93.106
Base-Backbone interact. energy: -0.582
local terms energy: -95.507419
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -18.878
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -22.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -291.771533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.771533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.771533 (E_RNA)
where:
Base-Base interactions energy: -199.239
where: short stacking energy: -83.032
Base-Backbone interact. energy: -0.185
local terms energy: -92.348063
where:
bonds (distance) C4'-P energy: -9.969
bonds (distance) P-C4' energy: -22.432
flat angles C4'-P-C4' energy: -20.996
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -26.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -250.567231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.567231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.567231 (E_RNA)
where:
Base-Base interactions energy: -163.562
where: short stacking energy: -60.435
Base-Backbone interact. energy: -0.523
local terms energy: -86.481731
where:
bonds (distance) C4'-P energy: -18.543
bonds (distance) P-C4' energy: -19.431
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -14.058
tors. eta vs tors. theta energy: -16.346
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: 1
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -215.932403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.932403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.932403 (E_RNA)
where:
Base-Base interactions energy: -138.222
where: short stacking energy: -61.756
Base-Backbone interact. energy: -0.207
local terms energy: -77.503447
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -18.246
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -14.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -214.133151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.133151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.133151 (E_RNA)
where:
Base-Base interactions energy: -124.068
where: short stacking energy: -70.234
Base-Backbone interact. energy: -0.114
local terms energy: -89.950986
where:
bonds (distance) C4'-P energy: -22.616
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -19.806
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -15.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -159.340622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.340622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.340622 (E_RNA)
where:
Base-Base interactions energy: -83.855
where: short stacking energy: -40.800
Base-Backbone interact. energy: -0.014
local terms energy: -75.471735
where:
bonds (distance) C4'-P energy: -19.802
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -6.034
tors. eta vs tors. theta energy: -7.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -100.551803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.551803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.551803 (E_RNA)
where:
Base-Base interactions energy: -32.571
where: short stacking energy: -27.517
Base-Backbone interact. energy: -0.754
local terms energy: -67.226052
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -24.618
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: 2.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -104.276296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.276296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.276296 (E_RNA)
where:
Base-Base interactions energy: -34.705
where: short stacking energy: -29.040
Base-Backbone interact. energy: -0.346
local terms energy: -69.225430
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -19.472
flat angles C4'-P-C4' energy: -19.899
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -4.129
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: 1, replica: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -332.892828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.892828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.892828 (E_RNA)
where:
Base-Base interactions energy: -227.581
where: short stacking energy: -100.950
Base-Backbone interact. energy: -0.604
local terms energy: -104.708285
where:
bonds (distance) C4'-P energy: -20.543
bonds (distance) P-C4' energy: -23.269
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -28.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -318.938590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.938590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.938590 (E_RNA)
where:
Base-Base interactions energy: -218.965
where: short stacking energy: -101.973
Base-Backbone interact. energy: -0.610
local terms energy: -99.363697
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -22.511
flat angles C4'-P-C4' energy: -22.823
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -22.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -316.460821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.460821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.460821 (E_RNA)
where:
Base-Base interactions energy: -209.252
where: short stacking energy: -89.037
Base-Backbone interact. energy: -0.229
local terms energy: -106.980165
where:
bonds (distance) C4'-P energy: -20.335
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -20.565
flat angles P-C4'-P energy: -18.571
tors. eta vs tors. theta energy: -28.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -314.287705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.287705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.287705 (E_RNA)
where:
Base-Base interactions energy: -216.740
where: short stacking energy: -94.576
Base-Backbone interact. energy: -0.303
local terms energy: -97.244094
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -24.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -252.715223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.715223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.715223 (E_RNA)
where:
Base-Base interactions energy: -158.905
where: short stacking energy: -68.143
Base-Backbone interact. energy: -1.102
local terms energy: -92.708601
where:
bonds (distance) C4'-P energy: -19.851
bonds (distance) P-C4' energy: -21.519
flat angles C4'-P-C4' energy: -20.409
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -15.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -213.957099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.957099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.957099 (E_RNA)
where:
Base-Base interactions energy: -142.855
where: short stacking energy: -68.031
Base-Backbone interact. energy: -0.929
local terms energy: -70.172785
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -8.430
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -13.495
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: 10
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -205.684219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.684219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.684219 (E_RNA)
where:
Base-Base interactions energy: -119.361
where: short stacking energy: -65.527
Base-Backbone interact. energy: -0.040
local terms energy: -86.282743
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -20.780
flat angles C4'-P-C4' energy: -18.068
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -19.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -125.283982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.283982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.283982 (E_RNA)
where:
Base-Base interactions energy: -61.494
where: short stacking energy: -47.549
Base-Backbone interact. energy: -0.189
local terms energy: -63.600562
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -18.180
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -111.036958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.036958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.036958 (E_RNA)
where:
Base-Base interactions energy: -42.064
where: short stacking energy: -35.873
Base-Backbone interact. energy: -0.267
local terms energy: -68.706419
where:
bonds (distance) C4'-P energy: -19.152
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -20.309
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -2.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -94.792014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.792014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.792014 (E_RNA)
where:
Base-Base interactions energy: -41.337
where: short stacking energy: -38.023
Base-Backbone interact. energy: 0.302
local terms energy: -53.757488
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -3.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -337.885611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.885611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.885611 (E_RNA)
where:
Base-Base interactions energy: -228.829
where: short stacking energy: -95.191
Base-Backbone interact. energy: -0.893
local terms energy: -108.163095
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -21.364
flat angles C4'-P-C4' energy: -21.360
flat angles P-C4'-P energy: -16.248
tors. eta vs tors. theta energy: -29.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -318.853672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.853672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.853672 (E_RNA)
where:
Base-Base interactions energy: -215.886
where: short stacking energy: -79.896
Base-Backbone interact. energy: -0.174
local terms energy: -102.793249
where:
bonds (distance) C4'-P energy: -21.967
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -21.742
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -22.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -317.178301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.178301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.178301 (E_RNA)
where:
Base-Base interactions energy: -221.284
where: short stacking energy: -93.489
Base-Backbone interact. energy: -0.273
local terms energy: -95.621291
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -23.149
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -26.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -316.511489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.511489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.511489 (E_RNA)
where:
Base-Base interactions energy: -217.050
where: short stacking energy: -89.770
Base-Backbone interact. energy: 1.741
local terms energy: -101.203060
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -22.933
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -26.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -247.764193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.764193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.764193 (E_RNA)
where:
Base-Base interactions energy: -156.622
where: short stacking energy: -71.403
Base-Backbone interact. energy: 0.258
local terms energy: -91.400048
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -19.353
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -19.303
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: 1
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -217.704408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.704408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.704408 (E_RNA)
where:
Base-Base interactions energy: -134.165
where: short stacking energy: -71.340
Base-Backbone interact. energy: -0.555
local terms energy: -82.984686
where:
bonds (distance) C4'-P energy: -23.179
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -21.851
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -14.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -164.969576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.969576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.969576 (E_RNA)
where:
Base-Base interactions energy: -89.796
where: short stacking energy: -44.028
Base-Backbone interact. energy: -0.138
local terms energy: -75.034874
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -15.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -106.440471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.440471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.440471 (E_RNA)
where:
Base-Base interactions energy: -45.718
where: short stacking energy: -42.397
Base-Backbone interact. energy: -0.292
local terms energy: -60.429580
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -6.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -148.690313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.690313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.690313 (E_RNA)
where:
Base-Base interactions energy: -74.221
where: short stacking energy: -38.848
Base-Backbone interact. energy: -0.572
local terms energy: -73.897970
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -20.445
flat angles P-C4'-P energy: -16.173
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: 10, replica: 4
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -111.613544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.613544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.613544 (E_RNA)
where:
Base-Base interactions energy: -50.453
where: short stacking energy: -37.102
Base-Backbone interact. energy: -0.093
local terms energy: -61.067830
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -4.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -327.756753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.756753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.756753 (E_RNA)
where:
Base-Base interactions energy: -229.968
where: short stacking energy: -96.735
Base-Backbone interact. energy: -0.810
local terms energy: -96.979106
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -13.823
tors. eta vs tors. theta energy: -26.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -324.054369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.054369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.054369 (E_RNA)
where:
Base-Base interactions energy: -218.949
where: short stacking energy: -92.220
Base-Backbone interact. energy: -0.186
local terms energy: -104.919976
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -23.988
flat angles C4'-P-C4' energy: -24.832
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -29.255
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: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -324.401644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.401644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.401644 (E_RNA)
where:
Base-Base interactions energy: -221.270
where: short stacking energy: -90.651
Base-Backbone interact. energy: -0.129
local terms energy: -103.003541
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -24.625
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -27.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -310.979953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.979953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.979953 (E_RNA)
where:
Base-Base interactions energy: -212.568
where: short stacking energy: -90.355
Base-Backbone interact. energy: -0.195
local terms energy: -98.217083
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -14.265
tors. eta vs tors. theta energy: -26.210
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: 6
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -254.749526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.749526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.749526 (E_RNA)
where:
Base-Base interactions energy: -171.898
where: short stacking energy: -71.480
Base-Backbone interact. energy: -0.043
local terms energy: -82.809052
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -18.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -206.295984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.295984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.295984 (E_RNA)
where:
Base-Base interactions energy: -130.271
where: short stacking energy: -55.678
Base-Backbone interact. energy: -0.180
local terms energy: -75.845037
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -14.400
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: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -123.981609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.981609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.981609 (E_RNA)
where:
Base-Base interactions energy: -77.101
where: short stacking energy: -24.095
Base-Backbone interact. energy: -0.950
local terms energy: -45.930178
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -2.800
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: 8, replica: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -150.874199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.874199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.874199 (E_RNA)
where:
Base-Base interactions energy: -76.998
where: short stacking energy: -46.940
Base-Backbone interact. energy: -0.071
local terms energy: -73.805236
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -7.045
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: 9, replica: 3
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -143.295288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.295288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.295288 (E_RNA)
where:
Base-Base interactions energy: -82.991
where: short stacking energy: -47.935
Base-Backbone interact. energy: 0.018
local terms energy: -60.322637
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -4.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -92.434076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.434076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.434076 (E_RNA)
where:
Base-Base interactions energy: -36.144
where: short stacking energy: -29.054
Base-Backbone interact. energy: -0.909
local terms energy: -55.381401
where:
bonds (distance) C4'-P energy: -9.182
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -18.950
flat angles P-C4'-P energy: -4.763
tors. eta vs tors. theta energy: -4.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -319.352007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.352007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.352007 (E_RNA)
where:
Base-Base interactions energy: -212.174
where: short stacking energy: -89.425
Base-Backbone interact. energy: -0.199
local terms energy: -106.979206
where:
bonds (distance) C4'-P energy: -20.592
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -23.961
flat angles P-C4'-P energy: -15.766
tors. eta vs tors. theta energy: -25.949
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: 9
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -325.116800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.116800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.116800 (E_RNA)
where:
Base-Base interactions energy: -229.308
where: short stacking energy: -94.454
Base-Backbone interact. energy: 0.379
local terms energy: -96.187987
where:
bonds (distance) C4'-P energy: -19.553
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -20.894
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -24.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -312.500909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.500909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.500909 (E_RNA)
where:
Base-Base interactions energy: -215.685
where: short stacking energy: -100.711
Base-Backbone interact. energy: -0.222
local terms energy: -96.594429
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -21.863
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -24.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -299.247425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.247425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.247425 (E_RNA)
where:
Base-Base interactions energy: -205.117
where: short stacking energy: -76.606
Base-Backbone interact. energy: 0.483
local terms energy: -94.612703
where:
bonds (distance) C4'-P energy: -19.714
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -22.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -266.600207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.600207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.600207 (E_RNA)
where:
Base-Base interactions energy: -176.738
where: short stacking energy: -80.781
Base-Backbone interact. energy: -0.697
local terms energy: -89.165082
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -20.898
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -24.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -185.139153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.139153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.139153 (E_RNA)
where:
Base-Base interactions energy: -106.006
where: short stacking energy: -51.606
Base-Backbone interact. energy: -0.335
local terms energy: -78.798774
where:
bonds (distance) C4'-P energy: -18.518
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -20.550
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -8.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -220.151897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.151897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.151897 (E_RNA)
where:
Base-Base interactions energy: -137.503
where: short stacking energy: -64.867
Base-Backbone interact. energy: -0.193
local terms energy: -82.455076
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -19.584
flat angles C4'-P-C4' energy: -21.779
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -12.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -172.634640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.634640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.634640 (E_RNA)
where:
Base-Base interactions energy: -108.562
where: short stacking energy: -52.664
Base-Backbone interact. energy: -0.412
local terms energy: -63.661203
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -7.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -138.092671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.092671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.092671 (E_RNA)
where:
Base-Base interactions energy: -71.889
where: short stacking energy: -38.686
Base-Backbone interact. energy: -0.569
local terms energy: -65.634324
where:
bonds (distance) C4'-P energy: -20.241
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -4.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -106.648225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.648225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.648225 (E_RNA)
where:
Base-Base interactions energy: -44.161
where: short stacking energy: -40.609
Base-Backbone interact. energy: -0.147
local terms energy: -62.341017
where:
bonds (distance) C4'-P energy: -19.535
bonds (distance) P-C4' energy: -17.512
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -2.350
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: 1, replica: 9
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -334.774959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.774959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.774959 (E_RNA)
where:
Base-Base interactions energy: -228.328
where: short stacking energy: -103.490
Base-Backbone interact. energy: -0.345
local terms energy: -106.102060
where:
bonds (distance) C4'-P energy: -20.157
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -20.440
flat angles P-C4'-P energy: -17.986
tors. eta vs tors. theta energy: -27.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -316.601059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.601059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.601059 (E_RNA)
where:
Base-Base interactions energy: -219.908
where: short stacking energy: -89.622
Base-Backbone interact. energy: -0.828
local terms energy: -95.864587
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -26.378
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: 282
Temperature: 1.000000
Total energy: -314.646408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.646408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.646408 (E_RNA)
where:
Base-Base interactions energy: -218.727
where: short stacking energy: -84.113
Base-Backbone interact. energy: -0.507
local terms energy: -95.411609
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -20.487
flat angles C4'-P-C4' energy: -19.397
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -22.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -286.585225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.585225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.585225 (E_RNA)
where:
Base-Base interactions energy: -192.340
where: short stacking energy: -81.031
Base-Backbone interact. energy: -0.788
local terms energy: -93.457643
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -19.934
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: -21.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -273.001120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.001120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.001120 (E_RNA)
where:
Base-Base interactions energy: -182.212
where: short stacking energy: -78.739
Base-Backbone interact. energy: -0.281
local terms energy: -90.507664
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -23.893
flat angles P-C4'-P energy: -13.935
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: 6, replica: 10
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -189.916165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.916165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.916165 (E_RNA)
where:
Base-Base interactions energy: -117.754
where: short stacking energy: -63.911
Base-Backbone interact. energy: 1.857
local terms energy: -74.019553
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -19.205
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -17.613
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: 1
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -198.823657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.823657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.823657 (E_RNA)
where:
Base-Base interactions energy: -117.659
where: short stacking energy: -51.120
Base-Backbone interact. energy: 1.015
local terms energy: -82.180430
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -21.745
flat angles C4'-P-C4' energy: -20.404
flat angles P-C4'-P energy: -12.877
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: 3
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -186.010258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.010258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.010258 (E_RNA)
where:
Base-Base interactions energy: -120.089
where: short stacking energy: -58.656
Base-Backbone interact. energy: -0.315
local terms energy: -65.606848
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -13.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -104.044661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.044661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.044661 (E_RNA)
where:
Base-Base interactions energy: -51.004
where: short stacking energy: -44.142
Base-Backbone interact. energy: -0.147
local terms energy: -52.893114
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: 1.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -101.692359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.692359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.692359 (E_RNA)
where:
Base-Base interactions energy: -38.138
where: short stacking energy: -33.943
Base-Backbone interact. energy: -0.113
local terms energy: -63.441758
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -10.872
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: 9
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -332.008350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.008350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.008350 (E_RNA)
where:
Base-Base interactions energy: -227.146
where: short stacking energy: -99.533
Base-Backbone interact. energy: -0.464
local terms energy: -104.398493
where:
bonds (distance) C4'-P energy: -19.819
bonds (distance) P-C4' energy: -17.296
flat angles C4'-P-C4' energy: -23.864
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -28.962
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: 2, replica: 5
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -323.159978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.159978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.159978 (E_RNA)
where:
Base-Base interactions energy: -219.843
where: short stacking energy: -90.412
Base-Backbone interact. energy: -1.032
local terms energy: -102.284827
where:
bonds (distance) C4'-P energy: -20.419
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -22.250
flat angles P-C4'-P energy: -18.597
tors. eta vs tors. theta energy: -21.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -329.872954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.872954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.872954 (E_RNA)
where:
Base-Base interactions energy: -217.463
where: short stacking energy: -97.201
Base-Backbone interact. energy: 0.365
local terms energy: -112.774855
where:
bonds (distance) C4'-P energy: -21.516
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -22.727
flat angles P-C4'-P energy: -17.318
tors. eta vs tors. theta energy: -30.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -288.389764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.389764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.389764 (E_RNA)
where:
Base-Base interactions energy: -195.180
where: short stacking energy: -81.681
Base-Backbone interact. energy: 0.211
local terms energy: -93.420801
where:
bonds (distance) C4'-P energy: -21.607
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -15.348
tors. eta vs tors. theta energy: -20.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -284.580365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.580365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.580365 (E_RNA)
where:
Base-Base interactions energy: -187.719
where: short stacking energy: -86.933
Base-Backbone interact. energy: -0.814
local terms energy: -96.047736
where:
bonds (distance) C4'-P energy: -22.923
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -20.429
flat angles P-C4'-P energy: -16.038
tors. eta vs tors. theta energy: -20.981
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: 6, replica: 1
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -214.095076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.095076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.095076 (E_RNA)
where:
Base-Base interactions energy: -136.493
where: short stacking energy: -71.349
Base-Backbone interact. energy: -0.030
local terms energy: -77.572598
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -20.844
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -7.470
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: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -169.968361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.968361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.968361 (E_RNA)
where:
Base-Base interactions energy: -96.417
where: short stacking energy: -51.779
Base-Backbone interact. energy: -0.052
local terms energy: -73.499357
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -16.308
tors. eta vs tors. theta energy: -8.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -146.267444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.267444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.267444 (E_RNA)
where:
Base-Base interactions energy: -82.308
where: short stacking energy: -43.652
Base-Backbone interact. energy: 1.007
local terms energy: -64.966617
where:
bonds (distance) C4'-P energy: -18.332
bonds (distance) P-C4' energy: -17.708
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -7.737
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: 9, replica: 3
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -203.961878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.961878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.961878 (E_RNA)
where:
Base-Base interactions energy: -123.157
where: short stacking energy: -51.723
Base-Backbone interact. energy: -0.294
local terms energy: -80.511207
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -18.743
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -12.823
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: 4
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -99.973202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.973202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.973202 (E_RNA)
where:
Base-Base interactions energy: -39.747
where: short stacking energy: -39.747
Base-Backbone interact. energy: -0.235
local terms energy: -59.991594
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -3.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -326.075926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.075926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.075926 (E_RNA)
where:
Base-Base interactions energy: -221.099
where: short stacking energy: -96.481
Base-Backbone interact. energy: -0.174
local terms energy: -104.802053
where:
bonds (distance) C4'-P energy: -22.798
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -22.130
flat angles P-C4'-P energy: -18.361
tors. eta vs tors. theta energy: -27.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -322.197051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.197051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.197051 (E_RNA)
where:
Base-Base interactions energy: -218.062
where: short stacking energy: -92.391
Base-Backbone interact. energy: -0.315
local terms energy: -103.819844
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -23.962
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -24.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -313.768847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.768847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.768847 (E_RNA)
where:
Base-Base interactions energy: -210.835
where: short stacking energy: -96.474
Base-Backbone interact. energy: -0.084
local terms energy: -102.849026
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -19.409
flat angles C4'-P-C4' energy: -21.342
flat angles P-C4'-P energy: -15.099
tors. eta vs tors. theta energy: -26.166
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: 7
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -309.580024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.580024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.580024 (E_RNA)
where:
Base-Base interactions energy: -210.195
where: short stacking energy: -88.468
Base-Backbone interact. energy: -0.109
local terms energy: -99.275620
where:
bonds (distance) C4'-P energy: -19.748
bonds (distance) P-C4' energy: -21.768
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -24.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -269.166674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.166674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.166674 (E_RNA)
where:
Base-Base interactions energy: -180.205
where: short stacking energy: -74.179
Base-Backbone interact. energy: 0.072
local terms energy: -89.033863
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -20.255
flat angles C4'-P-C4' energy: -23.420
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -17.728
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: 1
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -215.690954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.690954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.690954 (E_RNA)
where:
Base-Base interactions energy: -136.389
where: short stacking energy: -56.702
Base-Backbone interact. energy: 2.582
local terms energy: -81.884381
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -22.786
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -12.903
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: 10
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -199.823623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.823623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.823623 (E_RNA)
where:
Base-Base interactions energy: -117.005
where: short stacking energy: -50.362
Base-Backbone interact. energy: -0.061
local terms energy: -82.757203
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -21.377
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -13.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -122.340485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.340485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.340485 (E_RNA)
where:
Base-Base interactions energy: -56.538
where: short stacking energy: -33.361
Base-Backbone interact. energy: -0.585
local terms energy: -65.217034
where:
bonds (distance) C4'-P energy: -17.877
bonds (distance) P-C4' energy: -21.892
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -3.589
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: 284
Temperature: 1.300000
Total energy: -133.189201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.189201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.189201 (E_RNA)
where:
Base-Base interactions energy: -67.966
where: short stacking energy: -29.140
Base-Backbone interact. energy: 1.650
local terms energy: -66.873026
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -21.068
flat angles C4'-P-C4' energy: -19.118
flat angles P-C4'-P energy: -11.172
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: 10, replica: 4
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -141.098614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.098614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.098614 (E_RNA)
where:
Base-Base interactions energy: -73.475
where: short stacking energy: -49.211
Base-Backbone interact. energy: -0.140
local terms energy: -67.483267
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -10.310
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: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -326.520789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.520789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.520789 (E_RNA)
where:
Base-Base interactions energy: -227.028
where: short stacking energy: -99.869
Base-Backbone interact. energy: -0.914
local terms energy: -98.578253
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -28.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -315.969123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.969123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.969123 (E_RNA)
where:
Base-Base interactions energy: -215.905
where: short stacking energy: -86.143
Base-Backbone interact. energy: -0.110
local terms energy: -99.953345
where:
bonds (distance) C4'-P energy: -21.740
bonds (distance) P-C4' energy: -21.180
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -24.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -324.445564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.445564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.445564 (E_RNA)
where:
Base-Base interactions energy: -216.920
where: short stacking energy: -85.031
Base-Backbone interact. energy: -0.603
local terms energy: -106.922101
where:
bonds (distance) C4'-P energy: -20.427
bonds (distance) P-C4' energy: -22.625
flat angles C4'-P-C4' energy: -21.747
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -27.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -309.602075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.602075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.602075 (E_RNA)
where:
Base-Base interactions energy: -214.922
where: short stacking energy: -86.598
Base-Backbone interact. energy: -0.272
local terms energy: -94.407533
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -18.745
flat angles C4'-P-C4' energy: -22.590
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -27.362
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: 6
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -281.634548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.634548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.634548 (E_RNA)
where:
Base-Base interactions energy: -190.113
where: short stacking energy: -79.972
Base-Backbone interact. energy: -0.030
local terms energy: -91.491822
where:
bonds (distance) C4'-P energy: -22.226
bonds (distance) P-C4' energy: -19.807
flat angles C4'-P-C4' energy: -20.200
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -17.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -191.045911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.045911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.045911 (E_RNA)
where:
Base-Base interactions energy: -104.177
where: short stacking energy: -63.187
Base-Backbone interact. energy: -0.444
local terms energy: -86.425456
where:
bonds (distance) C4'-P energy: -22.065
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -22.005
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -12.779
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: 1
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -219.416709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.416709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.416709 (E_RNA)
where:
Base-Base interactions energy: -132.680
where: short stacking energy: -56.355
Base-Backbone interact. energy: 0.984
local terms energy: -87.720096
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -20.299
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: -15.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -118.890685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.890685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.890685 (E_RNA)
where:
Base-Base interactions energy: -38.995
where: short stacking energy: -38.995
Base-Backbone interact. energy: -0.040
local terms energy: -79.855717
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -23.766
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -9.849
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: 285
Temperature: 1.300000
Total energy: -122.863180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.863180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.863180 (E_RNA)
where:
Base-Base interactions energy: -53.498
where: short stacking energy: -35.779
Base-Backbone interact. energy: -0.316
local terms energy: -69.049705
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -16.012
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: 10, replica: 4
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -109.684380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.684380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.684380 (E_RNA)
where:
Base-Base interactions energy: -37.321
where: short stacking energy: -37.321
Base-Backbone interact. energy: -0.590
local terms energy: -71.773075
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -5.192
tors. eta vs tors. theta energy: -14.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -326.501321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.501321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.501321 (E_RNA)
where:
Base-Base interactions energy: -228.907
where: short stacking energy: -99.780
Base-Backbone interact. energy: -0.109
local terms energy: -97.485056
where:
bonds (distance) C4'-P energy: -17.919
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -22.793
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -25.815
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: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -327.479534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.479534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.479534 (E_RNA)
where:
Base-Base interactions energy: -217.287
where: short stacking energy: -98.223
Base-Backbone interact. energy: -0.348
local terms energy: -109.845152
where:
bonds (distance) C4'-P energy: -21.713
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -20.918
flat angles P-C4'-P energy: -18.339
tors. eta vs tors. theta energy: -26.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -319.652508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.652508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.652508 (E_RNA)
where:
Base-Base interactions energy: -220.300
where: short stacking energy: -94.806
Base-Backbone interact. energy: -0.436
local terms energy: -98.916580
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -20.638
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: -28.669
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: 286
Temperature: 1.050000
Total energy: -320.592192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.592192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.592192 (E_RNA)
where:
Base-Base interactions energy: -223.097
where: short stacking energy: -90.258
Base-Backbone interact. energy: -0.095
local terms energy: -97.399992
where:
bonds (distance) C4'-P energy: -20.419
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -25.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -271.241891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.241891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.241891 (E_RNA)
where:
Base-Base interactions energy: -180.911
where: short stacking energy: -80.290
Base-Backbone interact. energy: -0.345
local terms energy: -89.985485
where:
bonds (distance) C4'-P energy: -18.584
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -20.339
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -19.845
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: 10
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -228.110047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.110047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.110047 (E_RNA)
where:
Base-Base interactions energy: -147.501
where: short stacking energy: -64.550
Base-Backbone interact. energy: -0.143
local terms energy: -80.466361
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -22.374
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -15.106
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: 1
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -183.967104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.967104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.967104 (E_RNA)
where:
Base-Base interactions energy: -100.545
where: short stacking energy: -45.761
Base-Backbone interact. energy: -0.367
local terms energy: -83.055371
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -21.243
flat angles P-C4'-P energy: -14.533
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: 8, replica: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -112.158442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.158442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.158442 (E_RNA)
where:
Base-Base interactions energy: -46.257
where: short stacking energy: -46.257
Base-Backbone interact. energy: -0.250
local terms energy: -65.650960
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -19.121
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -4.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -114.972631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.972631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.972631 (E_RNA)
where:
Base-Base interactions energy: -43.422
where: short stacking energy: -39.790
Base-Backbone interact. energy: -0.665
local terms energy: -70.885851
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -20.714
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -4.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -127.810041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.810041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.810041 (E_RNA)
where:
Base-Base interactions energy: -70.345
where: short stacking energy: -32.529
Base-Backbone interact. energy: 0.620
local terms energy: -58.084677
where:
bonds (distance) C4'-P energy: -20.725
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -8.163
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: 3.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -328.523030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.523030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.523030 (E_RNA)
where:
Base-Base interactions energy: -220.533
where: short stacking energy: -94.768
Base-Backbone interact. energy: -0.043
local terms energy: -107.946710
where:
bonds (distance) C4'-P energy: -22.674
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -23.519
flat angles P-C4'-P energy: -16.863
tors. eta vs tors. theta energy: -26.486
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: 7
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -325.878204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.878204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.878204 (E_RNA)
where:
Base-Base interactions energy: -224.416
where: short stacking energy: -96.771
Base-Backbone interact. energy: -0.892
local terms energy: -100.569723
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -21.493
flat angles P-C4'-P energy: -16.406
tors. eta vs tors. theta energy: -29.264
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: 287
Temperature: 1.000000
Total energy: -317.528497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.528497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.528497 (E_RNA)
where:
Base-Base interactions energy: -216.984
where: short stacking energy: -92.805
Base-Backbone interact. energy: 0.863
local terms energy: -101.407475
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -22.577
flat angles C4'-P-C4' energy: -21.120
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -28.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -305.330676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.330676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.330676 (E_RNA)
where:
Base-Base interactions energy: -206.728
where: short stacking energy: -84.360
Base-Backbone interact. energy: -1.208
local terms energy: -97.394285
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -24.222
flat angles C4'-P-C4' energy: -21.002
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -24.806
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: 6
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -259.507305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.507305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.507305 (E_RNA)
where:
Base-Base interactions energy: -168.397
where: short stacking energy: -75.231
Base-Backbone interact. energy: -2.394
local terms energy: -88.716518
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -21.747
flat angles P-C4'-P energy: -16.107
tors. eta vs tors. theta energy: -18.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -209.445006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.445006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.445006 (E_RNA)
where:
Base-Base interactions energy: -135.445
where: short stacking energy: -59.875
Base-Backbone interact. energy: -0.112
local terms energy: -73.887164
where:
bonds (distance) C4'-P energy: -18.609
bonds (distance) P-C4' energy: -17.360
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -7.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -203.969728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.969728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.969728 (E_RNA)
where:
Base-Base interactions energy: -122.392
where: short stacking energy: -48.018
Base-Backbone interact. energy: -0.490
local terms energy: -81.088224
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -16.830
tors. eta vs tors. theta energy: -10.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -171.331580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.331580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.331580 (E_RNA)
where:
Base-Base interactions energy: -99.767
where: short stacking energy: -48.163
Base-Backbone interact. energy: -0.628
local terms energy: -70.936360
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -20.247
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -5.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -106.096584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.096584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.096584 (E_RNA)
where:
Base-Base interactions energy: -44.997
where: short stacking energy: -35.584
Base-Backbone interact. energy: -0.324
local terms energy: -60.775713
where:
bonds (distance) C4'-P energy: -5.751
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -4.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -167.241152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.241152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.241152 (E_RNA)
where:
Base-Base interactions energy: -94.049
where: short stacking energy: -55.488
Base-Backbone interact. energy: -0.318
local terms energy: -72.874429
where:
bonds (distance) C4'-P energy: -21.751
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -9.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -332.390968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.390968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.390968 (E_RNA)
where:
Base-Base interactions energy: -227.754
where: short stacking energy: -103.772
Base-Backbone interact. energy: -0.092
local terms energy: -104.544479
where:
bonds (distance) C4'-P energy: -18.827
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -24.033
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -27.961
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: 2, replica: 2
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -327.272069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.272069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.272069 (E_RNA)
where:
Base-Base interactions energy: -223.889
where: short stacking energy: -101.246
Base-Backbone interact. energy: -0.522
local terms energy: -102.860818
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -22.384
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -19.475
tors. eta vs tors. theta energy: -27.998
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: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -316.878663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.878663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.878663 (E_RNA)
where:
Base-Base interactions energy: -217.690
where: short stacking energy: -95.810
Base-Backbone interact. energy: -0.687
local terms energy: -98.501980
where:
bonds (distance) C4'-P energy: -20.239
bonds (distance) P-C4' energy: -20.829
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -15.423
tors. eta vs tors. theta energy: -21.052
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: 9
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -313.859260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.859260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.859260 (E_RNA)
where:
Base-Base interactions energy: -212.846
where: short stacking energy: -87.946
Base-Backbone interact. energy: -0.146
local terms energy: -100.866471
where:
bonds (distance) C4'-P energy: -20.213
bonds (distance) P-C4' energy: -20.748
flat angles C4'-P-C4' energy: -20.297
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -25.971
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: 5, replica: 6
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -271.374973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.374973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.374973 (E_RNA)
where:
Base-Base interactions energy: -180.058
where: short stacking energy: -61.686
Base-Backbone interact. energy: -0.268
local terms energy: -91.048799
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -22.210
flat angles C4'-P-C4' energy: -23.266
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -15.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -189.559338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.559338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.559338 (E_RNA)
where:
Base-Base interactions energy: -113.933
where: short stacking energy: -70.896
Base-Backbone interact. energy: -0.057
local terms energy: -75.569636
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -11.382
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: 7, replica: 3
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -213.614534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.614534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.614534 (E_RNA)
where:
Base-Base interactions energy: -140.965
where: short stacking energy: -56.130
Base-Backbone interact. energy: -0.010
local terms energy: -72.639094
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -19.378
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -10.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -183.482362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.482362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.482362 (E_RNA)
where:
Base-Base interactions energy: -109.779
where: short stacking energy: -42.949
Base-Backbone interact. energy: -0.291
local terms energy: -73.412791
where:
bonds (distance) C4'-P energy: -18.680
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -20.877
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -9.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -199.397212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.397212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.397212 (E_RNA)
where:
Base-Base interactions energy: -125.835
where: short stacking energy: -53.499
Base-Backbone interact. energy: -1.241
local terms energy: -72.321861
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -22.447
flat angles P-C4'-P energy: -3.898
tors. eta vs tors. theta energy: -11.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -102.254288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.254288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.254288 (E_RNA)
where:
Base-Base interactions energy: -30.026
where: short stacking energy: -14.670
Base-Backbone interact. energy: -0.498
local terms energy: -71.730455
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -25.079
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -14.607
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: 7
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -335.259769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.259769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.259769 (E_RNA)
where:
Base-Base interactions energy: -225.227
where: short stacking energy: -102.905
Base-Backbone interact. energy: -0.100
local terms energy: -109.932458
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -22.421
flat angles C4'-P-C4' energy: -21.020
flat angles P-C4'-P energy: -17.729
tors. eta vs tors. theta energy: -29.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -324.357933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.357933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.357933 (E_RNA)
where:
Base-Base interactions energy: -221.287
where: short stacking energy: -95.481
Base-Backbone interact. energy: -0.253
local terms energy: -102.818432
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -20.783
flat angles C4'-P-C4' energy: -20.142
flat angles P-C4'-P energy: -17.933
tors. eta vs tors. theta energy: -25.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -317.919644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.919644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.919644 (E_RNA)
where:
Base-Base interactions energy: -210.141
where: short stacking energy: -90.918
Base-Backbone interact. energy: -0.138
local terms energy: -107.640645
where:
bonds (distance) C4'-P energy: -24.662
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -23.480
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -26.504
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: 9
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -311.076840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.076840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.076840 (E_RNA)
where:
Base-Base interactions energy: -216.016
where: short stacking energy: -94.771
Base-Backbone interact. energy: -0.189
local terms energy: -94.871935
where:
bonds (distance) C4'-P energy: -21.186
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -24.312
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -26.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -290.460494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.460494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.460494 (E_RNA)
where:
Base-Base interactions energy: -194.984
where: short stacking energy: -76.396
Base-Backbone interact. energy: -0.135
local terms energy: -95.342141
where:
bonds (distance) C4'-P energy: -21.060
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -22.731
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -237.367939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.367939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.367939 (E_RNA)
where:
Base-Base interactions energy: -147.914
where: short stacking energy: -58.739
Base-Backbone interact. energy: -0.435
local terms energy: -89.018693
where:
bonds (distance) C4'-P energy: -21.208
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -14.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -182.710833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.710833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.710833 (E_RNA)
where:
Base-Base interactions energy: -103.235
where: short stacking energy: -45.911
Base-Backbone interact. energy: -0.068
local terms energy: -79.407924
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -22.168
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -10.180
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: 8, replica: 4
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -177.975834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.975834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.975834 (E_RNA)
where:
Base-Base interactions energy: -105.915
where: short stacking energy: -43.095
Base-Backbone interact. energy: 1.408
local terms energy: -73.468607
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -6.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -182.844973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.844973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.844973 (E_RNA)
where:
Base-Base interactions energy: -114.393
where: short stacking energy: -52.971
Base-Backbone interact. energy: 1.654
local terms energy: -70.105849
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -10.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -135.246484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.246484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.246484 (E_RNA)
where:
Base-Base interactions energy: -69.808
where: short stacking energy: -40.875
Base-Backbone interact. energy: 1.900
local terms energy: -67.338987
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -18.785
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -4.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -319.754700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.754700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.754700 (E_RNA)
where:
Base-Base interactions energy: -219.023
where: short stacking energy: -87.719
Base-Backbone interact. energy: -0.339
local terms energy: -100.392068
where:
bonds (distance) C4'-P energy: -22.957
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -20.832
flat angles P-C4'-P energy: -10.568
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: 290
Temperature: 0.950000
Total energy: -320.936446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.936446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.936446 (E_RNA)
where:
Base-Base interactions energy: -217.671
where: short stacking energy: -89.630
Base-Backbone interact. energy: -0.335
local terms energy: -102.930057
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -22.335
flat angles P-C4'-P energy: -16.476
tors. eta vs tors. theta energy: -25.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -320.048359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.048359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.048359 (E_RNA)
where:
Base-Base interactions energy: -216.611
where: short stacking energy: -95.887
Base-Backbone interact. energy: -0.381
local terms energy: -103.056130
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -22.610
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -28.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -312.862548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.862548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.862548 (E_RNA)
where:
Base-Base interactions energy: -220.005
where: short stacking energy: -96.351
Base-Backbone interact. energy: -0.116
local terms energy: -92.741074
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -20.837
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -25.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -277.943277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.943277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.943277 (E_RNA)
where:
Base-Base interactions energy: -195.135
where: short stacking energy: -74.167
Base-Backbone interact. energy: -0.281
local terms energy: -82.527050
where:
bonds (distance) C4'-P energy: -18.966
bonds (distance) P-C4' energy: -19.298
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -16.276
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: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -238.604364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.604364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.604364 (E_RNA)
where:
Base-Base interactions energy: -155.016
where: short stacking energy: -64.939
Base-Backbone interact. energy: 0.088
local terms energy: -83.675672
where:
bonds (distance) C4'-P energy: -17.473
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -21.188
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -18.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -186.993593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.993593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.993593 (E_RNA)
where:
Base-Base interactions energy: -110.729
where: short stacking energy: -57.679
Base-Backbone interact. energy: -0.058
local terms energy: -76.207270
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -21.400
flat angles C4'-P-C4' energy: -20.638
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -11.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -171.574675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.574675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.574675 (E_RNA)
where:
Base-Base interactions energy: -105.008
where: short stacking energy: -42.724
Base-Backbone interact. energy: -0.807
local terms energy: -65.760051
where:
bonds (distance) C4'-P energy: -10.416
bonds (distance) P-C4' energy: -19.456
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -11.521
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: 9, replica: 10
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -191.285707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.285707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.285707 (E_RNA)
where:
Base-Base interactions energy: -140.304
where: short stacking energy: -54.100
Base-Backbone interact. energy: 1.368
local terms energy: -52.349668
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -4.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -119.227558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.227558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.227558 (E_RNA)
where:
Base-Base interactions energy: -73.829
where: short stacking energy: -36.869
Base-Backbone interact. energy: -0.489
local terms energy: -44.909331
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -3.837
tors. eta vs tors. theta energy: -3.133
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: 5
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -330.041183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.041183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.041183 (E_RNA)
where:
Base-Base interactions energy: -227.214
where: short stacking energy: -101.979
Base-Backbone interact. energy: -0.197
local terms energy: -102.629740
where:
bonds (distance) C4'-P energy: -19.897
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -16.556
tors. eta vs tors. theta energy: -29.623
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: 2
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -325.287258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.287258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.287258 (E_RNA)
where:
Base-Base interactions energy: -219.569
where: short stacking energy: -92.008
Base-Backbone interact. energy: -0.735
local terms energy: -104.983648
where:
bonds (distance) C4'-P energy: -17.636
bonds (distance) P-C4' energy: -22.303
flat angles C4'-P-C4' energy: -21.791
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -30.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -315.532210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.532210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.532210 (E_RNA)
where:
Base-Base interactions energy: -210.811
where: short stacking energy: -91.505
Base-Backbone interact. energy: -0.691
local terms energy: -104.029747
where:
bonds (distance) C4'-P energy: -19.633
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -22.687
flat angles P-C4'-P energy: -15.473
tors. eta vs tors. theta energy: -27.517
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: 4, replica: 9
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -324.692966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.692966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.692966 (E_RNA)
where:
Base-Base interactions energy: -226.814
where: short stacking energy: -100.352
Base-Backbone interact. energy: -0.340
local terms energy: -97.539817
where:
bonds (distance) C4'-P energy: -18.904
bonds (distance) P-C4' energy: -18.220
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -14.701
tors. eta vs tors. theta energy: -28.163
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: 5, replica: 6
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -275.664655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.664655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.664655 (E_RNA)
where:
Base-Base interactions energy: -193.064
where: short stacking energy: -75.661
Base-Backbone interact. energy: -0.734
local terms energy: -81.866169
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -20.801
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: 291
Temperature: 1.150000
Total energy: -207.379618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.379618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.379618 (E_RNA)
where:
Base-Base interactions energy: -127.553
where: short stacking energy: -49.924
Base-Backbone interact. energy: -0.062
local terms energy: -79.764590
where:
bonds (distance) C4'-P energy: -21.780
bonds (distance) P-C4' energy: -21.982
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -9.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -222.720320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.720320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.720320 (E_RNA)
where:
Base-Base interactions energy: -146.117
where: short stacking energy: -55.423
Base-Backbone interact. energy: -0.124
local terms energy: -76.479398
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -16.031
tors. eta vs tors. theta energy: -8.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -201.843553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.843553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.843553 (E_RNA)
where:
Base-Base interactions energy: -133.203
where: short stacking energy: -63.800
Base-Backbone interact. energy: -0.598
local terms energy: -68.042610
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -16.807
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -11.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -146.786432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.786432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.786432 (E_RNA)
where:
Base-Base interactions energy: -80.582
where: short stacking energy: -43.897
Base-Backbone interact. energy: -0.335
local terms energy: -65.869436
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -2.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -96.045909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.045909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.045909 (E_RNA)
where:
Base-Base interactions energy: -35.631
where: short stacking energy: -33.162
Base-Backbone interact. energy: -0.170
local terms energy: -60.244861
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -18.913
flat angles P-C4'-P energy: -4.909
tors. eta vs tors. theta energy: -4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -331.993078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.993078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.993078 (E_RNA)
where:
Base-Base interactions energy: -233.090
where: short stacking energy: -103.829
Base-Backbone interact. energy: 1.260
local terms energy: -100.162545
where:
bonds (distance) C4'-P energy: -19.070
bonds (distance) P-C4' energy: -15.199
flat angles C4'-P-C4' energy: -22.165
flat angles P-C4'-P energy: -15.908
tors. eta vs tors. theta energy: -27.821
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: 2, replica: 5
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -322.005506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.005506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.005506 (E_RNA)
where:
Base-Base interactions energy: -221.770
where: short stacking energy: -93.700
Base-Backbone interact. energy: 0.036
local terms energy: -100.271364
where:
bonds (distance) C4'-P energy: -20.613
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -19.418
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -26.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -323.612981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.612981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.612981 (E_RNA)
where:
Base-Base interactions energy: -221.032
where: short stacking energy: -92.474
Base-Backbone interact. energy: -1.195
local terms energy: -101.385740
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -18.935
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: -28.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -315.097239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.097239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.097239 (E_RNA)
where:
Base-Base interactions energy: -215.208
where: short stacking energy: -87.691
Base-Backbone interact. energy: -0.612
local terms energy: -99.276805
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: -26.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -281.771294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.771294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.771294 (E_RNA)
where:
Base-Base interactions energy: -199.920
where: short stacking energy: -89.565
Base-Backbone interact. energy: -0.274
local terms energy: -81.576955
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -4.337
tors. eta vs tors. theta energy: -24.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -219.009778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.009778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.009778 (E_RNA)
where:
Base-Base interactions energy: -137.348
where: short stacking energy: -65.142
Base-Backbone interact. energy: -0.041
local terms energy: -81.620683
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -17.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -214.652386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.652386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.652386 (E_RNA)
where:
Base-Base interactions energy: -145.252
where: short stacking energy: -63.107
Base-Backbone interact. energy: 0.879
local terms energy: -70.279263
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -19.270
flat angles C4'-P-C4' energy: -20.649
flat angles P-C4'-P energy: -4.249
tors. eta vs tors. theta energy: -14.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -199.319277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.319277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.319277 (E_RNA)
where:
Base-Base interactions energy: -117.254
where: short stacking energy: -55.779
Base-Backbone interact. energy: -0.056
local terms energy: -82.008510
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -16.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -111.388326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.388326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.388326 (E_RNA)
where:
Base-Base interactions energy: -49.180
where: short stacking energy: -28.677
Base-Backbone interact. energy: -0.293
local terms energy: -61.915457
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -3.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -115.336350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.336350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.336350 (E_RNA)
where:
Base-Base interactions energy: -41.360
where: short stacking energy: -39.737
Base-Backbone interact. energy: 0.042
local terms energy: -74.018565
where:
bonds (distance) C4'-P energy: -18.882
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -18.685
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -6.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -334.604576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.604576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.604576 (E_RNA)
where:
Base-Base interactions energy: -236.511
where: short stacking energy: -99.180
Base-Backbone interact. energy: -0.039
local terms energy: -98.054571
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -21.004
flat angles C4'-P-C4' energy: -20.625
flat angles P-C4'-P energy: -14.509
tors. eta vs tors. theta energy: -22.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -333.978315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.978315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.978315 (E_RNA)
where:
Base-Base interactions energy: -236.808
where: short stacking energy: -93.494
Base-Backbone interact. energy: -0.829
local terms energy: -96.341731
where:
bonds (distance) C4'-P energy: -20.170
bonds (distance) P-C4' energy: -22.867
flat angles C4'-P-C4' energy: -20.227
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: -27.515
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: 5
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -315.372423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.372423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.372423 (E_RNA)
where:
Base-Base interactions energy: -207.991
where: short stacking energy: -92.648
Base-Backbone interact. energy: -0.833
local terms energy: -106.548102
where:
bonds (distance) C4'-P energy: -20.974
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -15.646
tors. eta vs tors. theta energy: -29.599
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: 7
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -313.363673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.363673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.363673 (E_RNA)
where:
Base-Base interactions energy: -218.066
where: short stacking energy: -95.964
Base-Backbone interact. energy: -0.390
local terms energy: -94.906983
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -19.323
flat angles C4'-P-C4' energy: -21.966
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -25.099
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: 6
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -279.255508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.255508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.255508 (E_RNA)
where:
Base-Base interactions energy: -187.613
where: short stacking energy: -83.173
Base-Backbone interact. energy: -0.533
local terms energy: -91.109905
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -18.356
flat angles C4'-P-C4' energy: -19.533
flat angles P-C4'-P energy: -14.483
tors. eta vs tors. theta energy: -21.825
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: 6, replica: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -225.790826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.790826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.790826 (E_RNA)
where:
Base-Base interactions energy: -145.532
where: short stacking energy: -68.547
Base-Backbone interact. energy: -0.638
local terms energy: -79.620201
where:
bonds (distance) C4'-P energy: -19.484
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -20.034
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: 293
Temperature: 1.200000
Total energy: -199.626647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.626647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.626647 (E_RNA)
where:
Base-Base interactions energy: -119.686
where: short stacking energy: -55.804
Base-Backbone interact. energy: -0.191
local terms energy: -79.749204
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -19.668
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -10.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -199.577257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.577257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.577257 (E_RNA)
where:
Base-Base interactions energy: -120.234
where: short stacking energy: -58.913
Base-Backbone interact. energy: 0.460
local terms energy: -79.802461
where:
bonds (distance) C4'-P energy: -21.703
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -13.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -107.611294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.611294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.611294 (E_RNA)
where:
Base-Base interactions energy: -48.442
where: short stacking energy: -48.174
Base-Backbone interact. energy: 0.691
local terms energy: -59.860490
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -20.230
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: -9.073
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: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -97.803311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.803311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.803311 (E_RNA)
where:
Base-Base interactions energy: -31.391
where: short stacking energy: -25.238
Base-Backbone interact. energy: -0.120
local terms energy: -66.293069
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -23.515
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -1.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -332.205813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.205813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.205813 (E_RNA)
where:
Base-Base interactions energy: -229.780
where: short stacking energy: -85.798
Base-Backbone interact. energy: -0.710
local terms energy: -101.716559
where:
bonds (distance) C4'-P energy: -21.478
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -24.894
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -27.968
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: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -326.251219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.251219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.251219 (E_RNA)
where:
Base-Base interactions energy: -216.347
where: short stacking energy: -96.867
Base-Backbone interact. energy: -0.729
local terms energy: -109.175739
where:
bonds (distance) C4'-P energy: -20.835
bonds (distance) P-C4' energy: -21.732
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -31.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -312.416338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.416338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.416338 (E_RNA)
where:
Base-Base interactions energy: -218.263
where: short stacking energy: -90.228
Base-Backbone interact. energy: -0.415
local terms energy: -93.737919
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -20.047
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -28.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -311.532003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.532003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.532003 (E_RNA)
where:
Base-Base interactions energy: -214.920
where: short stacking energy: -90.643
Base-Backbone interact. energy: -0.057
local terms energy: -96.555776
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -20.685
flat angles C4'-P-C4' energy: -22.133
flat angles P-C4'-P energy: -13.700
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: 5, replica: 6
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -286.188530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.188530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.188530 (E_RNA)
where:
Base-Base interactions energy: -197.763
where: short stacking energy: -74.984
Base-Backbone interact. energy: 0.621
local terms energy: -89.045925
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -21.163
flat angles C4'-P-C4' energy: -19.185
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -21.148
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: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -216.631821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.631821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.631821 (E_RNA)
where:
Base-Base interactions energy: -137.107
where: short stacking energy: -65.497
Base-Backbone interact. energy: -0.069
local terms energy: -79.456018
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -17.537
flat angles C4'-P-C4' energy: -20.515
flat angles P-C4'-P energy: -15.445
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: 7, replica: 1
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -214.463688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.463688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.463688 (E_RNA)
where:
Base-Base interactions energy: -127.162
where: short stacking energy: -46.122
Base-Backbone interact. energy: -0.395
local terms energy: -86.905937
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -8.509
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: 8, replica: 4
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -157.803219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.803219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.803219 (E_RNA)
where:
Base-Base interactions energy: -92.462
where: short stacking energy: -44.003
Base-Backbone interact. energy: -0.790
local terms energy: -64.551567
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -3.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -124.739579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.739579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.739579 (E_RNA)
where:
Base-Base interactions energy: -53.096
where: short stacking energy: -43.058
Base-Backbone interact. energy: -0.018
local terms energy: -71.625566
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -12.971
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: 10, replica: 8
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -92.537527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.537527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.537527 (E_RNA)
where:
Base-Base interactions energy: -41.135
where: short stacking energy: -35.736
Base-Backbone interact. energy: -0.378
local terms energy: -51.024924
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -10.094
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: 0.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -325.372323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.372323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.372323 (E_RNA)
where:
Base-Base interactions energy: -221.136
where: short stacking energy: -97.917
Base-Backbone interact. energy: -0.105
local terms energy: -104.131182
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -15.886
tors. eta vs tors. theta energy: -29.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -323.131324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.131324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.131324 (E_RNA)
where:
Base-Base interactions energy: -218.264
where: short stacking energy: -95.626
Base-Backbone interact. energy: -0.151
local terms energy: -104.715947
where:
bonds (distance) C4'-P energy: -22.005
bonds (distance) P-C4' energy: -22.640
flat angles C4'-P-C4' energy: -26.299
flat angles P-C4'-P energy: -14.411
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: 3, replica: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -313.776731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.776731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.776731 (E_RNA)
where:
Base-Base interactions energy: -210.373
where: short stacking energy: -83.120
Base-Backbone interact. energy: -2.065
local terms energy: -101.338728
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -20.859
flat angles C4'-P-C4' energy: -21.878
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -25.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -285.645422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.645422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.645422 (E_RNA)
where:
Base-Base interactions energy: -192.754
where: short stacking energy: -81.978
Base-Backbone interact. energy: -0.004
local terms energy: -92.887553
where:
bonds (distance) C4'-P energy: -20.175
bonds (distance) P-C4' energy: -19.987
flat angles C4'-P-C4' energy: -21.946
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -22.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -312.289424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.289424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.289424 (E_RNA)
where:
Base-Base interactions energy: -210.270
where: short stacking energy: -86.033
Base-Backbone interact. energy: -0.940
local terms energy: -101.079110
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -23.377
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -26.755
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: 6, replica: 1
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -213.312265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.312265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.312265 (E_RNA)
where:
Base-Base interactions energy: -135.516
where: short stacking energy: -66.079
Base-Backbone interact. energy: -1.295
local terms energy: -76.501740
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -21.451
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -11.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -231.054501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.054501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.054501 (E_RNA)
where:
Base-Base interactions energy: -146.686
where: short stacking energy: -75.225
Base-Backbone interact. energy: -0.344
local terms energy: -84.024136
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -21.333
flat angles C4'-P-C4' energy: -20.712
flat angles P-C4'-P energy: -7.327
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: 8, replica: 4
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -156.469063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.469063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.469063 (E_RNA)
where:
Base-Base interactions energy: -89.339
where: short stacking energy: -60.254
Base-Backbone interact. energy: -0.418
local terms energy: -66.712359
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -10.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -124.303758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.303758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.303758 (E_RNA)
where:
Base-Base interactions energy: -53.188
where: short stacking energy: -37.174
Base-Backbone interact. energy: 0.900
local terms energy: -72.015354
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -22.415
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -5.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -95.167483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.167483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.167483 (E_RNA)
where:
Base-Base interactions energy: -32.022
where: short stacking energy: -24.086
Base-Backbone interact. energy: -0.379
local terms energy: -62.766958
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -2.562
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: 7
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -329.614558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.614558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.614558 (E_RNA)
where:
Base-Base interactions energy: -225.582
where: short stacking energy: -92.386
Base-Backbone interact. energy: -0.216
local terms energy: -103.817399
where:
bonds (distance) C4'-P energy: -21.943
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -22.942
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -26.981
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: 9
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -324.831029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.831029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.831029 (E_RNA)
where:
Base-Base interactions energy: -224.293
where: short stacking energy: -99.012
Base-Backbone interact. energy: -0.230
local terms energy: -100.307793
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -19.196
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -29.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -288.780376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.780376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.780376 (E_RNA)
where:
Base-Base interactions energy: -188.648
where: short stacking energy: -79.564
Base-Backbone interact. energy: -1.043
local terms energy: -99.089860
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: -22.191
flat angles P-C4'-P energy: -14.626
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: 4, replica: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -307.932814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.932814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.932814 (E_RNA)
where:
Base-Base interactions energy: -217.548
where: short stacking energy: -91.669
Base-Backbone interact. energy: -0.352
local terms energy: -90.032829
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -22.014
flat angles C4'-P-C4' energy: -23.677
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -21.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -314.041460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.041460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.041460 (E_RNA)
where:
Base-Base interactions energy: -219.932
where: short stacking energy: -92.149
Base-Backbone interact. energy: -0.140
local terms energy: -93.970008
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -14.506
tors. eta vs tors. theta energy: -25.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -206.092313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.092313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.092313 (E_RNA)
where:
Base-Base interactions energy: -120.253
where: short stacking energy: -57.638
Base-Backbone interact. energy: -0.760
local terms energy: -85.078920
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -20.239
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -16.051
tors. eta vs tors. theta energy: -15.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -238.009367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.009367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.009367 (E_RNA)
where:
Base-Base interactions energy: -166.530
where: short stacking energy: -65.658
Base-Backbone interact. energy: -0.548
local terms energy: -70.931768
where:
bonds (distance) C4'-P energy: -18.738
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -10.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -123.864388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.864388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.864388 (E_RNA)
where:
Base-Base interactions energy: -50.129
where: short stacking energy: -43.715
Base-Backbone interact. energy: 1.143
local terms energy: -74.878731
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -6.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -98.238807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.238807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.238807 (E_RNA)
where:
Base-Base interactions energy: -33.426
where: short stacking energy: -29.512
Base-Backbone interact. energy: -0.266
local terms energy: -64.546817
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: 0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -111.633590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.633590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.633590 (E_RNA)
where:
Base-Base interactions energy: -43.302
where: short stacking energy: -33.130
Base-Backbone interact. energy: -0.190
local terms energy: -68.141420
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -4.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -328.139433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.139433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.139433 (E_RNA)
where:
Base-Base interactions energy: -222.530
where: short stacking energy: -95.613
Base-Backbone interact. energy: -0.121
local terms energy: -105.488949
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -18.985
flat angles C4'-P-C4' energy: -23.179
flat angles P-C4'-P energy: -18.136
tors. eta vs tors. theta energy: -23.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -329.577884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.577884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.577884 (E_RNA)
where:
Base-Base interactions energy: -224.199
where: short stacking energy: -98.902
Base-Backbone interact. energy: -1.441
local terms energy: -103.938168
where:
bonds (distance) C4'-P energy: -18.775
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -17.544
tors. eta vs tors. theta energy: -27.331
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: 297
Temperature: 1.000000
Total energy: -285.734682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.734682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.734682 (E_RNA)
where:
Base-Base interactions energy: -189.974
where: short stacking energy: -87.491
Base-Backbone interact. energy: -0.150
local terms energy: -95.610483
where:
bonds (distance) C4'-P energy: -20.156
bonds (distance) P-C4' energy: -21.194
flat angles C4'-P-C4' energy: -20.567
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -21.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -317.989228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.989228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.989228 (E_RNA)
where:
Base-Base interactions energy: -220.266
where: short stacking energy: -99.024
Base-Backbone interact. energy: -0.296
local terms energy: -97.427353
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -18.003
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -29.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -299.188621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.188621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.188621 (E_RNA)
where:
Base-Base interactions energy: -201.814
where: short stacking energy: -72.466
Base-Backbone interact. energy: -1.837
local terms energy: -95.537646
where:
bonds (distance) C4'-P energy: -19.544
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -20.815
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: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -261.214613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.214613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.214613 (E_RNA)
where:
Base-Base interactions energy: -178.525
where: short stacking energy: -64.553
Base-Backbone interact. energy: -1.473
local terms energy: -81.216369
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -12.694
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: 7, replica: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -199.746236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.746236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.746236 (E_RNA)
where:
Base-Base interactions energy: -124.959
where: short stacking energy: -62.004
Base-Backbone interact. energy: 1.763
local terms energy: -76.549790
where:
bonds (distance) C4'-P energy: -19.329
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -12.145
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: 297
Temperature: 1.250000
Total energy: -114.578222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.578222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.578222 (E_RNA)
where:
Base-Base interactions energy: -40.330
where: short stacking energy: -40.020
Base-Backbone interact. energy: -0.330
local terms energy: -73.917780
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -21.840
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -6.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -120.146209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.146209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.146209 (E_RNA)
where:
Base-Base interactions energy: -51.743
where: short stacking energy: -31.519
Base-Backbone interact. energy: 0.760
local terms energy: -69.163507
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -6.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -97.985775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.985775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.985775 (E_RNA)
where:
Base-Base interactions energy: -45.553
where: short stacking energy: -24.644
Base-Backbone interact. energy: -0.453
local terms energy: -51.979889
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -3.379
tors. eta vs tors. theta energy: 1.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -335.096531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.096531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.096531 (E_RNA)
where:
Base-Base interactions energy: -227.899
where: short stacking energy: -99.483
Base-Backbone interact. energy: -0.783
local terms energy: -106.413816
where:
bonds (distance) C4'-P energy: -21.039
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -30.943
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: 2, replica: 7
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -325.850974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.850974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.850974 (E_RNA)
where:
Base-Base interactions energy: -219.440
where: short stacking energy: -99.036
Base-Backbone interact. energy: -0.884
local terms energy: -105.526731
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -23.142
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -28.096
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: 3, replica: 5
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -314.501564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.501564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.501564 (E_RNA)
where:
Base-Base interactions energy: -215.586
where: short stacking energy: -86.649
Base-Backbone interact. energy: -0.305
local terms energy: -98.610012
where:
bonds (distance) C4'-P energy: -20.808
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -19.799
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -23.711
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: 6
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -294.664246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.664246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.664246 (E_RNA)
where:
Base-Base interactions energy: -199.803
where: short stacking energy: -88.958
Base-Backbone interact. energy: -0.136
local terms energy: -94.725385
where:
bonds (distance) C4'-P energy: -20.840
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -24.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -299.112538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.112538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.112538 (E_RNA)
where:
Base-Base interactions energy: -202.574
where: short stacking energy: -91.117
Base-Backbone interact. energy: -0.133
local terms energy: -96.405841
where:
bonds (distance) C4'-P energy: -18.775
bonds (distance) P-C4' energy: -19.773
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -29.292
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: 6, replica: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -266.663557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.663557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.663557 (E_RNA)
where:
Base-Base interactions energy: -172.964
where: short stacking energy: -75.530
Base-Backbone interact. energy: -0.696
local terms energy: -93.003632
where:
bonds (distance) C4'-P energy: -22.699
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -21.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -197.670765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.670765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.670765 (E_RNA)
where:
Base-Base interactions energy: -119.576
where: short stacking energy: -62.417
Base-Backbone interact. energy: -0.585
local terms energy: -77.509394
where:
bonds (distance) C4'-P energy: -22.528
bonds (distance) P-C4' energy: -19.963
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -9.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -116.495517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.495517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.495517 (E_RNA)
where:
Base-Base interactions energy: -46.319
where: short stacking energy: -28.781
Base-Backbone interact. energy: 0.021
local terms energy: -70.196707
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -19.672
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: -3.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -95.604749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.604749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.604749 (E_RNA)
where:
Base-Base interactions energy: -48.234
where: short stacking energy: -28.619
Base-Backbone interact. energy: -0.098
local terms energy: -47.272553
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -4.357
tors. eta vs tors. theta energy: -2.329
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: 4
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -109.814964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.814964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.814964 (E_RNA)
where:
Base-Base interactions energy: -43.671
where: short stacking energy: -32.861
Base-Backbone interact. energy: -0.901
local terms energy: -65.242777
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: 0.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -331.087273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.087273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.087273 (E_RNA)
where:
Base-Base interactions energy: -222.531
where: short stacking energy: -95.916
Base-Backbone interact. energy: -0.679
local terms energy: -107.876825
where:
bonds (distance) C4'-P energy: -21.730
bonds (distance) P-C4' energy: -22.651
flat angles C4'-P-C4' energy: -23.229
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -27.609
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: 5
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -323.821256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.821256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.821256 (E_RNA)
where:
Base-Base interactions energy: -227.054
where: short stacking energy: -98.343
Base-Backbone interact. energy: -0.097
local terms energy: -96.670434
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -21.906
flat angles P-C4'-P energy: -15.147
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: 3, replica: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -324.596906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.596906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.596906 (E_RNA)
where:
Base-Base interactions energy: -222.714
where: short stacking energy: -98.474
Base-Backbone interact. energy: -1.415
local terms energy: -100.468465
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -27.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -290.999197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.999197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.999197 (E_RNA)
where:
Base-Base interactions energy: -189.108
where: short stacking energy: -85.953
Base-Backbone interact. energy: -0.114
local terms energy: -101.776642
where:
bonds (distance) C4'-P energy: -19.152
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -22.862
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -27.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -313.347957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.347957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.347957 (E_RNA)
where:
Base-Base interactions energy: -221.933
where: short stacking energy: -94.775
Base-Backbone interact. energy: -1.648
local terms energy: -89.767104
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -28.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -262.108799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.108799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.108799 (E_RNA)
where:
Base-Base interactions energy: -177.939
where: short stacking energy: -70.483
Base-Backbone interact. energy: -0.087
local terms energy: -84.082702
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -19.135
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -19.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -191.246998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.246998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.246998 (E_RNA)
where:
Base-Base interactions energy: -111.715
where: short stacking energy: -62.073
Base-Backbone interact. energy: -0.114
local terms energy: -79.417951
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -15.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -108.179886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.179886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.179886 (E_RNA)
where:
Base-Base interactions energy: -36.562
where: short stacking energy: -36.662
Base-Backbone interact. energy: -0.172
local terms energy: -71.445133
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -6.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -113.647681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.647681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.647681 (E_RNA)
where:
Base-Base interactions energy: -39.140
where: short stacking energy: -39.140
Base-Backbone interact. energy: -0.308
local terms energy: -74.199824
where:
bonds (distance) C4'-P energy: -20.472
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -20.519
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -8.891
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: 4
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -109.769044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.769044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.769044 (E_RNA)
where:
Base-Base interactions energy: -42.868
where: short stacking energy: -29.118
Base-Backbone interact. energy: -0.232
local terms energy: -66.669469
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: 4.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -325.592042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.592042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.592042 (E_RNA)
where:
Base-Base interactions energy: -221.849
where: short stacking energy: -98.466
Base-Backbone interact. energy: -0.132
local terms energy: -103.611399
where:
bonds (distance) C4'-P energy: -22.081
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -22.089
flat angles P-C4'-P energy: -16.818
tors. eta vs tors. theta energy: -28.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -319.172505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.172505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.172505 (E_RNA)
where:
Base-Base interactions energy: -214.452
where: short stacking energy: -98.265
Base-Backbone interact. energy: -0.270
local terms energy: -104.450371
where:
bonds (distance) C4'-P energy: -20.023
bonds (distance) P-C4' energy: -19.901
flat angles C4'-P-C4' energy: -22.777
flat angles P-C4'-P energy: -17.319
tors. eta vs tors. theta energy: -24.430
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: 7
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -322.169558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.169558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.169558 (E_RNA)
where:
Base-Base interactions energy: -215.858
where: short stacking energy: -89.274
Base-Backbone interact. energy: -0.513
local terms energy: -105.797919
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -21.538
flat angles P-C4'-P energy: -18.729
tors. eta vs tors. theta energy: -26.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -290.733178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.733178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.733178 (E_RNA)
where:
Base-Base interactions energy: -193.137
where: short stacking energy: -85.083
Base-Backbone interact. energy: -0.169
local terms energy: -97.427012
where:
bonds (distance) C4'-P energy: -20.564
bonds (distance) P-C4' energy: -21.721
flat angles C4'-P-C4' energy: -21.340
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -23.677
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: 2
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -313.986859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.986859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.986859 (E_RNA)
where:
Base-Base interactions energy: -218.519
where: short stacking energy: -99.468
Base-Backbone interact. energy: -0.103
local terms energy: -95.364288
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -19.406
flat angles C4'-P-C4' energy: -19.615
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -27.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -269.437378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.437378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.437378 (E_RNA)
where:
Base-Base interactions energy: -186.638
where: short stacking energy: -78.149
Base-Backbone interact. energy: -0.232
local terms energy: -82.567905
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -19.433
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -18.877
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: 300
Temperature: 1.200000
Total energy: -213.728792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.728792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.728792 (E_RNA)
where:
Base-Base interactions energy: -140.239
where: short stacking energy: -69.420
Base-Backbone interact. energy: -1.408
local terms energy: -72.082019
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -8.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -116.574381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.574381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.574381 (E_RNA)
where:
Base-Base interactions energy: -58.726
where: short stacking energy: -55.138
Base-Backbone interact. energy: 1.267
local terms energy: -59.115959
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -5.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -121.228812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.228812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.228812 (E_RNA)
where:
Base-Base interactions energy: -63.002
where: short stacking energy: -38.960
Base-Backbone interact. energy: -0.748
local terms energy: -57.478792
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -20.224
flat angles P-C4'-P energy: 0.172
tors. eta vs tors. theta energy: -2.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -113.544290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.544290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.544290 (E_RNA)
where:
Base-Base interactions energy: -48.958
where: short stacking energy: -45.298
Base-Backbone interact. energy: -0.108
local terms energy: -64.477743
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -13.231
tors. eta vs tors. theta energy: -6.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -325.673924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.673924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.673924 (E_RNA)
where:
Base-Base interactions energy: -224.833
where: short stacking energy: -97.048
Base-Backbone interact. energy: -0.162
local terms energy: -100.679584
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -21.807
flat angles C4'-P-C4' energy: -20.973
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -27.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -329.316577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.316577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.316577 (E_RNA)
where:
Base-Base interactions energy: -225.630
where: short stacking energy: -95.712
Base-Backbone interact. energy: -0.636
local terms energy: -103.050656
where:
bonds (distance) C4'-P energy: -20.676
bonds (distance) P-C4' energy: -19.819
flat angles C4'-P-C4' energy: -21.813
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -26.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -313.195455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.195455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.195455 (E_RNA)
where:
Base-Base interactions energy: -213.138
where: short stacking energy: -96.418
Base-Backbone interact. energy: -0.593
local terms energy: -99.464311
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -22.746
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -29.522
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: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -303.710402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.710402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.710402 (E_RNA)
where:
Base-Base interactions energy: -210.766
where: short stacking energy: -87.785
Base-Backbone interact. energy: 0.277
local terms energy: -93.220816
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -20.255
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -23.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -277.720792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.720792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.720792 (E_RNA)
where:
Base-Base interactions energy: -193.579
where: short stacking energy: -81.515
Base-Backbone interact. energy: -0.187
local terms energy: -83.954765
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -19.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -257.184998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.184998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.184998 (E_RNA)
where:
Base-Base interactions energy: -179.005
where: short stacking energy: -64.404
Base-Backbone interact. energy: 1.524
local terms energy: -79.703337
where:
bonds (distance) C4'-P energy: -17.323
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -20.409
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -13.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -199.613679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.613679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.613679 (E_RNA)
where:
Base-Base interactions energy: -134.092
where: short stacking energy: -58.043
Base-Backbone interact. energy: 3.776
local terms energy: -69.297870
where:
bonds (distance) C4'-P energy: -21.490
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -5.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -116.156378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.156378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.156378 (E_RNA)
where:
Base-Base interactions energy: -47.489
where: short stacking energy: -30.150
Base-Backbone interact. energy: -0.430
local terms energy: -68.237630
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -14.308
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: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -110.932540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.932540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.932540 (E_RNA)
where:
Base-Base interactions energy: -44.678
where: short stacking energy: -40.784
Base-Backbone interact. energy: -0.246
local terms energy: -66.008481
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -8.203
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -6.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -100.374763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.374763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.374763 (E_RNA)
where:
Base-Base interactions energy: -34.778
where: short stacking energy: -31.258
Base-Backbone interact. energy: 2.009
local terms energy: -67.606004
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -15.246
tors. eta vs tors. theta energy: -1.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -330.562119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.562119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.562119 (E_RNA)
where:
Base-Base interactions energy: -224.460
where: short stacking energy: -98.202
Base-Backbone interact. energy: -0.101
local terms energy: -106.001667
where:
bonds (distance) C4'-P energy: -21.371
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -23.253
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -26.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -322.901832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.901832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.901832 (E_RNA)
where:
Base-Base interactions energy: -225.361
where: short stacking energy: -98.515
Base-Backbone interact. energy: -0.151
local terms energy: -97.390365
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -26.668
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: 2
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -320.495427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.495427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.495427 (E_RNA)
where:
Base-Base interactions energy: -221.493
where: short stacking energy: -92.930
Base-Backbone interact. energy: -0.138
local terms energy: -98.864395
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -26.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -314.162408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.162408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.162408 (E_RNA)
where:
Base-Base interactions energy: -213.585
where: short stacking energy: -93.026
Base-Backbone interact. energy: -0.268
local terms energy: -100.309111
where:
bonds (distance) C4'-P energy: -21.805
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -19.569
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -23.606
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: 6
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -279.920742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.920742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.920742 (E_RNA)
where:
Base-Base interactions energy: -184.168
where: short stacking energy: -78.505
Base-Backbone interact. energy: 0.325
local terms energy: -96.077667
where:
bonds (distance) C4'-P energy: -19.389
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -24.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -252.122647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.122647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.122647 (E_RNA)
where:
Base-Base interactions energy: -161.169
where: short stacking energy: -76.758
Base-Backbone interact. energy: -0.084
local terms energy: -90.869098
where:
bonds (distance) C4'-P energy: -19.564
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -23.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -201.501271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.501271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.501271 (E_RNA)
where:
Base-Base interactions energy: -121.967
where: short stacking energy: -50.694
Base-Backbone interact. energy: -0.117
local terms energy: -79.417492
where:
bonds (distance) C4'-P energy: -21.035
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -13.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -117.548173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.548173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.548173 (E_RNA)
where:
Base-Base interactions energy: -52.253
where: short stacking energy: -36.812
Base-Backbone interact. energy: 0.475
local terms energy: -65.770167
where:
bonds (distance) C4'-P energy: -19.331
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -11.218
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: 302
Temperature: 1.300000
Total energy: -99.871935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.871935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.871935 (E_RNA)
where:
Base-Base interactions energy: -33.837
where: short stacking energy: -33.649
Base-Backbone interact. energy: -0.339
local terms energy: -65.695451
where:
bonds (distance) C4'-P energy: -18.125
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -5.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -95.566355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.566355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.566355 (E_RNA)
where:
Base-Base interactions energy: -32.118
where: short stacking energy: -22.549
Base-Backbone interact. energy: -0.208
local terms energy: -63.240425
where:
bonds (distance) C4'-P energy: -17.803
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: -1.645
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: 303
Temperature: 0.900000
Total energy: -319.144413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.144413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.144413 (E_RNA)
where:
Base-Base interactions energy: -219.782
where: short stacking energy: -100.056
Base-Backbone interact. energy: -0.254
local terms energy: -99.108239
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -22.444
flat angles P-C4'-P energy: -12.935
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: 2, replica: 2
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -323.471309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.471309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.471309 (E_RNA)
where:
Base-Base interactions energy: -224.082
where: short stacking energy: -100.716
Base-Backbone interact. energy: 0.115
local terms energy: -99.505047
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -28.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -320.168877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.168877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.168877 (E_RNA)
where:
Base-Base interactions energy: -220.868
where: short stacking energy: -98.477
Base-Backbone interact. energy: 0.469
local terms energy: -99.769793
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -21.386
flat angles P-C4'-P energy: -17.638
tors. eta vs tors. theta energy: -27.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -287.106886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.106886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.106886 (E_RNA)
where:
Base-Base interactions energy: -201.065
where: short stacking energy: -80.058
Base-Backbone interact. energy: -0.045
local terms energy: -85.996753
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -18.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -308.333159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.333159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.333159 (E_RNA)
where:
Base-Base interactions energy: -208.304
where: short stacking energy: -94.283
Base-Backbone interact. energy: -0.442
local terms energy: -99.587292
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -19.724
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -28.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -209.488001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.488001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.488001 (E_RNA)
where:
Base-Base interactions energy: -133.402
where: short stacking energy: -67.315
Base-Backbone interact. energy: -0.459
local terms energy: -75.627006
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -20.483
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -12.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -231.208271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.208271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.208271 (E_RNA)
where:
Base-Base interactions energy: -162.418
where: short stacking energy: -64.286
Base-Backbone interact. energy: -0.266
local terms energy: -68.523433
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -15.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -121.904435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.904435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.904435 (E_RNA)
where:
Base-Base interactions energy: -55.211
where: short stacking energy: -52.006
Base-Backbone interact. energy: -0.385
local terms energy: -66.308343
where:
bonds (distance) C4'-P energy: -8.226
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -7.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -121.885207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.885207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.885207 (E_RNA)
where:
Base-Base interactions energy: -65.897
where: short stacking energy: -50.441
Base-Backbone interact. energy: -0.209
local terms energy: -55.779140
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: -3.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -94.656961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.656961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.656961 (E_RNA)
where:
Base-Base interactions energy: -35.589
where: short stacking energy: -33.539
Base-Backbone interact. energy: -0.329
local terms energy: -58.739194
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -3.888
tors. eta vs tors. theta energy: 1.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -318.513691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.513691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.513691 (E_RNA)
where:
Base-Base interactions energy: -221.491
where: short stacking energy: -97.064
Base-Backbone interact. energy: -0.115
local terms energy: -96.907138
where:
bonds (distance) C4'-P energy: -20.095
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -21.802
flat angles P-C4'-P energy: -16.399
tors. eta vs tors. theta energy: -25.090
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: 2, replica: 7
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -323.670313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.670313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.670313 (E_RNA)
where:
Base-Base interactions energy: -230.097
where: short stacking energy: -98.533
Base-Backbone interact. energy: -0.167
local terms energy: -93.405887
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -20.341
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -26.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -316.949163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.949163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.949163 (E_RNA)
where:
Base-Base interactions energy: -217.341
where: short stacking energy: -88.875
Base-Backbone interact. energy: -0.100
local terms energy: -99.507824
where:
bonds (distance) C4'-P energy: -18.614
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -15.191
tors. eta vs tors. theta energy: -28.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -286.880656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.880656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.880656 (E_RNA)
where:
Base-Base interactions energy: -194.964
where: short stacking energy: -84.251
Base-Backbone interact. energy: -0.033
local terms energy: -91.883615
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -19.419
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -23.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -297.436579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.436579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.436579 (E_RNA)
where:
Base-Base interactions energy: -211.512
where: short stacking energy: -91.849
Base-Backbone interact. energy: -1.016
local terms energy: -84.908250
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -19.550
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -24.314
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: 1
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -219.732504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.732504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.732504 (E_RNA)
where:
Base-Base interactions energy: -131.159
where: short stacking energy: -62.521
Base-Backbone interact. energy: -0.845
local terms energy: -87.728978
where:
bonds (distance) C4'-P energy: -19.926
bonds (distance) P-C4' energy: -21.521
flat angles C4'-P-C4' energy: -21.555
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -16.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -219.465353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.465353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.465353 (E_RNA)
where:
Base-Base interactions energy: -146.150
where: short stacking energy: -67.928
Base-Backbone interact. energy: -0.146
local terms energy: -73.169476
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -20.497
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -11.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -139.198182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.198182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.198182 (E_RNA)
where:
Base-Base interactions energy: -71.577
where: short stacking energy: -47.825
Base-Backbone interact. energy: -0.662
local terms energy: -66.959584
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -10.778
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: 9, replica: 8
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -103.835972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.835972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.835972 (E_RNA)
where:
Base-Base interactions energy: -38.482
where: short stacking energy: -26.729
Base-Backbone interact. energy: -0.671
local terms energy: -64.683231
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: 1.265
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: 4
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -98.623279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.623279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.623279 (E_RNA)
where:
Base-Base interactions energy: -34.261
where: short stacking energy: -34.175
Base-Backbone interact. energy: -0.169
local terms energy: -64.193081
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -13.117
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: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -332.159737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.159737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.159737 (E_RNA)
where:
Base-Base interactions energy: -231.646
where: short stacking energy: -97.368
Base-Backbone interact. energy: -0.140
local terms energy: -100.373509
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -19.139
flat angles P-C4'-P energy: -16.416
tors. eta vs tors. theta energy: -27.089
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: 5
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -320.923415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.923415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.923415 (E_RNA)
where:
Base-Base interactions energy: -219.799
where: short stacking energy: -98.585
Base-Backbone interact. energy: -0.199
local terms energy: -100.924916
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -17.183
flat angles C4'-P-C4' energy: -21.408
flat angles P-C4'-P energy: -17.223
tors. eta vs tors. theta energy: -27.340
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: 3, replica: 7
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -321.448529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.448529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.448529 (E_RNA)
where:
Base-Base interactions energy: -223.148
where: short stacking energy: -93.542
Base-Backbone interact. energy: -0.085
local terms energy: -98.215348
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -21.320
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -25.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -294.920021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.920021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.920021 (E_RNA)
where:
Base-Base interactions energy: -193.007
where: short stacking energy: -89.475
Base-Backbone interact. energy: -0.273
local terms energy: -101.640278
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -22.238
flat angles C4'-P-C4' energy: -22.448
flat angles P-C4'-P energy: -16.485
tors. eta vs tors. theta energy: -26.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -278.166626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.166626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.166626 (E_RNA)
where:
Base-Base interactions energy: -183.539
where: short stacking energy: -78.967
Base-Backbone interact. energy: 0.238
local terms energy: -94.865267
where:
bonds (distance) C4'-P energy: -20.472
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -10.456
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: 6, replica: 3
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -231.834319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.834319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.834319 (E_RNA)
where:
Base-Base interactions energy: -147.310
where: short stacking energy: -72.270
Base-Backbone interact. energy: 0.160
local terms energy: -84.683911
where:
bonds (distance) C4'-P energy: -20.212
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -14.112
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: 1
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -220.478724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.478724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.478724 (E_RNA)
where:
Base-Base interactions energy: -146.057
where: short stacking energy: -61.019
Base-Backbone interact. energy: -0.220
local terms energy: -74.201777
where:
bonds (distance) C4'-P energy: -19.185
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -14.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -126.378215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.378215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.378215 (E_RNA)
where:
Base-Base interactions energy: -60.094
where: short stacking energy: -49.425
Base-Backbone interact. energy: 1.153
local terms energy: -67.436957
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -9.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -120.329178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.329178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.329178 (E_RNA)
where:
Base-Base interactions energy: -62.563
where: short stacking energy: -32.400
Base-Backbone interact. energy: 1.174
local terms energy: -58.940061
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -2.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -94.255874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.255874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.255874 (E_RNA)
where:
Base-Base interactions energy: -36.320
where: short stacking energy: -35.419
Base-Backbone interact. energy: -0.467
local terms energy: -57.468508
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -18.670
flat angles C4'-P-C4' energy: -19.171
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: 1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -334.393473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.393473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.393473 (E_RNA)
where:
Base-Base interactions energy: -224.165
where: short stacking energy: -102.222
Base-Backbone interact. energy: -0.666
local terms energy: -109.562279
where:
bonds (distance) C4'-P energy: -19.040
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -25.369
flat angles P-C4'-P energy: -20.319
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: 2
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -329.941458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.941458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.941458 (E_RNA)
where:
Base-Base interactions energy: -222.749
where: short stacking energy: -94.411
Base-Backbone interact. energy: -0.648
local terms energy: -106.544306
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -16.810
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -19.137
tors. eta vs tors. theta energy: -29.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -324.275140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.275140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.275140 (E_RNA)
where:
Base-Base interactions energy: -221.035
where: short stacking energy: -97.857
Base-Backbone interact. energy: -0.225
local terms energy: -103.014584
where:
bonds (distance) C4'-P energy: -20.955
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -21.861
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -31.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -298.509774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.509774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.509774 (E_RNA)
where:
Base-Base interactions energy: -204.375
where: short stacking energy: -84.312
Base-Backbone interact. energy: 0.614
local terms energy: -94.748326
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -22.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -282.936953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.936953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.936953 (E_RNA)
where:
Base-Base interactions energy: -187.765
where: short stacking energy: -85.043
Base-Backbone interact. energy: -1.195
local terms energy: -93.976890
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -26.406
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: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -195.381828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.381828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.381828 (E_RNA)
where:
Base-Base interactions energy: -116.065
where: short stacking energy: -57.814
Base-Backbone interact. energy: -2.699
local terms energy: -76.618417
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -13.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -202.677486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.677486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.677486 (E_RNA)
where:
Base-Base interactions energy: -128.936
where: short stacking energy: -56.527
Base-Backbone interact. energy: 0.173
local terms energy: -73.914826
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -20.990
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -7.883
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: 8, replica: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -114.899335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.899335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.899335 (E_RNA)
where:
Base-Base interactions energy: -55.196
where: short stacking energy: -20.227
Base-Backbone interact. energy: -0.148
local terms energy: -59.555187
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -19.966
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: 6.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -113.903709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.903709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.903709 (E_RNA)
where:
Base-Base interactions energy: -41.938
where: short stacking energy: -27.563
Base-Backbone interact. energy: -0.569
local terms energy: -71.396054
where:
bonds (distance) C4'-P energy: -23.290
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: 1.526
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: 10, replica: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -101.456993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.456993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.456993 (E_RNA)
where:
Base-Base interactions energy: -41.235
where: short stacking energy: -18.640
Base-Backbone interact. energy: -1.235
local terms energy: -58.986387
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -10.875
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: 1, replica: 5
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -337.584102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.584102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.584102 (E_RNA)
where:
Base-Base interactions energy: -239.938
where: short stacking energy: -99.278
Base-Backbone interact. energy: -0.430
local terms energy: -97.215866
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -20.974
flat angles P-C4'-P energy: -16.499
tors. eta vs tors. theta energy: -27.815
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: 7
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -328.952643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.952643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.952643 (E_RNA)
where:
Base-Base interactions energy: -216.947
where: short stacking energy: -93.816
Base-Backbone interact. energy: -0.181
local terms energy: -111.825114
where:
bonds (distance) C4'-P energy: -22.050
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -22.184
flat angles P-C4'-P energy: -18.188
tors. eta vs tors. theta energy: -28.492
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: 2
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -321.841306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.841306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.841306 (E_RNA)
where:
Base-Base interactions energy: -217.848
where: short stacking energy: -95.512
Base-Backbone interact. energy: -0.852
local terms energy: -103.141006
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -23.561
flat angles C4'-P-C4' energy: -24.200
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -30.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -300.502001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.502001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.502001 (E_RNA)
where:
Base-Base interactions energy: -204.230
where: short stacking energy: -81.665
Base-Backbone interact. energy: -0.626
local terms energy: -95.646235
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -26.101
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: 6
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -294.044948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.044948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.044948 (E_RNA)
where:
Base-Base interactions energy: -194.428
where: short stacking energy: -84.389
Base-Backbone interact. energy: -0.104
local terms energy: -99.512821
where:
bonds (distance) C4'-P energy: -23.486
bonds (distance) P-C4' energy: -19.861
flat angles C4'-P-C4' energy: -19.340
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -25.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -210.513219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.513219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.513219 (E_RNA)
where:
Base-Base interactions energy: -126.324
where: short stacking energy: -64.896
Base-Backbone interact. energy: -0.280
local terms energy: -83.910136
where:
bonds (distance) C4'-P energy: -17.874
bonds (distance) P-C4' energy: -19.650
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -17.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -202.647203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.647203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.647203 (E_RNA)
where:
Base-Base interactions energy: -128.269
where: short stacking energy: -60.090
Base-Backbone interact. energy: -1.037
local terms energy: -73.341453
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -21.412
flat angles P-C4'-P energy: -5.598
tors. eta vs tors. theta energy: -14.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -136.815242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.815242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.815242 (E_RNA)
where:
Base-Base interactions energy: -71.743
where: short stacking energy: -35.968
Base-Backbone interact. energy: -2.015
local terms energy: -63.057088
where:
bonds (distance) C4'-P energy: -21.339
bonds (distance) P-C4' energy: -18.972
flat angles C4'-P-C4' energy: -8.472
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -0.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -106.519119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.519119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.519119 (E_RNA)
where:
Base-Base interactions energy: -43.598
where: short stacking energy: -39.664
Base-Backbone interact. energy: -0.110
local terms energy: -62.811098
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -21.597
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -1.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -89.710991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.710991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.710991 (E_RNA)
where:
Base-Base interactions energy: -28.776
where: short stacking energy: -28.776
Base-Backbone interact. energy: -0.195
local terms energy: -60.739429
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -23.533
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: 2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -330.396662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.396662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.396662 (E_RNA)
where:
Base-Base interactions energy: -226.854
where: short stacking energy: -97.477
Base-Backbone interact. energy: -0.698
local terms energy: -102.844897
where:
bonds (distance) C4'-P energy: -24.673
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -21.236
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -28.693
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: 2, replica: 7
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -324.946096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.946096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.946096 (E_RNA)
where:
Base-Base interactions energy: -221.424
where: short stacking energy: -99.318
Base-Backbone interact. energy: -0.152
local terms energy: -103.370397
where:
bonds (distance) C4'-P energy: -19.586
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -22.216
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -26.545
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: 9
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -302.625982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.625982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.625982 (E_RNA)
where:
Base-Base interactions energy: -205.526
where: short stacking energy: -81.709
Base-Backbone interact. energy: -0.187
local terms energy: -96.913042
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -20.800
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -22.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -311.349974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.349974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.349974 (E_RNA)
where:
Base-Base interactions energy: -207.093
where: short stacking energy: -93.466
Base-Backbone interact. energy: -1.589
local terms energy: -102.667924
where:
bonds (distance) C4'-P energy: -20.119
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -23.874
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -27.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -289.100501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.100501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.100501 (E_RNA)
where:
Base-Base interactions energy: -197.426
where: short stacking energy: -86.941
Base-Backbone interact. energy: -0.069
local terms energy: -91.604969
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -21.297
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -23.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -225.579692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.579692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.579692 (E_RNA)
where:
Base-Base interactions energy: -147.472
where: short stacking energy: -69.889
Base-Backbone interact. energy: -0.446
local terms energy: -77.661438
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -20.463
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -10.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -204.416550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.416550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.416550 (E_RNA)
where:
Base-Base interactions energy: -135.413
where: short stacking energy: -52.621
Base-Backbone interact. energy: -0.087
local terms energy: -68.916389
where:
bonds (distance) C4'-P energy: -20.725
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -1.954
tors. eta vs tors. theta energy: -10.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -112.436649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.436649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.436649 (E_RNA)
where:
Base-Base interactions energy: -47.346
where: short stacking energy: -41.575
Base-Backbone interact. energy: 0.340
local terms energy: -65.431142
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -23.092
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -5.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -97.274926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.274926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.274926 (E_RNA)
where:
Base-Base interactions energy: -39.092
where: short stacking energy: -39.906
Base-Backbone interact. energy: -0.312
local terms energy: -57.871344
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -7.209
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: 308
Temperature: 1.350000
Total energy: -97.063193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.063193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.063193 (E_RNA)
where:
Base-Base interactions energy: -31.729
where: short stacking energy: -31.729
Base-Backbone interact. energy: -0.993
local terms energy: -64.341125
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -326.836070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.836070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.836070 (E_RNA)
where:
Base-Base interactions energy: -224.452
where: short stacking energy: -94.429
Base-Backbone interact. energy: 0.005
local terms energy: -102.389351
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -19.660
flat angles C4'-P-C4' energy: -21.998
flat angles P-C4'-P energy: -15.758
tors. eta vs tors. theta energy: -27.486
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: 7
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -316.355636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.355636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.355636 (E_RNA)
where:
Base-Base interactions energy: -213.807
where: short stacking energy: -93.130
Base-Backbone interact. energy: -1.047
local terms energy: -101.500869
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -22.763
flat angles C4'-P-C4' energy: -19.440
flat angles P-C4'-P energy: -17.182
tors. eta vs tors. theta energy: -27.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -303.512630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.512630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.512630 (E_RNA)
where:
Base-Base interactions energy: -206.105
where: short stacking energy: -85.081
Base-Backbone interact. energy: -0.525
local terms energy: -96.882519
where:
bonds (distance) C4'-P energy: -18.973
bonds (distance) P-C4' energy: -20.118
flat angles C4'-P-C4' energy: -22.071
flat angles P-C4'-P energy: -9.883
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: 4, replica: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -314.367003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.367003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.367003 (E_RNA)
where:
Base-Base interactions energy: -213.867
where: short stacking energy: -95.608
Base-Backbone interact. energy: -0.357
local terms energy: -100.142621
where:
bonds (distance) C4'-P energy: -19.404
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -20.638
flat angles P-C4'-P energy: -16.837
tors. eta vs tors. theta energy: -27.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -281.151787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.151787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.151787 (E_RNA)
where:
Base-Base interactions energy: -184.973
where: short stacking energy: -82.225
Base-Backbone interact. energy: -0.472
local terms energy: -95.706275
where:
bonds (distance) C4'-P energy: -17.784
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -27.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -230.460194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.460194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.460194 (E_RNA)
where:
Base-Base interactions energy: -143.082
where: short stacking energy: -74.009
Base-Backbone interact. energy: -1.083
local terms energy: -86.295032
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -20.414
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: -20.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -167.643388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.643388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.643388 (E_RNA)
where:
Base-Base interactions energy: -95.298
where: short stacking energy: -50.443
Base-Backbone interact. energy: -0.273
local terms energy: -72.073062
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -4.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -112.583023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.583023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.583023 (E_RNA)
where:
Base-Base interactions energy: -54.931
where: short stacking energy: -52.295
Base-Backbone interact. energy: 0.534
local terms energy: -58.185887
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -6.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -129.858167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.858167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.858167 (E_RNA)
where:
Base-Base interactions energy: -47.349
where: short stacking energy: -46.814
Base-Backbone interact. energy: -0.369
local terms energy: -82.139998
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -13.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -102.009307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.009307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.009307 (E_RNA)
where:
Base-Base interactions energy: -40.406
where: short stacking energy: -29.033
Base-Backbone interact. energy: 0.494
local terms energy: -62.097386
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -20.240
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -3.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -332.435178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.435178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.435178 (E_RNA)
where:
Base-Base interactions energy: -224.960
where: short stacking energy: -102.662
Base-Backbone interact. energy: -0.224
local terms energy: -107.251448
where:
bonds (distance) C4'-P energy: -23.126
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -21.753
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -28.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -321.789427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.789427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.789427 (E_RNA)
where:
Base-Base interactions energy: -223.913
where: short stacking energy: -99.862
Base-Backbone interact. energy: -0.521
local terms energy: -97.354937
where:
bonds (distance) C4'-P energy: -20.541
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -23.359
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -25.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -317.885120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.885120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.885120 (E_RNA)
where:
Base-Base interactions energy: -213.223
where: short stacking energy: -89.749
Base-Backbone interact. energy: -0.706
local terms energy: -103.956161
where:
bonds (distance) C4'-P energy: -20.380
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -22.515
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -27.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -309.961144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.961144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.961144 (E_RNA)
where:
Base-Base interactions energy: -209.654
where: short stacking energy: -99.078
Base-Backbone interact. energy: -0.722
local terms energy: -99.585222
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -19.481
flat angles P-C4'-P energy: -14.945
tors. eta vs tors. theta energy: -27.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -290.081920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.081920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.081920 (E_RNA)
where:
Base-Base interactions energy: -195.507
where: short stacking energy: -82.516
Base-Backbone interact. energy: -0.732
local terms energy: -93.842772
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -22.240
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -22.948
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: 3
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -201.963465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.963465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.963465 (E_RNA)
where:
Base-Base interactions energy: -128.544
where: short stacking energy: -49.844
Base-Backbone interact. energy: -0.921
local terms energy: -72.498454
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -7.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -132.860907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.860907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.860907 (E_RNA)
where:
Base-Base interactions energy: -50.112
where: short stacking energy: -50.112
Base-Backbone interact. energy: -0.053
local terms energy: -82.695951
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -22.517
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -9.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -159.930418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.930418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.930418 (E_RNA)
where:
Base-Base interactions energy: -91.287
where: short stacking energy: -51.591
Base-Backbone interact. energy: -0.021
local terms energy: -68.622455
where:
bonds (distance) C4'-P energy: -18.702
bonds (distance) P-C4' energy: -19.377
flat angles C4'-P-C4' energy: -19.894
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -107.420223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.420223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.420223 (E_RNA)
where:
Base-Base interactions energy: -50.718
where: short stacking energy: -36.161
Base-Backbone interact. energy: -0.245
local terms energy: -56.457307
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: 0.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -111.041974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.041974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.041974 (E_RNA)
where:
Base-Base interactions energy: -42.985
where: short stacking energy: -42.985
Base-Backbone interact. energy: -0.184
local terms energy: -67.873348
where:
bonds (distance) C4'-P energy: -18.891
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -1.378
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: 1, replica: 7
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -324.190569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.190569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.190569 (E_RNA)
where:
Base-Base interactions energy: -220.181
where: short stacking energy: -93.032
Base-Backbone interact. energy: -0.768
local terms energy: -103.241542
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -19.373
flat angles C4'-P-C4' energy: -21.578
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -28.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -329.281997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.281997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.281997 (E_RNA)
where:
Base-Base interactions energy: -227.027
where: short stacking energy: -101.667
Base-Backbone interact. energy: -0.205
local terms energy: -102.049430
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -18.638
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -30.706
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: 2
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -315.719840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.719840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.719840 (E_RNA)
where:
Base-Base interactions energy: -217.396
where: short stacking energy: -92.984
Base-Backbone interact. energy: -0.457
local terms energy: -97.867618
where:
bonds (distance) C4'-P energy: -22.278
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -19.885
flat angles P-C4'-P energy: -11.131
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: 4, replica: 6
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -290.234364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.234364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.234364 (E_RNA)
where:
Base-Base interactions energy: -195.530
where: short stacking energy: -85.076
Base-Backbone interact. energy: 0.675
local terms energy: -95.379556
where:
bonds (distance) C4'-P energy: -21.243
bonds (distance) P-C4' energy: -20.764
flat angles C4'-P-C4' energy: -19.483
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -22.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -291.260582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.260582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.260582 (E_RNA)
where:
Base-Base interactions energy: -200.653
where: short stacking energy: -89.147
Base-Backbone interact. energy: -0.151
local terms energy: -90.456460
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -25.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -214.220531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.220531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.220531 (E_RNA)
where:
Base-Base interactions energy: -140.121
where: short stacking energy: -68.902
Base-Backbone interact. energy: -0.111
local terms energy: -73.988581
where:
bonds (distance) C4'-P energy: -8.562
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -15.112
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: 311
Temperature: 1.200000
Total energy: -112.384259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.384259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.384259 (E_RNA)
where:
Base-Base interactions energy: -38.122
where: short stacking energy: -35.958
Base-Backbone interact. energy: -0.079
local terms energy: -74.183894
where:
bonds (distance) C4'-P energy: -21.934
bonds (distance) P-C4' energy: -20.947
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -6.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -121.070789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.070789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.070789 (E_RNA)
where:
Base-Base interactions energy: -52.731
where: short stacking energy: -47.200
Base-Backbone interact. energy: -0.195
local terms energy: -68.144983
where:
bonds (distance) C4'-P energy: -18.749
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -19.073
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -4.638
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: 1
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -185.239242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.239242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.239242 (E_RNA)
where:
Base-Base interactions energy: -112.367
where: short stacking energy: -64.792
Base-Backbone interact. energy: 0.020
local terms energy: -72.893182
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -9.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -109.762760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.762760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.762760 (E_RNA)
where:
Base-Base interactions energy: -52.518
where: short stacking energy: -29.519
Base-Backbone interact. energy: -0.668
local terms energy: -56.576333
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: 4.028
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: 5
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -332.319694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.319694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.319694 (E_RNA)
where:
Base-Base interactions energy: -220.882
where: short stacking energy: -93.026
Base-Backbone interact. energy: 0.364
local terms energy: -111.801499
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -24.613
flat angles C4'-P-C4' energy: -23.899
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -30.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -318.349893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.349893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.349893 (E_RNA)
where:
Base-Base interactions energy: -212.058
where: short stacking energy: -87.413
Base-Backbone interact. energy: 0.318
local terms energy: -106.610434
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -23.709
flat angles C4'-P-C4' energy: -22.697
flat angles P-C4'-P energy: -17.667
tors. eta vs tors. theta energy: -25.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -312.842617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.842617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.842617 (E_RNA)
where:
Base-Base interactions energy: -215.143
where: short stacking energy: -93.477
Base-Backbone interact. energy: -0.242
local terms energy: -97.457162
where:
bonds (distance) C4'-P energy: -21.328
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -17.683
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -28.604
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: 6
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -290.115768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.115768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.115768 (E_RNA)
where:
Base-Base interactions energy: -185.312
where: short stacking energy: -82.000
Base-Backbone interact. energy: -0.116
local terms energy: -104.688510
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -20.586
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -28.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -287.799866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.799866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.799866 (E_RNA)
where:
Base-Base interactions energy: -201.009
where: short stacking energy: -74.895
Base-Backbone interact. energy: -0.641
local terms energy: -86.149460
where:
bonds (distance) C4'-P energy: -17.318
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -18.737
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -21.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -216.357237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.357237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.357237 (E_RNA)
where:
Base-Base interactions energy: -127.939
where: short stacking energy: -65.333
Base-Backbone interact. energy: -0.007
local terms energy: -88.411528
where:
bonds (distance) C4'-P energy: -21.151
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -18.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -111.026036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.026036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.026036 (E_RNA)
where:
Base-Base interactions energy: -50.543
where: short stacking energy: -33.357
Base-Backbone interact. energy: -0.515
local terms energy: -59.967721
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: 2.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -120.156541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.156541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.156541 (E_RNA)
where:
Base-Base interactions energy: -52.756
where: short stacking energy: -37.638
Base-Backbone interact. energy: -0.450
local terms energy: -66.950539
where:
bonds (distance) C4'-P energy: -17.939
bonds (distance) P-C4' energy: -21.921
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -6.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -165.198705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.198705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.198705 (E_RNA)
where:
Base-Base interactions energy: -95.592
where: short stacking energy: -47.220
Base-Backbone interact. energy: -0.023
local terms energy: -69.583628
where:
bonds (distance) C4'-P energy: -19.899
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -5.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -117.965224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.965224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.965224 (E_RNA)
where:
Base-Base interactions energy: -48.680
where: short stacking energy: -48.680
Base-Backbone interact. energy: -0.690
local terms energy: -68.594696
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -14.588
tors. eta vs tors. theta energy: -10.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -328.903909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.903909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.903909 (E_RNA)
where:
Base-Base interactions energy: -225.221
where: short stacking energy: -101.636
Base-Backbone interact. energy: -0.185
local terms energy: -103.498580
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -23.194
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -29.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -326.314435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.314435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.314435 (E_RNA)
where:
Base-Base interactions energy: -220.406
where: short stacking energy: -93.199
Base-Backbone interact. energy: 0.477
local terms energy: -106.385177
where:
bonds (distance) C4'-P energy: -25.290
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -22.364
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -28.206
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: 7
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -318.010182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.010182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.010182 (E_RNA)
where:
Base-Base interactions energy: -218.365
where: short stacking energy: -95.047
Base-Backbone interact. energy: -0.140
local terms energy: -99.505049
where:
bonds (distance) C4'-P energy: -21.426
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -17.343
tors. eta vs tors. theta energy: -22.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -312.379699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.379699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.379699 (E_RNA)
where:
Base-Base interactions energy: -213.060
where: short stacking energy: -90.994
Base-Backbone interact. energy: -0.214
local terms energy: -99.105203
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -24.660
flat angles C4'-P-C4' energy: -20.201
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -26.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -274.400329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.400329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.400329 (E_RNA)
where:
Base-Base interactions energy: -182.546
where: short stacking energy: -81.044
Base-Backbone interact. energy: -0.005
local terms energy: -91.849576
where:
bonds (distance) C4'-P energy: -19.372
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -11.787
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: 6, replica: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -214.205081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.205081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.205081 (E_RNA)
where:
Base-Base interactions energy: -136.207
where: short stacking energy: -56.235
Base-Backbone interact. energy: -0.073
local terms energy: -77.924732
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -12.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -153.719442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.719442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.719442 (E_RNA)
where:
Base-Base interactions energy: -85.707
where: short stacking energy: -35.441
Base-Backbone interact. energy: -0.096
local terms energy: -67.917176
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -21.786
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: 0.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -167.916394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.916394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.916394 (E_RNA)
where:
Base-Base interactions energy: -95.648
where: short stacking energy: -53.040
Base-Backbone interact. energy: -0.423
local terms energy: -71.845209
where:
bonds (distance) C4'-P energy: -18.669
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -7.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -115.542583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.542583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.542583 (E_RNA)
where:
Base-Base interactions energy: -51.246
where: short stacking energy: -29.616
Base-Backbone interact. energy: 0.322
local terms energy: -64.617768
where:
bonds (distance) C4'-P energy: -21.114
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -1.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -104.586242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.586242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.586242 (E_RNA)
where:
Base-Base interactions energy: -48.037
where: short stacking energy: -37.607
Base-Backbone interact. energy: 0.649
local terms energy: -57.198129
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -24.569
flat angles C4'-P-C4' energy: -7.868
flat angles P-C4'-P energy: -7.509
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: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -330.598067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.598067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.598067 (E_RNA)
where:
Base-Base interactions energy: -222.111
where: short stacking energy: -92.197
Base-Backbone interact. energy: -1.302
local terms energy: -107.184386
where:
bonds (distance) C4'-P energy: -21.763
bonds (distance) P-C4' energy: -21.044
flat angles C4'-P-C4' energy: -22.401
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -27.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -325.684137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.684137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.684137 (E_RNA)
where:
Base-Base interactions energy: -225.453
where: short stacking energy: -93.018
Base-Backbone interact. energy: 0.271
local terms energy: -100.501535
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -25.499
flat angles P-C4'-P energy: -16.908
tors. eta vs tors. theta energy: -21.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -320.729414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.729414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.729414 (E_RNA)
where:
Base-Base interactions energy: -222.495
where: short stacking energy: -97.521
Base-Backbone interact. energy: -0.141
local terms energy: -98.092727
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -22.125
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -26.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -318.822653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.822653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.822653 (E_RNA)
where:
Base-Base interactions energy: -212.910
where: short stacking energy: -91.247
Base-Backbone interact. energy: -0.164
local terms energy: -105.748267
where:
bonds (distance) C4'-P energy: -21.909
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -19.337
flat angles P-C4'-P energy: -16.694
tors. eta vs tors. theta energy: -28.658
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: 3
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -203.720494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.720494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.720494 (E_RNA)
where:
Base-Base interactions energy: -124.052
where: short stacking energy: -49.454
Base-Backbone interact. energy: -0.228
local terms energy: -79.440090
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -5.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -266.063526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.063526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.063526 (E_RNA)
where:
Base-Base interactions energy: -183.937
where: short stacking energy: -82.529
Base-Backbone interact. energy: 0.573
local terms energy: -82.699675
where:
bonds (distance) C4'-P energy: -17.574
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -18.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -165.752279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.752279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.752279 (E_RNA)
where:
Base-Base interactions energy: -97.143
where: short stacking energy: -49.151
Base-Backbone interact. energy: -0.422
local terms energy: -68.187828
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -20.310
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -18.042
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: 8, replica: 4
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -162.419988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.419988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.419988 (E_RNA)
where:
Base-Base interactions energy: -89.205
where: short stacking energy: -37.207
Base-Backbone interact. energy: 0.313
local terms energy: -73.527821
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -10.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -103.297028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.297028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.297028 (E_RNA)
where:
Base-Base interactions energy: -41.056
where: short stacking energy: -33.191
Base-Backbone interact. energy: 0.017
local terms energy: -62.257658
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -19.755
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -6.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -95.728502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.728502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.728502 (E_RNA)
where:
Base-Base interactions energy: -23.512
where: short stacking energy: -23.512
Base-Backbone interact. energy: -0.190
local terms energy: -72.027047
where:
bonds (distance) C4'-P energy: -19.483
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -24.533
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: 0.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -335.965442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.965442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.965442 (E_RNA)
where:
Base-Base interactions energy: -227.410
where: short stacking energy: -99.167
Base-Backbone interact. energy: 0.850
local terms energy: -109.406102
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -23.264
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -16.887
tors. eta vs tors. theta energy: -27.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -333.440606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.440606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.440606 (E_RNA)
where:
Base-Base interactions energy: -224.610
where: short stacking energy: -89.341
Base-Backbone interact. energy: -1.042
local terms energy: -107.789262
where:
bonds (distance) C4'-P energy: -19.711
bonds (distance) P-C4' energy: -21.454
flat angles C4'-P-C4' energy: -20.531
flat angles P-C4'-P energy: -17.022
tors. eta vs tors. theta energy: -29.071
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: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -320.040200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.040200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.040200 (E_RNA)
where:
Base-Base interactions energy: -217.511
where: short stacking energy: -96.401
Base-Backbone interact. energy: -0.748
local terms energy: -101.781247
where:
bonds (distance) C4'-P energy: -20.661
bonds (distance) P-C4' energy: -20.035
flat angles C4'-P-C4' energy: -24.358
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: -22.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -321.059018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.059018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.059018 (E_RNA)
where:
Base-Base interactions energy: -213.536
where: short stacking energy: -93.664
Base-Backbone interact. energy: -0.105
local terms energy: -107.417387
where:
bonds (distance) C4'-P energy: -21.444
bonds (distance) P-C4' energy: -22.921
flat angles C4'-P-C4' energy: -20.717
flat angles P-C4'-P energy: -16.587
tors. eta vs tors. theta energy: -25.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -213.605086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.605086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.605086 (E_RNA)
where:
Base-Base interactions energy: -120.829
where: short stacking energy: -68.729
Base-Backbone interact. energy: -0.825
local terms energy: -91.950509
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -24.552
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -21.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -265.351967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.351967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.351967 (E_RNA)
where:
Base-Base interactions energy: -178.791
where: short stacking energy: -76.224
Base-Backbone interact. energy: -0.038
local terms energy: -86.522714
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -21.618
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -19.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -180.614072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.614072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.614072 (E_RNA)
where:
Base-Base interactions energy: -105.208
where: short stacking energy: -50.972
Base-Backbone interact. energy: -0.406
local terms energy: -74.999919
where:
bonds (distance) C4'-P energy: -18.894
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -7.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -128.060163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.060163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.060163 (E_RNA)
where:
Base-Base interactions energy: -66.938
where: short stacking energy: -32.324
Base-Backbone interact. energy: -0.795
local terms energy: -60.327161
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -154.778629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.778629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.778629 (E_RNA)
where:
Base-Base interactions energy: -90.707
where: short stacking energy: -35.116
Base-Backbone interact. energy: -1.439
local terms energy: -62.632879
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: 0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -112.519897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.519897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.519897 (E_RNA)
where:
Base-Base interactions energy: -44.193
where: short stacking energy: -44.193
Base-Backbone interact. energy: -0.375
local terms energy: -67.952505
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -20.368
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -6.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -322.569150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.569150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.569150 (E_RNA)
where:
Base-Base interactions energy: -222.306
where: short stacking energy: -92.502
Base-Backbone interact. energy: -0.166
local terms energy: -100.096785
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -23.850
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -24.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -326.645714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.645714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.645714 (E_RNA)
where:
Base-Base interactions energy: -222.386
where: short stacking energy: -102.602
Base-Backbone interact. energy: -0.187
local terms energy: -104.072965
where:
bonds (distance) C4'-P energy: -20.969
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -21.982
flat angles P-C4'-P energy: -15.520
tors. eta vs tors. theta energy: -26.651
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: 9
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -323.031052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.031052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.031052 (E_RNA)
where:
Base-Base interactions energy: -229.577
where: short stacking energy: -89.213
Base-Backbone interact. energy: -0.124
local terms energy: -93.330165
where:
bonds (distance) C4'-P energy: -19.859
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -26.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -316.341652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.341652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.341652 (E_RNA)
where:
Base-Base interactions energy: -219.625
where: short stacking energy: -103.200
Base-Backbone interact. energy: -0.002
local terms energy: -96.714871
where:
bonds (distance) C4'-P energy: -18.784
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -27.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -292.331998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.331998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.331998 (E_RNA)
where:
Base-Base interactions energy: -203.567
where: short stacking energy: -80.283
Base-Backbone interact. energy: 0.130
local terms energy: -88.894963
where:
bonds (distance) C4'-P energy: -19.590
bonds (distance) P-C4' energy: -19.501
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -203.195904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.195904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.195904 (E_RNA)
where:
Base-Base interactions energy: -118.731
where: short stacking energy: -65.877
Base-Backbone interact. energy: -0.007
local terms energy: -84.458265
where:
bonds (distance) C4'-P energy: -20.305
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -12.845
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: 7, replica: 1
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -197.895360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.895360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.895360 (E_RNA)
where:
Base-Base interactions energy: -127.979
where: short stacking energy: -52.935
Base-Backbone interact. energy: -0.897
local terms energy: -69.019245
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -17.326
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -15.893
tors. eta vs tors. theta energy: -7.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -132.378263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.378263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.378263 (E_RNA)
where:
Base-Base interactions energy: -59.110
where: short stacking energy: -38.610
Base-Backbone interact. energy: -1.841
local terms energy: -71.426597
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -20.447
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -16.013
tors. eta vs tors. theta energy: -4.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -162.890324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.890324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.890324 (E_RNA)
where:
Base-Base interactions energy: -98.518
where: short stacking energy: -51.315
Base-Backbone interact. energy: -0.423
local terms energy: -63.949073
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -10.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -102.329781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.329781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.329781 (E_RNA)
where:
Base-Base interactions energy: -42.834
where: short stacking energy: -39.123
Base-Backbone interact. energy: -0.108
local terms energy: -59.387515
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -7.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -333.269007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.269007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.269007 (E_RNA)
where:
Base-Base interactions energy: -225.954
where: short stacking energy: -95.445
Base-Backbone interact. energy: -0.097
local terms energy: -107.217409
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -17.943
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: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -331.522633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.522633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.522633 (E_RNA)
where:
Base-Base interactions energy: -231.270
where: short stacking energy: -102.499
Base-Backbone interact. energy: 0.095
local terms energy: -100.346951
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -21.459
flat angles P-C4'-P energy: -13.883
tors. eta vs tors. theta energy: -28.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -318.048762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.048762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.048762 (E_RNA)
where:
Base-Base interactions energy: -213.662
where: short stacking energy: -93.904
Base-Backbone interact. energy: -0.080
local terms energy: -104.306923
where:
bonds (distance) C4'-P energy: -19.902
bonds (distance) P-C4' energy: -21.981
flat angles C4'-P-C4' energy: -20.266
flat angles P-C4'-P energy: -15.969
tors. eta vs tors. theta energy: -26.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -305.071489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.071489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.071489 (E_RNA)
where:
Base-Base interactions energy: -212.725
where: short stacking energy: -86.513
Base-Backbone interact. energy: 0.060
local terms energy: -92.405652
where:
bonds (distance) C4'-P energy: -20.526
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -24.543
flat angles P-C4'-P energy: -9.292
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: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -315.371650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.371650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.371650 (E_RNA)
where:
Base-Base interactions energy: -215.462
where: short stacking energy: -95.645
Base-Backbone interact. energy: -0.103
local terms energy: -99.806648
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -19.831
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -31.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -202.455754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.455754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.455754 (E_RNA)
where:
Base-Base interactions energy: -117.624
where: short stacking energy: -54.851
Base-Backbone interact. energy: -0.351
local terms energy: -84.480887
where:
bonds (distance) C4'-P energy: -19.600
bonds (distance) P-C4' energy: -20.061
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -9.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -190.511770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.511770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.511770 (E_RNA)
where:
Base-Base interactions energy: -106.533
where: short stacking energy: -66.190
Base-Backbone interact. energy: -0.034
local terms energy: -83.945498
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -23.358
flat angles P-C4'-P energy: -14.275
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: 8, replica: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -176.115728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.115728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.115728 (E_RNA)
where:
Base-Base interactions energy: -99.839
where: short stacking energy: -58.012
Base-Backbone interact. energy: -0.210
local terms energy: -76.066787
where:
bonds (distance) C4'-P energy: -19.337
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -19.171
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -10.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -106.578180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.578180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.578180 (E_RNA)
where:
Base-Base interactions energy: -43.997
where: short stacking energy: -25.604
Base-Backbone interact. energy: 3.599
local terms energy: -66.180219
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -4.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -106.877879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.877879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.877879 (E_RNA)
where:
Base-Base interactions energy: -40.623
where: short stacking energy: -35.502
Base-Backbone interact. energy: -0.393
local terms energy: -65.861222
where:
bonds (distance) C4'-P energy: -22.798
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -19.019
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -2.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -329.942499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.942499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.942499 (E_RNA)
where:
Base-Base interactions energy: -225.616
where: short stacking energy: -100.915
Base-Backbone interact. energy: -0.086
local terms energy: -104.240176
where:
bonds (distance) C4'-P energy: -23.042
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -21.115
flat angles P-C4'-P energy: -14.997
tors. eta vs tors. theta energy: -27.713
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: 318
Temperature: 0.950000
Total energy: -315.590611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.590611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.590611 (E_RNA)
where:
Base-Base interactions energy: -218.848
where: short stacking energy: -94.339
Base-Backbone interact. energy: -0.129
local terms energy: -96.613759
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -20.305
flat angles P-C4'-P energy: -17.055
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: 3, replica: 6
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -310.665850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.665850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.665850 (E_RNA)
where:
Base-Base interactions energy: -218.916
where: short stacking energy: -85.436
Base-Backbone interact. energy: -1.002
local terms energy: -90.747192
where:
bonds (distance) C4'-P energy: -22.290
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -21.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -308.642308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.642308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.642308 (E_RNA)
where:
Base-Base interactions energy: -206.503
where: short stacking energy: -82.138
Base-Backbone interact. energy: -0.132
local terms energy: -102.006978
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -22.624
flat angles C4'-P-C4' energy: -23.425
flat angles P-C4'-P energy: -16.637
tors. eta vs tors. theta energy: -22.561
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: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -300.906625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.906625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.906625 (E_RNA)
where:
Base-Base interactions energy: -214.888
where: short stacking energy: -77.495
Base-Backbone interact. energy: -0.374
local terms energy: -85.644349
where:
bonds (distance) C4'-P energy: -21.185
bonds (distance) P-C4' energy: -11.677
flat angles C4'-P-C4' energy: -19.557
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -23.883
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: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -202.339198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.339198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.339198 (E_RNA)
where:
Base-Base interactions energy: -121.912
where: short stacking energy: -68.455
Base-Backbone interact. energy: -0.412
local terms energy: -80.015223
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -21.083
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -14.956
tors. eta vs tors. theta energy: -12.056
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: 3
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -203.858756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.858756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.858756 (E_RNA)
where:
Base-Base interactions energy: -129.612
where: short stacking energy: -67.842
Base-Backbone interact. energy: -0.102
local terms energy: -74.144751
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -17.788
flat angles C4'-P-C4' energy: -19.567
flat angles P-C4'-P energy: -5.560
tors. eta vs tors. theta energy: -13.386
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: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -187.851432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.851432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.851432 (E_RNA)
where:
Base-Base interactions energy: -123.666
where: short stacking energy: -52.448
Base-Backbone interact. energy: -0.279
local terms energy: -63.906172
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -6.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -103.289686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.289686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.289686 (E_RNA)
where:
Base-Base interactions energy: -32.260
where: short stacking energy: -27.338
Base-Backbone interact. energy: -0.222
local terms energy: -70.807000
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -17.038
tors. eta vs tors. theta energy: 2.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -123.973038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.973038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.973038 (E_RNA)
where:
Base-Base interactions energy: -60.206
where: short stacking energy: -31.996
Base-Backbone interact. energy: -1.590
local terms energy: -62.176635
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -7.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -323.493304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.493304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.493304 (E_RNA)
where:
Base-Base interactions energy: -217.867
where: short stacking energy: -100.700
Base-Backbone interact. energy: -0.354
local terms energy: -105.272194
where:
bonds (distance) C4'-P energy: -22.828
bonds (distance) P-C4' energy: -18.757
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -16.659
tors. eta vs tors. theta energy: -29.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -307.846827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.846827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.846827 (E_RNA)
where:
Base-Base interactions energy: -218.136
where: short stacking energy: -86.901
Base-Backbone interact. energy: -0.209
local terms energy: -89.502129
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -20.801
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: 3, replica: 7
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -317.551726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.551726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.551726 (E_RNA)
where:
Base-Base interactions energy: -222.322
where: short stacking energy: -100.640
Base-Backbone interact. energy: -0.097
local terms energy: -95.132232
where:
bonds (distance) C4'-P energy: -19.061
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -26.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -320.565133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.565133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.565133 (E_RNA)
where:
Base-Base interactions energy: -222.868
where: short stacking energy: -99.298
Base-Backbone interact. energy: 0.732
local terms energy: -98.429128
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -20.383
flat angles P-C4'-P energy: -18.772
tors. eta vs tors. theta energy: -23.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -300.976185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.976185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.976185 (E_RNA)
where:
Base-Base interactions energy: -203.470
where: short stacking energy: -83.774
Base-Backbone interact. energy: -0.551
local terms energy: -96.955019
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -24.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -212.684070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.684070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.684070 (E_RNA)
where:
Base-Base interactions energy: -131.935
where: short stacking energy: -71.407
Base-Backbone interact. energy: -1.043
local terms energy: -79.705739
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -16.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -192.372469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.372469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.372469 (E_RNA)
where:
Base-Base interactions energy: -112.253
where: short stacking energy: -53.312
Base-Backbone interact. energy: -0.075
local terms energy: -80.045032
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -22.435
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -13.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -194.582880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.582880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.582880 (E_RNA)
where:
Base-Base interactions energy: -118.517
where: short stacking energy: -51.935
Base-Backbone interact. energy: -0.395
local terms energy: -75.670466
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -20.579
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -9.991
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: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -110.323699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.323699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.323699 (E_RNA)
where:
Base-Base interactions energy: -37.334
where: short stacking energy: -27.257
Base-Backbone interact. energy: -0.174
local terms energy: -72.815647
where:
bonds (distance) C4'-P energy: -20.974
bonds (distance) P-C4' energy: -21.262
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -3.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -99.959603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.959603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.959603 (E_RNA)
where:
Base-Base interactions energy: -36.930
where: short stacking energy: -31.288
Base-Backbone interact. energy: -0.128
local terms energy: -62.900817
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -2.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -329.195704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.195704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.195704 (E_RNA)
where:
Base-Base interactions energy: -224.005
where: short stacking energy: -99.971
Base-Backbone interact. energy: -0.317
local terms energy: -104.873421
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -22.259
flat angles C4'-P-C4' energy: -22.001
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -29.477
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: 320
Temperature: 0.950000
Total energy: -312.119383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.119383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.119383 (E_RNA)
where:
Base-Base interactions energy: -231.479
where: short stacking energy: -90.113
Base-Backbone interact. energy: -0.179
local terms energy: -80.461315
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -16.112
flat angles C4'-P-C4' energy: -19.422
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -22.126
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: 320
Temperature: 1.000000
Total energy: -317.045967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.045967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.045967 (E_RNA)
where:
Base-Base interactions energy: -212.073
where: short stacking energy: -88.924
Base-Backbone interact. energy: -0.213
local terms energy: -104.759345
where:
bonds (distance) C4'-P energy: -19.227
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -23.073
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -26.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -311.574445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.574445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.574445 (E_RNA)
where:
Base-Base interactions energy: -206.566
where: short stacking energy: -88.037
Base-Backbone interact. energy: 0.386
local terms energy: -105.394801
where:
bonds (distance) C4'-P energy: -22.131
bonds (distance) P-C4' energy: -21.149
flat angles C4'-P-C4' energy: -21.643
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -24.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -314.842242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.842242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.842242 (E_RNA)
where:
Base-Base interactions energy: -217.725
where: short stacking energy: -85.908
Base-Backbone interact. energy: -0.051
local terms energy: -97.066546
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -24.214
flat angles C4'-P-C4' energy: -22.135
flat angles P-C4'-P energy: -12.294
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: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -224.861939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.861939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.861939 (E_RNA)
where:
Base-Base interactions energy: -145.315
where: short stacking energy: -66.885
Base-Backbone interact. energy: 0.364
local terms energy: -79.911242
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -13.853
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: 7, replica: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -193.165667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.165667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.165667 (E_RNA)
where:
Base-Base interactions energy: -107.735
where: short stacking energy: -60.826
Base-Backbone interact. energy: -0.117
local terms energy: -85.313762
where:
bonds (distance) C4'-P energy: -20.965
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -13.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -182.793968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.793968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.793968 (E_RNA)
where:
Base-Base interactions energy: -110.842
where: short stacking energy: -56.832
Base-Backbone interact. energy: -0.340
local terms energy: -71.612240
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -19.557
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -12.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -163.491884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.491884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.491884 (E_RNA)
where:
Base-Base interactions energy: -88.312
where: short stacking energy: -50.211
Base-Backbone interact. energy: -0.568
local terms energy: -74.611225
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -12.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -102.012988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.012988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.012988 (E_RNA)
where:
Base-Base interactions energy: -57.084
where: short stacking energy: -35.676
Base-Backbone interact. energy: 0.413
local terms energy: -45.341676
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -17.504
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: 3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -332.597357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.597357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.597357 (E_RNA)
where:
Base-Base interactions energy: -226.513
where: short stacking energy: -103.395
Base-Backbone interact. energy: -0.217
local terms energy: -105.867012
where:
bonds (distance) C4'-P energy: -22.092
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -24.886
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -29.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -334.309893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.309893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.309893 (E_RNA)
where:
Base-Base interactions energy: -229.331
where: short stacking energy: -103.410
Base-Backbone interact. energy: -0.414
local terms energy: -104.565082
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -23.017
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -28.652
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: 6
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -303.062585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.062585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.062585 (E_RNA)
where:
Base-Base interactions energy: -207.581
where: short stacking energy: -75.594
Base-Backbone interact. energy: -0.338
local terms energy: -95.142910
where:
bonds (distance) C4'-P energy: -20.422
bonds (distance) P-C4' energy: -20.917
flat angles C4'-P-C4' energy: -22.225
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -16.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -316.914675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.914675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.914675 (E_RNA)
where:
Base-Base interactions energy: -218.740
where: short stacking energy: -94.073
Base-Backbone interact. energy: -0.094
local terms energy: -98.079774
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -20.102
flat angles P-C4'-P energy: -16.807
tors. eta vs tors. theta energy: -25.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -304.219381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.219381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.219381 (E_RNA)
where:
Base-Base interactions energy: -215.982
where: short stacking energy: -90.139
Base-Backbone interact. energy: -0.809
local terms energy: -87.428769
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -25.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -213.597483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.597483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.597483 (E_RNA)
where:
Base-Base interactions energy: -128.543
where: short stacking energy: -65.235
Base-Backbone interact. energy: -0.889
local terms energy: -84.165753
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -20.694
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -13.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -200.789138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.789138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.789138 (E_RNA)
where:
Base-Base interactions energy: -118.262
where: short stacking energy: -60.133
Base-Backbone interact. energy: -0.552
local terms energy: -81.975868
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -19.193
flat angles P-C4'-P energy: -16.557
tors. eta vs tors. theta energy: -8.940
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: 8, replica: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -179.009942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.009942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.009942 (E_RNA)
where:
Base-Base interactions energy: -103.304
where: short stacking energy: -52.624
Base-Backbone interact. energy: 1.471
local terms energy: -77.176398
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -19.077
flat angles C4'-P-C4' energy: -22.022
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -7.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -172.887364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.887364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.887364 (E_RNA)
where:
Base-Base interactions energy: -94.473
where: short stacking energy: -46.428
Base-Backbone interact. energy: -0.896
local terms energy: -77.518982
where:
bonds (distance) C4'-P energy: -19.628
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -9.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -95.645819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.645819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.645819 (E_RNA)
where:
Base-Base interactions energy: -28.896
where: short stacking energy: -28.896
Base-Backbone interact. energy: -1.210
local terms energy: -65.539366
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -21.168
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -10.037
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: 1, replica: 5
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -322.994285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.994285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.994285 (E_RNA)
where:
Base-Base interactions energy: -219.947
where: short stacking energy: -89.141
Base-Backbone interact. energy: -1.052
local terms energy: -101.995398
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -23.447
flat angles C4'-P-C4' energy: -22.622
flat angles P-C4'-P energy: -15.860
tors. eta vs tors. theta energy: -22.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -332.072834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.072834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.072834 (E_RNA)
where:
Base-Base interactions energy: -223.235
where: short stacking energy: -98.746
Base-Backbone interact. energy: -0.083
local terms energy: -108.755740
where:
bonds (distance) C4'-P energy: -24.811
bonds (distance) P-C4' energy: -21.995
flat angles C4'-P-C4' energy: -20.308
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -29.071
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: 6
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -293.964794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.964794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.964794 (E_RNA)
where:
Base-Base interactions energy: -195.286
where: short stacking energy: -85.641
Base-Backbone interact. energy: -0.198
local terms energy: -98.481358
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -22.024
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -22.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -317.895039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.895039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.895039 (E_RNA)
where:
Base-Base interactions energy: -215.846
where: short stacking energy: -95.012
Base-Backbone interact. energy: -0.812
local terms energy: -101.237369
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -22.243
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -29.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -305.814507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.814507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.814507 (E_RNA)
where:
Base-Base interactions energy: -214.820
where: short stacking energy: -90.358
Base-Backbone interact. energy: -0.116
local terms energy: -90.878411
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -21.873
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -24.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -215.558525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.558525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.558525 (E_RNA)
where:
Base-Base interactions energy: -133.686
where: short stacking energy: -65.488
Base-Backbone interact. energy: -0.448
local terms energy: -81.424726
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -19.029
flat angles C4'-P-C4' energy: -19.736
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -12.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -189.409115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.409115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.409115 (E_RNA)
where:
Base-Base interactions energy: -107.480
where: short stacking energy: -53.192
Base-Backbone interact. energy: 0.151
local terms energy: -82.079995
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -24.221
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -15.483
tors. eta vs tors. theta energy: -9.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -188.907287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.907287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.907287 (E_RNA)
where:
Base-Base interactions energy: -117.775
where: short stacking energy: -56.475
Base-Backbone interact. energy: -0.158
local terms energy: -70.974412
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -11.056
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: 9, replica: 8
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -108.446357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.446357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.446357 (E_RNA)
where:
Base-Base interactions energy: -48.793
where: short stacking energy: -34.747
Base-Backbone interact. energy: 0.104
local terms energy: -59.758092
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -12.034
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: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -106.001966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.001966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.001966 (E_RNA)
where:
Base-Base interactions energy: -38.335
where: short stacking energy: -38.170
Base-Backbone interact. energy: -0.903
local terms energy: -66.764285
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -21.813
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -1.645
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: 5
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -327.445519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.445519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.445519 (E_RNA)
where:
Base-Base interactions energy: -223.998
where: short stacking energy: -96.789
Base-Backbone interact. energy: -0.101
local terms energy: -103.345807
where:
bonds (distance) C4'-P energy: -21.848
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -22.940
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -26.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -328.598971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.598971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.598971 (E_RNA)
where:
Base-Base interactions energy: -227.153
where: short stacking energy: -99.896
Base-Backbone interact. energy: -0.883
local terms energy: -100.562182
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -16.422
tors. eta vs tors. theta energy: -28.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -293.017575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.017575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.017575 (E_RNA)
where:
Base-Base interactions energy: -198.229
where: short stacking energy: -86.713
Base-Backbone interact. energy: -0.012
local terms energy: -94.776853
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -20.572
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -25.765
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: 7
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -317.351900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.351900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.351900 (E_RNA)
where:
Base-Base interactions energy: -213.433
where: short stacking energy: -82.509
Base-Backbone interact. energy: -0.230
local terms energy: -103.689112
where:
bonds (distance) C4'-P energy: -22.467
bonds (distance) P-C4' energy: -21.596
flat angles C4'-P-C4' energy: -19.809
flat angles P-C4'-P energy: -15.462
tors. eta vs tors. theta energy: -24.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -302.246376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.246376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.246376 (E_RNA)
where:
Base-Base interactions energy: -214.739
where: short stacking energy: -95.645
Base-Backbone interact. energy: -0.127
local terms energy: -87.380826
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -13.428
flat angles C4'-P-C4' energy: -20.045
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -25.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -211.644753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.644753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.644753 (E_RNA)
where:
Base-Base interactions energy: -124.123
where: short stacking energy: -64.711
Base-Backbone interact. energy: -0.377
local terms energy: -87.144997
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -22.690
flat angles C4'-P-C4' energy: -20.380
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -13.001
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: 1
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -186.365745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.365745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.365745 (E_RNA)
where:
Base-Base interactions energy: -107.004
where: short stacking energy: -72.417
Base-Backbone interact. energy: -0.107
local terms energy: -79.254658
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -20.309
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -14.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -191.587420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.587420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.587420 (E_RNA)
where:
Base-Base interactions energy: -125.648
where: short stacking energy: -60.746
Base-Backbone interact. energy: -0.357
local terms energy: -65.582772
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -11.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -118.557705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.557705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.557705 (E_RNA)
where:
Base-Base interactions energy: -51.950
where: short stacking energy: -51.587
Base-Backbone interact. energy: -0.342
local terms energy: -66.265629
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -3.753
tors. eta vs tors. theta energy: -10.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -91.719215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.719215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.719215 (E_RNA)
where:
Base-Base interactions energy: -27.072
where: short stacking energy: -24.951
Base-Backbone interact. energy: -0.031
local terms energy: -64.616400
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -2.385
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: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -326.460796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.460796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.460796 (E_RNA)
where:
Base-Base interactions energy: -225.303
where: short stacking energy: -99.427
Base-Backbone interact. energy: -0.562
local terms energy: -100.596134
where:
bonds (distance) C4'-P energy: -20.803
bonds (distance) P-C4' energy: -20.533
flat angles C4'-P-C4' energy: -18.682
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -27.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -320.520978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.520978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.520978 (E_RNA)
where:
Base-Base interactions energy: -227.374
where: short stacking energy: -90.451
Base-Backbone interact. energy: -0.258
local terms energy: -92.888718
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -22.846
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -21.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -308.098572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.098572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.098572 (E_RNA)
where:
Base-Base interactions energy: -213.166
where: short stacking energy: -86.353
Base-Backbone interact. energy: -0.187
local terms energy: -94.745563
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -21.996
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -17.131
tors. eta vs tors. theta energy: -24.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -286.338011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.338011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.338011 (E_RNA)
where:
Base-Base interactions energy: -195.551
where: short stacking energy: -81.399
Base-Backbone interact. energy: -0.132
local terms energy: -90.655526
where:
bonds (distance) C4'-P energy: -20.059
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -19.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -305.862662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.862662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.862662 (E_RNA)
where:
Base-Base interactions energy: -211.131
where: short stacking energy: -91.832
Base-Backbone interact. energy: -0.680
local terms energy: -94.052094
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -20.837
flat angles P-C4'-P energy: -13.980
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: 6, replica: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -218.215866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.215866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.215866 (E_RNA)
where:
Base-Base interactions energy: -141.568
where: short stacking energy: -69.114
Base-Backbone interact. energy: 1.340
local terms energy: -77.987278
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -18.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -161.282766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.282766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.282766 (E_RNA)
where:
Base-Base interactions energy: -88.768
where: short stacking energy: -49.352
Base-Backbone interact. energy: 2.200
local terms energy: -74.714868
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -8.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -173.741434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.741434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.741434 (E_RNA)
where:
Base-Base interactions energy: -101.974
where: short stacking energy: -51.252
Base-Backbone interact. energy: 0.770
local terms energy: -72.537916
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -15.505
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: 9, replica: 10
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -122.793232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.793232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.793232 (E_RNA)
where:
Base-Base interactions energy: -55.903
where: short stacking energy: -36.563
Base-Backbone interact. energy: -0.546
local terms energy: -66.344707
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -20.043
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -5.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -111.908741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.908741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.908741 (E_RNA)
where:
Base-Base interactions energy: -49.762
where: short stacking energy: -30.344
Base-Backbone interact. energy: 0.872
local terms energy: -63.018875
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -7.251
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: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -326.956868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.956868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.956868 (E_RNA)
where:
Base-Base interactions energy: -219.015
where: short stacking energy: -94.474
Base-Backbone interact. energy: -1.072
local terms energy: -106.870038
where:
bonds (distance) C4'-P energy: -22.145
bonds (distance) P-C4' energy: -20.929
flat angles C4'-P-C4' energy: -21.594
flat angles P-C4'-P energy: -14.737
tors. eta vs tors. theta energy: -27.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -331.135898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.135898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.135898 (E_RNA)
where:
Base-Base interactions energy: -225.977
where: short stacking energy: -90.393
Base-Backbone interact. energy: -0.108
local terms energy: -105.051852
where:
bonds (distance) C4'-P energy: -22.737
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -25.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -320.493678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.493678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.493678 (E_RNA)
where:
Base-Base interactions energy: -221.845
where: short stacking energy: -96.778
Base-Backbone interact. energy: -0.118
local terms energy: -98.530701
where:
bonds (distance) C4'-P energy: -19.302
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -24.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -296.759355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.759355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.759355 (E_RNA)
where:
Base-Base interactions energy: -195.963
where: short stacking energy: -88.113
Base-Backbone interact. energy: -0.146
local terms energy: -100.650426
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -23.451
flat angles P-C4'-P energy: -14.864
tors. eta vs tors. theta energy: -25.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -281.361097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.361097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.361097 (E_RNA)
where:
Base-Base interactions energy: -184.932
where: short stacking energy: -78.825
Base-Backbone interact. energy: 1.884
local terms energy: -98.313092
where:
bonds (distance) C4'-P energy: -20.385
bonds (distance) P-C4' energy: -20.136
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -16.124
tors. eta vs tors. theta energy: -25.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -199.617062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.617062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.617062 (E_RNA)
where:
Base-Base interactions energy: -122.719
where: short stacking energy: -66.307
Base-Backbone interact. energy: -0.332
local terms energy: -76.566237
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -19.880
flat angles C4'-P-C4' energy: -19.256
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -14.767
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: 325
Temperature: 1.200000
Total energy: -210.592524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.592524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.592524 (E_RNA)
where:
Base-Base interactions energy: -139.740
where: short stacking energy: -57.788
Base-Backbone interact. energy: 0.166
local terms energy: -71.018283
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -11.780
flat angles C4'-P-C4' energy: -22.262
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -12.436
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: 1
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -195.312490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.312490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.312490 (E_RNA)
where:
Base-Base interactions energy: -116.788
where: short stacking energy: -52.092
Base-Backbone interact. energy: -0.141
local terms energy: -78.383501
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -22.060
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -11.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -112.761520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.761520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.761520 (E_RNA)
where:
Base-Base interactions energy: -48.293
where: short stacking energy: -28.085
Base-Backbone interact. energy: 0.065
local terms energy: -64.534113
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: 0.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -107.898665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.898665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.898665 (E_RNA)
where:
Base-Base interactions energy: -36.834
where: short stacking energy: -23.643
Base-Backbone interact. energy: -0.410
local terms energy: -70.654386
where:
bonds (distance) C4'-P energy: -19.227
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -23.269
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -1.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -336.268585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.268585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.268585 (E_RNA)
where:
Base-Base interactions energy: -235.187
where: short stacking energy: -105.896
Base-Backbone interact. energy: -0.624
local terms energy: -100.457359
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -29.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -324.013030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.013030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.013030 (E_RNA)
where:
Base-Base interactions energy: -222.043
where: short stacking energy: -95.201
Base-Backbone interact. energy: -0.220
local terms energy: -101.750507
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -22.894
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -15.426
tors. eta vs tors. theta energy: -21.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -306.112941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.112941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.112941 (E_RNA)
where:
Base-Base interactions energy: -204.165
where: short stacking energy: -86.870
Base-Backbone interact. energy: -0.286
local terms energy: -101.662073
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -23.466
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -16.550
tors. eta vs tors. theta energy: -23.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -309.613042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.613042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.613042 (E_RNA)
where:
Base-Base interactions energy: -210.122
where: short stacking energy: -88.675
Base-Backbone interact. energy: -0.733
local terms energy: -98.757759
where:
bonds (distance) C4'-P energy: -17.659
bonds (distance) P-C4' energy: -21.355
flat angles C4'-P-C4' energy: -22.051
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -24.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -280.799007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.799007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.799007 (E_RNA)
where:
Base-Base interactions energy: -188.482
where: short stacking energy: -84.963
Base-Backbone interact. energy: -0.509
local terms energy: -91.807426
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -14.801
tors. eta vs tors. theta energy: -18.299
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: 6, replica: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -186.617416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.617416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.617416 (E_RNA)
where:
Base-Base interactions energy: -104.433
where: short stacking energy: -58.043
Base-Backbone interact. energy: -0.499
local terms energy: -81.685072
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -22.450
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -13.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -195.945424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.945424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.945424 (E_RNA)
where:
Base-Base interactions energy: -118.058
where: short stacking energy: -54.837
Base-Backbone interact. energy: -0.252
local terms energy: -77.635726
where:
bonds (distance) C4'-P energy: -21.283
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -19.798
flat angles P-C4'-P energy: -15.971
tors. eta vs tors. theta energy: -6.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -207.123388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.123388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.123388 (E_RNA)
where:
Base-Base interactions energy: -125.911
where: short stacking energy: -56.826
Base-Backbone interact. energy: -0.019
local terms energy: -81.193864
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -19.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -104.562693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.562693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.562693 (E_RNA)
where:
Base-Base interactions energy: -48.411
where: short stacking energy: -18.458
Base-Backbone interact. energy: 0.024
local terms energy: -56.175369
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -6.322
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: 10, replica: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -102.229875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.229875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.229875 (E_RNA)
where:
Base-Base interactions energy: -43.980
where: short stacking energy: -34.652
Base-Backbone interact. energy: -0.172
local terms energy: -58.077833
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -1.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -330.901120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.901120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.901120 (E_RNA)
where:
Base-Base interactions energy: -218.651
where: short stacking energy: -90.539
Base-Backbone interact. energy: -0.116
local terms energy: -112.134156
where:
bonds (distance) C4'-P energy: -21.930
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -24.869
flat angles P-C4'-P energy: -17.793
tors. eta vs tors. theta energy: -27.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -322.194201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.194201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.194201 (E_RNA)
where:
Base-Base interactions energy: -216.705
where: short stacking energy: -93.701
Base-Backbone interact. energy: -0.986
local terms energy: -104.502833
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -25.037
flat angles P-C4'-P energy: -16.804
tors. eta vs tors. theta energy: -23.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -320.849853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.849853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.849853 (E_RNA)
where:
Base-Base interactions energy: -212.684
where: short stacking energy: -92.740
Base-Backbone interact. energy: -0.193
local terms energy: -107.972610
where:
bonds (distance) C4'-P energy: -21.268
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -22.429
flat angles P-C4'-P energy: -18.173
tors. eta vs tors. theta energy: -25.232
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: 4, replica: 6
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -280.305223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.305223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.305223 (E_RNA)
where:
Base-Base interactions energy: -188.951
where: short stacking energy: -76.243
Base-Backbone interact. energy: -0.174
local terms energy: -91.179292
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -20.047
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: -22.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -305.509003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.509003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.509003 (E_RNA)
where:
Base-Base interactions energy: -205.626
where: short stacking energy: -93.343
Base-Backbone interact. energy: -0.102
local terms energy: -99.781183
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -21.579
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -26.612
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: 1
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -175.559398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.559398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.559398 (E_RNA)
where:
Base-Base interactions energy: -106.408
where: short stacking energy: -50.796
Base-Backbone interact. energy: -0.580
local terms energy: -68.572046
where:
bonds (distance) C4'-P energy: -18.092
bonds (distance) P-C4' energy: -20.295
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -7.987
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: 7, replica: 4
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -163.542745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.542745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.542745 (E_RNA)
where:
Base-Base interactions energy: -92.376
where: short stacking energy: -53.092
Base-Backbone interact. energy: 0.374
local terms energy: -71.540361
where:
bonds (distance) C4'-P energy: -17.696
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -9.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -197.298484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.298484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.298484 (E_RNA)
where:
Base-Base interactions energy: -126.732
where: short stacking energy: -55.764
Base-Backbone interact. energy: 5.180
local terms energy: -75.745729
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -13.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -112.088909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.088909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.088909 (E_RNA)
where:
Base-Base interactions energy: -50.628
where: short stacking energy: -49.523
Base-Backbone interact. energy: -0.038
local terms energy: -61.423021
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: -7.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -103.098375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.098375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.098375 (E_RNA)
where:
Base-Base interactions energy: -30.514
where: short stacking energy: -30.143
Base-Backbone interact. energy: -0.210
local terms energy: -72.374504
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -7.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -331.149782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.149782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.149782 (E_RNA)
where:
Base-Base interactions energy: -220.901
where: short stacking energy: -98.313
Base-Backbone interact. energy: 0.133
local terms energy: -110.381816
where:
bonds (distance) C4'-P energy: -21.665
bonds (distance) P-C4' energy: -23.346
flat angles C4'-P-C4' energy: -21.778
flat angles P-C4'-P energy: -15.032
tors. eta vs tors. theta energy: -28.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -329.601590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.601590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.601590 (E_RNA)
where:
Base-Base interactions energy: -233.236
where: short stacking energy: -99.347
Base-Backbone interact. energy: -0.079
local terms energy: -96.286084
where:
bonds (distance) C4'-P energy: -20.442
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -22.898
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -22.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -320.757351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.757351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.757351 (E_RNA)
where:
Base-Base interactions energy: -219.552
where: short stacking energy: -90.587
Base-Backbone interact. energy: -0.813
local terms energy: -100.392758
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -20.043
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -27.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -292.952127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.952127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.952127 (E_RNA)
where:
Base-Base interactions energy: -198.174
where: short stacking energy: -85.695
Base-Backbone interact. energy: -0.175
local terms energy: -94.603417
where:
bonds (distance) C4'-P energy: -23.375
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -23.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -285.463157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.463157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.463157 (E_RNA)
where:
Base-Base interactions energy: -191.097
where: short stacking energy: -90.663
Base-Backbone interact. energy: -0.196
local terms energy: -94.170388
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -22.183
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -24.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -192.247136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.247136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.247136 (E_RNA)
where:
Base-Base interactions energy: -116.221
where: short stacking energy: -56.075
Base-Backbone interact. energy: -0.942
local terms energy: -75.084042
where:
bonds (distance) C4'-P energy: -21.052
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -7.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -209.790815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.790815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.790815 (E_RNA)
where:
Base-Base interactions energy: -135.782
where: short stacking energy: -70.486
Base-Backbone interact. energy: -1.208
local terms energy: -72.801510
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -19.125
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -9.177
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: 8, replica: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -162.983997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.983997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.983997 (E_RNA)
where:
Base-Base interactions energy: -100.960
where: short stacking energy: -41.447
Base-Backbone interact. energy: -0.251
local terms energy: -61.772389
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: 0.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -124.316096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.316096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.316096 (E_RNA)
where:
Base-Base interactions energy: -57.471
where: short stacking energy: -31.129
Base-Backbone interact. energy: -0.251
local terms energy: -66.593458
where:
bonds (distance) C4'-P energy: -19.611
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -1.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -90.931632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.931632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.931632 (E_RNA)
where:
Base-Base interactions energy: -31.664
where: short stacking energy: -25.180
Base-Backbone interact. energy: -0.269
local terms energy: -58.998679
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: 3.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -330.099052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.099052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.099052 (E_RNA)
where:
Base-Base interactions energy: -229.778
where: short stacking energy: -102.961
Base-Backbone interact. energy: -0.094
local terms energy: -100.226754
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -18.272
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -16.611
tors. eta vs tors. theta energy: -26.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -324.013998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.013998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.013998 (E_RNA)
where:
Base-Base interactions energy: -217.975
where: short stacking energy: -92.530
Base-Backbone interact. energy: -0.220
local terms energy: -105.819306
where:
bonds (distance) C4'-P energy: -20.480
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -23.383
flat angles P-C4'-P energy: -14.699
tors. eta vs tors. theta energy: -27.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -317.825667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.825667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.825667 (E_RNA)
where:
Base-Base interactions energy: -210.631
where: short stacking energy: -92.906
Base-Backbone interact. energy: -0.193
local terms energy: -107.001307
where:
bonds (distance) C4'-P energy: -20.108
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -20.372
flat angles P-C4'-P energy: -15.456
tors. eta vs tors. theta energy: -29.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -299.145298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.145298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.145298 (E_RNA)
where:
Base-Base interactions energy: -206.413
where: short stacking energy: -79.921
Base-Backbone interact. energy: -0.738
local terms energy: -91.994213
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -18.666
flat angles C4'-P-C4' energy: -21.178
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -20.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -280.245656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.245656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.245656 (E_RNA)
where:
Base-Base interactions energy: -188.765
where: short stacking energy: -87.502
Base-Backbone interact. energy: -0.124
local terms energy: -91.356799
where:
bonds (distance) C4'-P energy: -21.367
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -21.308
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -26.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -171.243705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.243705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.243705 (E_RNA)
where:
Base-Base interactions energy: -94.576
where: short stacking energy: -63.879
Base-Backbone interact. energy: -0.054
local terms energy: -76.614328
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -20.354
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -12.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -162.454582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.454582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.454582 (E_RNA)
where:
Base-Base interactions energy: -90.831
where: short stacking energy: -48.229
Base-Backbone interact. energy: -0.446
local terms energy: -71.178378
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -20.882
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -8.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -173.666827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.666827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.666827 (E_RNA)
where:
Base-Base interactions energy: -106.398
where: short stacking energy: -52.415
Base-Backbone interact. energy: -0.207
local terms energy: -67.061223
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -18.979
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -14.422
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: 9, replica: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -105.688952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.688952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.688952 (E_RNA)
where:
Base-Base interactions energy: -39.750
where: short stacking energy: -29.259
Base-Backbone interact. energy: -0.178
local terms energy: -65.760587
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -19.405
flat angles C4'-P-C4' energy: -21.046
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: 2.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -120.207016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.207016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.207016 (E_RNA)
where:
Base-Base interactions energy: -55.621
where: short stacking energy: -43.232
Base-Backbone interact. energy: -0.663
local terms energy: -63.923347
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -8.400
flat angles P-C4'-P energy: -14.454
tors. eta vs tors. theta energy: -8.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -329.420757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.420757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.420757 (E_RNA)
where:
Base-Base interactions energy: -228.209
where: short stacking energy: -103.719
Base-Backbone interact. energy: -0.093
local terms energy: -101.119133
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -21.469
flat angles C4'-P-C4' energy: -21.234
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -28.918
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: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -332.650425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.650425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.650425 (E_RNA)
where:
Base-Base interactions energy: -229.239
where: short stacking energy: -92.574
Base-Backbone interact. energy: -1.247
local terms energy: -102.164932
where:
bonds (distance) C4'-P energy: -23.055
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -27.522
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: 9
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -317.703927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.703927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.703927 (E_RNA)
where:
Base-Base interactions energy: -220.705
where: short stacking energy: -88.791
Base-Backbone interact. energy: -0.264
local terms energy: -96.734335
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -22.960
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -25.627
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: 7
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -308.487785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.487785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.487785 (E_RNA)
where:
Base-Base interactions energy: -210.053
where: short stacking energy: -83.474
Base-Backbone interact. energy: -1.313
local terms energy: -97.122522
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -21.787
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -22.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -277.471619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.471619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.471619 (E_RNA)
where:
Base-Base interactions energy: -183.560
where: short stacking energy: -81.731
Base-Backbone interact. energy: -0.371
local terms energy: -93.540695
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -23.311
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -23.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -160.782773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.782773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.782773 (E_RNA)
where:
Base-Base interactions energy: -95.291
where: short stacking energy: -47.703
Base-Backbone interact. energy: -0.495
local terms energy: -64.996634
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -18.631
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -3.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -172.239110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.239110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.239110 (E_RNA)
where:
Base-Base interactions energy: -107.753
where: short stacking energy: -55.226
Base-Backbone interact. energy: -0.269
local terms energy: -64.216325
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -21.564
flat angles P-C4'-P energy: -1.297
tors. eta vs tors. theta energy: -10.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -162.591278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.591278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.591278 (E_RNA)
where:
Base-Base interactions energy: -86.970
where: short stacking energy: -45.435
Base-Backbone interact. energy: -0.312
local terms energy: -75.309578
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -17.511
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -6.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -106.184197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.184197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.184197 (E_RNA)
where:
Base-Base interactions energy: -46.207
where: short stacking energy: -36.487
Base-Backbone interact. energy: -0.240
local terms energy: -59.737347
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -21.990
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -9.282
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: 8
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -102.609649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.609649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.609649 (E_RNA)
where:
Base-Base interactions energy: -41.417
where: short stacking energy: -36.091
Base-Backbone interact. energy: -0.589
local terms energy: -60.604233
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -6.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -326.104126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.104126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.104126 (E_RNA)
where:
Base-Base interactions energy: -227.242
where: short stacking energy: -104.149
Base-Backbone interact. energy: -0.930
local terms energy: -97.932164
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -22.116
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -26.706
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: 331
Temperature: 0.950000
Total energy: -327.248266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.248266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.248266 (E_RNA)
where:
Base-Base interactions energy: -224.833
where: short stacking energy: -84.465
Base-Backbone interact. energy: -0.124
local terms energy: -102.291500
where:
bonds (distance) C4'-P energy: -20.709
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -20.851
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -26.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -311.219126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.219126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.219126 (E_RNA)
where:
Base-Base interactions energy: -211.381
where: short stacking energy: -90.088
Base-Backbone interact. energy: -0.852
local terms energy: -98.986407
where:
bonds (distance) C4'-P energy: -20.159
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -20.759
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -26.517
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: 4, replica: 6
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -281.165646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.165646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.165646 (E_RNA)
where:
Base-Base interactions energy: -192.466
where: short stacking energy: -86.119
Base-Backbone interact. energy: -0.033
local terms energy: -88.666523
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -18.096
flat angles C4'-P-C4' energy: -20.827
flat angles P-C4'-P energy: -15.886
tors. eta vs tors. theta energy: -22.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -306.805449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.805449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.805449 (E_RNA)
where:
Base-Base interactions energy: -213.641
where: short stacking energy: -97.394
Base-Backbone interact. energy: -0.591
local terms energy: -92.573828
where:
bonds (distance) C4'-P energy: -20.361
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -12.442
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: 6, replica: 4
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -195.037559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.037559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.037559 (E_RNA)
where:
Base-Base interactions energy: -116.967
where: short stacking energy: -62.075
Base-Backbone interact. energy: -0.628
local terms energy: -77.442900
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -14.950
tors. eta vs tors. theta energy: -10.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -174.693022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.693022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.693022 (E_RNA)
where:
Base-Base interactions energy: -110.281
where: short stacking energy: -58.476
Base-Backbone interact. energy: 1.048
local terms energy: -65.459618
where:
bonds (distance) C4'-P energy: -17.637
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -4.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -116.013384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.013384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.013384 (E_RNA)
where:
Base-Base interactions energy: -46.938
where: short stacking energy: -39.713
Base-Backbone interact. energy: -0.338
local terms energy: -68.737612
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -7.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -109.519014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.519014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.519014 (E_RNA)
where:
Base-Base interactions energy: -40.098
where: short stacking energy: -40.098
Base-Backbone interact. energy: 0.030
local terms energy: -69.450916
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -5.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -102.411859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.411859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.411859 (E_RNA)
where:
Base-Base interactions energy: -45.940
where: short stacking energy: -25.344
Base-Backbone interact. energy: -0.111
local terms energy: -56.360430
where:
bonds (distance) C4'-P energy: -10.664
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -13.960
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: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -331.316355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.316355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.316355 (E_RNA)
where:
Base-Base interactions energy: -221.726
where: short stacking energy: -98.474
Base-Backbone interact. energy: -0.527
local terms energy: -109.063806
where:
bonds (distance) C4'-P energy: -18.749
bonds (distance) P-C4' energy: -22.151
flat angles C4'-P-C4' energy: -20.396
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -31.982
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: 9
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -321.450429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.450429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.450429 (E_RNA)
where:
Base-Base interactions energy: -222.212
where: short stacking energy: -96.227
Base-Backbone interact. energy: -0.317
local terms energy: -98.921676
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -18.206
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -28.519
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: 6
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -298.110901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.110901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.110901 (E_RNA)
where:
Base-Base interactions energy: -192.992
where: short stacking energy: -85.629
Base-Backbone interact. energy: -0.005
local terms energy: -105.113185
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -21.037
flat angles C4'-P-C4' energy: -22.298
flat angles P-C4'-P energy: -16.254
tors. eta vs tors. theta energy: -25.686
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: 4, replica: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -316.940637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.940637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.940637 (E_RNA)
where:
Base-Base interactions energy: -213.640
where: short stacking energy: -90.390
Base-Backbone interact. energy: -0.088
local terms energy: -103.213275
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -22.261
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -14.288
tors. eta vs tors. theta energy: -29.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -296.963997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.963997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.963997 (E_RNA)
where:
Base-Base interactions energy: -207.660
where: short stacking energy: -83.579
Base-Backbone interact. energy: -1.571
local terms energy: -87.733550
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -20.513
flat angles C4'-P-C4' energy: -20.534
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -21.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -242.400247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.400247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.400247 (E_RNA)
where:
Base-Base interactions energy: -159.850
where: short stacking energy: -71.328
Base-Backbone interact. energy: -1.192
local terms energy: -81.358099
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -11.023
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: 7, replica: 1
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -171.572017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.572017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.572017 (E_RNA)
where:
Base-Base interactions energy: -104.036
where: short stacking energy: -54.104
Base-Backbone interact. energy: -0.381
local terms energy: -67.155254
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -8.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -106.022710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.022710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.022710 (E_RNA)
where:
Base-Base interactions energy: -54.865
where: short stacking energy: -37.987
Base-Backbone interact. energy: -0.433
local terms energy: -50.723990
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -0.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -155.349279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.349279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.349279 (E_RNA)
where:
Base-Base interactions energy: -87.248
where: short stacking energy: -54.019
Base-Backbone interact. energy: -0.240
local terms energy: -67.860948
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -14.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -107.193582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.193582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.193582 (E_RNA)
where:
Base-Base interactions energy: -51.495
where: short stacking energy: -46.361
Base-Backbone interact. energy: -0.564
local terms energy: -55.134752
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -9.121
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -15.530
tors. eta vs tors. theta energy: -9.190
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: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -324.962829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.962829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.962829 (E_RNA)
where:
Base-Base interactions energy: -219.782
where: short stacking energy: -91.454
Base-Backbone interact. energy: -0.235
local terms energy: -104.945897
where:
bonds (distance) C4'-P energy: -21.991
bonds (distance) P-C4' energy: -19.666
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -16.944
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: 333
Temperature: 0.950000
Total energy: -300.798971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.798971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.798971 (E_RNA)
where:
Base-Base interactions energy: -207.253
where: short stacking energy: -92.956
Base-Backbone interact. energy: -0.673
local terms energy: -92.872690
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -25.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -308.588884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.588884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.588884 (E_RNA)
where:
Base-Base interactions energy: -209.952
where: short stacking energy: -89.989
Base-Backbone interact. energy: -0.570
local terms energy: -98.067228
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -21.530
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -27.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -306.982651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.982651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.982651 (E_RNA)
where:
Base-Base interactions energy: -217.036
where: short stacking energy: -97.284
Base-Backbone interact. energy: -0.068
local terms energy: -89.879294
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -21.947
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -25.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -306.814415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.814415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.814415 (E_RNA)
where:
Base-Base interactions energy: -207.461
where: short stacking energy: -83.244
Base-Backbone interact. energy: -0.051
local terms energy: -99.302154
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -21.099
flat angles P-C4'-P energy: -19.495
tors. eta vs tors. theta energy: -23.924
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: 333
Temperature: 1.150000
Total energy: -226.839695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.839695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.839695 (E_RNA)
where:
Base-Base interactions energy: -145.896
where: short stacking energy: -63.290
Base-Backbone interact. energy: -0.775
local terms energy: -80.168927
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -17.511
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -14.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -184.393400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.393400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.393400 (E_RNA)
where:
Base-Base interactions energy: -116.290
where: short stacking energy: -45.533
Base-Backbone interact. energy: 0.067
local terms energy: -68.170257
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -4.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -143.389496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.389496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.389496 (E_RNA)
where:
Base-Base interactions energy: -76.594
where: short stacking energy: -42.323
Base-Backbone interact. energy: -0.396
local terms energy: -66.399259
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -24.236
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: 0.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -112.400393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.400393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.400393 (E_RNA)
where:
Base-Base interactions energy: -57.348
where: short stacking energy: -48.694
Base-Backbone interact. energy: -0.192
local terms energy: -54.860545
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -108.435820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.435820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.435820 (E_RNA)
where:
Base-Base interactions energy: -50.267
where: short stacking energy: -28.920
Base-Backbone interact. energy: -1.302
local terms energy: -56.866305
where:
bonds (distance) C4'-P energy: -18.826
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -8.535
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -2.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -329.973930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.973930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.973930 (E_RNA)
where:
Base-Base interactions energy: -228.558
where: short stacking energy: -88.869
Base-Backbone interact. energy: -0.365
local terms energy: -101.050328
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -20.543
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -13.455
tors. eta vs tors. theta energy: -26.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -306.718782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.718782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.718782 (E_RNA)
where:
Base-Base interactions energy: -214.868
where: short stacking energy: -98.449
Base-Backbone interact. energy: -0.013
local terms energy: -91.837663
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -24.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -312.464298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.464298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.464298 (E_RNA)
where:
Base-Base interactions energy: -212.516
where: short stacking energy: -95.962
Base-Backbone interact. energy: -0.412
local terms energy: -99.536077
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -19.248
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -18.398
tors. eta vs tors. theta energy: -26.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -316.378486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.378486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.378486 (E_RNA)
where:
Base-Base interactions energy: -212.920
where: short stacking energy: -91.120
Base-Backbone interact. energy: -1.103
local terms energy: -102.355654
where:
bonds (distance) C4'-P energy: -18.938
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -21.925
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -26.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -299.297630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.297630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.297630 (E_RNA)
where:
Base-Base interactions energy: -216.402
where: short stacking energy: -83.823
Base-Backbone interact. energy: 0.216
local terms energy: -83.111846
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -21.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -258.360443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.360443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.360443 (E_RNA)
where:
Base-Base interactions energy: -167.796
where: short stacking energy: -65.943
Base-Backbone interact. energy: -0.270
local terms energy: -90.294673
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -20.315
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: -18.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -199.050790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.050790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.050790 (E_RNA)
where:
Base-Base interactions energy: -127.153
where: short stacking energy: -64.438
Base-Backbone interact. energy: -0.375
local terms energy: -71.522649
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -20.980
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -10.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -114.397383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.397383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.397383 (E_RNA)
where:
Base-Base interactions energy: -39.775
where: short stacking energy: -25.501
Base-Backbone interact. energy: -0.452
local terms energy: -74.169629
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -21.273
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -0.801
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: 10
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -122.335606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.335606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.335606 (E_RNA)
where:
Base-Base interactions energy: -43.941
where: short stacking energy: -43.941
Base-Backbone interact. energy: -0.168
local terms energy: -78.226759
where:
bonds (distance) C4'-P energy: -20.842
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -9.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -107.573847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.573847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.573847 (E_RNA)
where:
Base-Base interactions energy: -41.288
where: short stacking energy: -40.368
Base-Backbone interact. energy: -0.619
local terms energy: -65.666040
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -3.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -334.152857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.152857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.152857 (E_RNA)
where:
Base-Base interactions energy: -230.772
where: short stacking energy: -99.944
Base-Backbone interact. energy: -0.194
local terms energy: -103.186798
where:
bonds (distance) C4'-P energy: -22.686
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -23.836
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -27.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -330.758422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.758422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.758422 (E_RNA)
where:
Base-Base interactions energy: -220.989
where: short stacking energy: -95.993
Base-Backbone interact. energy: -0.125
local terms energy: -109.644838
where:
bonds (distance) C4'-P energy: -17.927
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -23.492
flat angles P-C4'-P energy: -17.803
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: 3, replica: 6
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -293.284597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.284597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.284597 (E_RNA)
where:
Base-Base interactions energy: -199.734
where: short stacking energy: -85.335
Base-Backbone interact. energy: -0.010
local terms energy: -93.539930
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -20.166
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -25.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -310.036144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.036144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.036144 (E_RNA)
where:
Base-Base interactions energy: -203.395
where: short stacking energy: -98.436
Base-Backbone interact. energy: -0.754
local terms energy: -105.887221
where:
bonds (distance) C4'-P energy: -20.381
bonds (distance) P-C4' energy: -20.205
flat angles C4'-P-C4' energy: -24.048
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -30.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -310.061271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.061271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.061271 (E_RNA)
where:
Base-Base interactions energy: -210.145
where: short stacking energy: -95.381
Base-Backbone interact. energy: 0.136
local terms energy: -100.052711
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -20.392
flat angles C4'-P-C4' energy: -21.958
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -25.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -273.597670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.597670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.597670 (E_RNA)
where:
Base-Base interactions energy: -182.298
where: short stacking energy: -77.731
Base-Backbone interact. energy: -0.134
local terms energy: -91.165144
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -21.153
flat angles P-C4'-P energy: -7.534
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: 7, replica: 1
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -210.256085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.256085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.256085 (E_RNA)
where:
Base-Base interactions energy: -132.025
where: short stacking energy: -43.467
Base-Backbone interact. energy: 0.159
local terms energy: -78.390070
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -20.716
flat angles P-C4'-P energy: -12.857
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: 8, replica: 8
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -135.029487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.029487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.029487 (E_RNA)
where:
Base-Base interactions energy: -81.693
where: short stacking energy: -33.407
Base-Backbone interact. energy: -0.320
local terms energy: -53.016644
where:
bonds (distance) C4'-P energy: -8.930
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -8.967
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: 9, replica: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -99.422731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.422731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.422731 (E_RNA)
where:
Base-Base interactions energy: -36.788
where: short stacking energy: -35.279
Base-Backbone interact. energy: 0.864
local terms energy: -63.498636
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -100.694644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.694644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.694644 (E_RNA)
where:
Base-Base interactions energy: -39.170
where: short stacking energy: -32.461
Base-Backbone interact. energy: 0.016
local terms energy: -61.540327
where:
bonds (distance) C4'-P energy: -23.411
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -6.797
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: 1, replica: 7
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -334.084973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.084973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.084973 (E_RNA)
where:
Base-Base interactions energy: -226.686
where: short stacking energy: -100.037
Base-Backbone interact. energy: -0.727
local terms energy: -106.672040
where:
bonds (distance) C4'-P energy: -22.428
bonds (distance) P-C4' energy: -21.322
flat angles C4'-P-C4' energy: -22.226
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: -25.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -316.924240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.924240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.924240 (E_RNA)
where:
Base-Base interactions energy: -210.840
where: short stacking energy: -90.111
Base-Backbone interact. energy: -0.102
local terms energy: -105.982439
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -21.297
flat angles C4'-P-C4' energy: -24.951
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -24.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -309.832447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.832447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.832447 (E_RNA)
where:
Base-Base interactions energy: -206.242
where: short stacking energy: -85.707
Base-Backbone interact. energy: -0.072
local terms energy: -103.518080
where:
bonds (distance) C4'-P energy: -22.447
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -23.102
flat angles P-C4'-P energy: -17.216
tors. eta vs tors. theta energy: -22.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -291.028553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.028553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.028553 (E_RNA)
where:
Base-Base interactions energy: -201.948
where: short stacking energy: -88.194
Base-Backbone interact. energy: 0.644
local terms energy: -89.723924
where:
bonds (distance) C4'-P energy: -22.828
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -24.262
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: 5
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -308.005902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.005902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.005902 (E_RNA)
where:
Base-Base interactions energy: -211.727
where: short stacking energy: -90.557
Base-Backbone interact. energy: -1.073
local terms energy: -95.206124
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -21.548
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: -26.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -252.574165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.574165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.574165 (E_RNA)
where:
Base-Base interactions energy: -161.900
where: short stacking energy: -79.602
Base-Backbone interact. energy: -0.169
local terms energy: -90.505025
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -21.455
flat angles C4'-P-C4' energy: -19.390
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -19.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -207.247451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.247451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.247451 (E_RNA)
where:
Base-Base interactions energy: -122.795
where: short stacking energy: -62.376
Base-Backbone interact. energy: 1.507
local terms energy: -85.959697
where:
bonds (distance) C4'-P energy: -20.011
bonds (distance) P-C4' energy: -21.320
flat angles C4'-P-C4' energy: -19.748
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -14.069
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: 8, replica: 8
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -118.426092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.426092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.426092 (E_RNA)
where:
Base-Base interactions energy: -44.138
where: short stacking energy: -40.071
Base-Backbone interact. energy: 0.168
local terms energy: -74.456459
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -19.618
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -9.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -119.370682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.370682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.370682 (E_RNA)
where:
Base-Base interactions energy: -66.204
where: short stacking energy: -35.601
Base-Backbone interact. energy: -0.389
local terms energy: -52.777492
where:
bonds (distance) C4'-P energy: -20.353
bonds (distance) P-C4' energy: -10.884
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -11.287
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: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -97.960905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.960905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.960905 (E_RNA)
where:
Base-Base interactions energy: -43.859
where: short stacking energy: -17.895
Base-Backbone interact. energy: -0.214
local terms energy: -53.888005
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -20.674
flat angles P-C4'-P energy: -4.338
tors. eta vs tors. theta energy: 2.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -327.885770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.885770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.885770 (E_RNA)
where:
Base-Base interactions energy: -219.782
where: short stacking energy: -99.004
Base-Backbone interact. energy: -1.775
local terms energy: -106.328342
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -22.371
flat angles C4'-P-C4' energy: -20.675
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -25.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -328.994532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.994532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.994532 (E_RNA)
where:
Base-Base interactions energy: -218.513
where: short stacking energy: -94.501
Base-Backbone interact. energy: 0.261
local terms energy: -110.742346
where:
bonds (distance) C4'-P energy: -23.092
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -23.295
flat angles P-C4'-P energy: -18.661
tors. eta vs tors. theta energy: -26.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -322.584198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.584198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.584198 (E_RNA)
where:
Base-Base interactions energy: -221.863
where: short stacking energy: -98.210
Base-Backbone interact. energy: -0.075
local terms energy: -100.646061
where:
bonds (distance) C4'-P energy: -20.211
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -14.860
tors. eta vs tors. theta energy: -29.253
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: 6
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -296.105705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.105705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.105705 (E_RNA)
where:
Base-Base interactions energy: -199.561
where: short stacking energy: -85.968
Base-Backbone interact. energy: -0.738
local terms energy: -95.806123
where:
bonds (distance) C4'-P energy: -19.549
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -21.123
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -25.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -294.472595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.472595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.472595 (E_RNA)
where:
Base-Base interactions energy: -197.293
where: short stacking energy: -84.669
Base-Backbone interact. energy: -0.163
local terms energy: -97.016468
where:
bonds (distance) C4'-P energy: -19.809
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -16.428
tors. eta vs tors. theta energy: -26.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -245.356865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.356865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.356865 (E_RNA)
where:
Base-Base interactions energy: -161.411
where: short stacking energy: -74.080
Base-Backbone interact. energy: -0.104
local terms energy: -83.842407
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -22.819
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -17.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -168.745560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.745560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.745560 (E_RNA)
where:
Base-Base interactions energy: -91.143
where: short stacking energy: -57.683
Base-Backbone interact. energy: 1.793
local terms energy: -79.395442
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -22.945
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -8.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -120.076563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.076563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.076563 (E_RNA)
where:
Base-Base interactions energy: -53.142
where: short stacking energy: -39.868
Base-Backbone interact. energy: 1.260
local terms energy: -68.194343
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -23.328
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -7.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -112.371941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.371941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.371941 (E_RNA)
where:
Base-Base interactions energy: -38.781
where: short stacking energy: -35.447
Base-Backbone interact. energy: 0.590
local terms energy: -74.181679
where:
bonds (distance) C4'-P energy: -19.967
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -6.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -106.851797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.851797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.851797 (E_RNA)
where:
Base-Base interactions energy: -60.200
where: short stacking energy: -36.702
Base-Backbone interact. energy: -0.465
local terms energy: -46.186129
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: 1.858
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: 1, replica: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -326.474786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.474786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.474786 (E_RNA)
where:
Base-Base interactions energy: -230.384
where: short stacking energy: -92.117
Base-Backbone interact. energy: -0.616
local terms energy: -95.474814
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -23.465
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -26.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -313.422297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.422297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.422297 (E_RNA)
where:
Base-Base interactions energy: -219.924
where: short stacking energy: -90.747
Base-Backbone interact. energy: -0.173
local terms energy: -93.325024
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -21.320
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: -24.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -316.073618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.073618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.073618 (E_RNA)
where:
Base-Base interactions energy: -218.226
where: short stacking energy: -91.582
Base-Backbone interact. energy: -0.227
local terms energy: -97.621281
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -15.982
tors. eta vs tors. theta energy: -26.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -286.536872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.536872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.536872 (E_RNA)
where:
Base-Base interactions energy: -193.747
where: short stacking energy: -81.852
Base-Backbone interact. energy: -0.477
local terms energy: -92.312057
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -22.746
flat angles C4'-P-C4' energy: -18.967
flat angles P-C4'-P energy: -12.306
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: 5, replica: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -309.995783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.995783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.995783 (E_RNA)
where:
Base-Base interactions energy: -214.188
where: short stacking energy: -90.133
Base-Backbone interact. energy: 0.704
local terms energy: -96.511447
where:
bonds (distance) C4'-P energy: -23.068
bonds (distance) P-C4' energy: -21.313
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -26.228
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: 6, replica: 4
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -255.494260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.494260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.494260 (E_RNA)
where:
Base-Base interactions energy: -173.600
where: short stacking energy: -81.943
Base-Backbone interact. energy: -0.202
local terms energy: -81.692423
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -12.087
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: 7, replica: 1
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -162.267038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.267038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.267038 (E_RNA)
where:
Base-Base interactions energy: -92.592
where: short stacking energy: -43.783
Base-Backbone interact. energy: 0.750
local terms energy: -70.424393
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -20.397
flat angles P-C4'-P energy: -13.190
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: 3
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -134.897521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.897521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.897521 (E_RNA)
where:
Base-Base interactions energy: -64.438
where: short stacking energy: -38.305
Base-Backbone interact. energy: -0.175
local terms energy: -70.284730
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -20.433
flat angles P-C4'-P energy: -15.509
tors. eta vs tors. theta energy: -0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -96.780129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.780129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.780129 (E_RNA)
where:
Base-Base interactions energy: -32.931
where: short stacking energy: -27.964
Base-Backbone interact. energy: -0.251
local terms energy: -63.598110
where:
bonds (distance) C4'-P energy: -20.956
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -7.508
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: 8
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -99.858784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.858784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.858784 (E_RNA)
where:
Base-Base interactions energy: -42.627
where: short stacking energy: -40.152
Base-Backbone interact. energy: -0.337
local terms energy: -56.895280
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -3.969
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: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -328.716732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.716732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.716732 (E_RNA)
where:
Base-Base interactions energy: -218.720
where: short stacking energy: -100.070
Base-Backbone interact. energy: -0.266
local terms energy: -109.730775
where:
bonds (distance) C4'-P energy: -21.523
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -20.953
flat angles P-C4'-P energy: -15.119
tors. eta vs tors. theta energy: -29.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -337.234672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.234672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.234672 (E_RNA)
where:
Base-Base interactions energy: -224.105
where: short stacking energy: -95.382
Base-Backbone interact. energy: -0.456
local terms energy: -112.674558
where:
bonds (distance) C4'-P energy: -22.351
bonds (distance) P-C4' energy: -23.188
flat angles C4'-P-C4' energy: -24.747
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -28.283
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: 339
Temperature: 1.000000
Total energy: -312.271474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.271474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.271474 (E_RNA)
where:
Base-Base interactions energy: -212.294
where: short stacking energy: -87.522
Base-Backbone interact. energy: 0.817
local terms energy: -100.794867
where:
bonds (distance) C4'-P energy: -22.492
bonds (distance) P-C4' energy: -21.411
flat angles C4'-P-C4' energy: -24.987
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -19.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -318.113553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.113553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.113553 (E_RNA)
where:
Base-Base interactions energy: -216.637
where: short stacking energy: -93.487
Base-Backbone interact. energy: 1.383
local terms energy: -102.859851
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -19.360
flat angles P-C4'-P energy: -19.421
tors. eta vs tors. theta energy: -26.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -274.487499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.487499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.487499 (E_RNA)
where:
Base-Base interactions energy: -180.881
where: short stacking energy: -82.179
Base-Backbone interact. energy: -0.053
local terms energy: -93.553408
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -21.168
flat angles C4'-P-C4' energy: -20.299
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -22.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -256.066742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.066742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.066742 (E_RNA)
where:
Base-Base interactions energy: -162.068
where: short stacking energy: -66.614
Base-Backbone interact. energy: 0.715
local terms energy: -94.714125
where:
bonds (distance) C4'-P energy: -17.634
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -23.931
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -22.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -177.832393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.832393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.832393 (E_RNA)
where:
Base-Base interactions energy: -106.665
where: short stacking energy: -50.022
Base-Backbone interact. energy: -0.326
local terms energy: -70.840940
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -21.817
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -7.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -141.105209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.105209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.105209 (E_RNA)
where:
Base-Base interactions energy: -78.671
where: short stacking energy: -40.013
Base-Backbone interact. energy: 0.976
local terms energy: -63.411014
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -7.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -109.964004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.964004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.964004 (E_RNA)
where:
Base-Base interactions energy: -40.235
where: short stacking energy: -40.235
Base-Backbone interact. energy: -0.175
local terms energy: -69.554143
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -17.772
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -7.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -107.581057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.581057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.581057 (E_RNA)
where:
Base-Base interactions energy: -41.694
where: short stacking energy: -39.172
Base-Backbone interact. energy: -0.667
local terms energy: -65.219959
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -12.488
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -333.361859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.361859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.361859 (E_RNA)
where:
Base-Base interactions energy: -238.199
where: short stacking energy: -94.709
Base-Backbone interact. energy: -0.379
local terms energy: -94.783781
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -22.261
flat angles C4'-P-C4' energy: -21.154
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -24.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -327.966440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.966440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.966440 (E_RNA)
where:
Base-Base interactions energy: -220.208
where: short stacking energy: -100.168
Base-Backbone interact. energy: 0.505
local terms energy: -108.263450
where:
bonds (distance) C4'-P energy: -18.818
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -25.002
flat angles P-C4'-P energy: -16.873
tors. eta vs tors. theta energy: -30.255
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: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -319.162974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.162974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.162974 (E_RNA)
where:
Base-Base interactions energy: -214.750
where: short stacking energy: -95.791
Base-Backbone interact. energy: -0.306
local terms energy: -104.106950
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -21.163
flat angles P-C4'-P energy: -17.439
tors. eta vs tors. theta energy: -27.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -313.048010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.048010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.048010 (E_RNA)
where:
Base-Base interactions energy: -212.215
where: short stacking energy: -92.616
Base-Backbone interact. energy: -0.486
local terms energy: -100.346650
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -15.566
tors. eta vs tors. theta energy: -24.328
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: 6
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -264.507733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.507733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.507733 (E_RNA)
where:
Base-Base interactions energy: -176.789
where: short stacking energy: -72.423
Base-Backbone interact. energy: -0.562
local terms energy: -87.157107
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -19.064
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: -15.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -240.722170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.722170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.722170 (E_RNA)
where:
Base-Base interactions energy: -152.506
where: short stacking energy: -72.570
Base-Backbone interact. energy: -1.505
local terms energy: -86.711207
where:
bonds (distance) C4'-P energy: -18.301
bonds (distance) P-C4' energy: -19.900
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -16.479
tors. eta vs tors. theta energy: -13.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -197.517322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.517322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.517322 (E_RNA)
where:
Base-Base interactions energy: -122.007
where: short stacking energy: -48.810
Base-Backbone interact. energy: -0.461
local terms energy: -75.049215
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -11.735
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: 8, replica: 3
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -112.710968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.710968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.710968 (E_RNA)
where:
Base-Base interactions energy: -50.208
where: short stacking energy: -40.637
Base-Backbone interact. energy: 2.206
local terms energy: -64.709492
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -9.420
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: 9, replica: 8
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -116.532043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.532043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.532043 (E_RNA)
where:
Base-Base interactions energy: -50.225
where: short stacking energy: -40.342
Base-Backbone interact. energy: -0.403
local terms energy: -65.903596
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -18.807
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -105.549067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.549067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.549067 (E_RNA)
where:
Base-Base interactions energy: -38.480
where: short stacking energy: -35.074
Base-Backbone interact. energy: -0.043
local terms energy: -67.026289
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -23.172
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -6.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -328.922017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.922017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.922017 (E_RNA)
where:
Base-Base interactions energy: -224.475
where: short stacking energy: -97.773
Base-Backbone interact. energy: -0.595
local terms energy: -103.851456
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -20.839
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -27.129
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: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -317.417729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.417729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.417729 (E_RNA)
where:
Base-Base interactions energy: -220.677
where: short stacking energy: -94.782
Base-Backbone interact. energy: -0.076
local terms energy: -96.664981
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -21.889
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -27.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -308.821587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.821587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.821587 (E_RNA)
where:
Base-Base interactions energy: -213.016
where: short stacking energy: -87.991
Base-Backbone interact. energy: -0.356
local terms energy: -95.449239
where:
bonds (distance) C4'-P energy: -21.669
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -14.634
tors. eta vs tors. theta energy: -26.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -306.317501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.317501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.317501 (E_RNA)
where:
Base-Base interactions energy: -218.013
where: short stacking energy: -93.394
Base-Backbone interact. energy: -0.184
local terms energy: -88.120858
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -17.747
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -26.108
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: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -279.126763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.126763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.126763 (E_RNA)
where:
Base-Base interactions energy: -193.036
where: short stacking energy: -84.076
Base-Backbone interact. energy: -0.220
local terms energy: -85.870844
where:
bonds (distance) C4'-P energy: -20.684
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -23.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -243.276504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.276504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.276504 (E_RNA)
where:
Base-Base interactions energy: -152.981
where: short stacking energy: -70.932
Base-Backbone interact. energy: -0.474
local terms energy: -89.822226
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -19.216
flat angles C4'-P-C4' energy: -19.592
flat angles P-C4'-P energy: -16.466
tors. eta vs tors. theta energy: -19.937
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: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -192.438713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.438713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.438713 (E_RNA)
where:
Base-Base interactions energy: -114.351
where: short stacking energy: -66.464
Base-Backbone interact. energy: 0.528
local terms energy: -78.615910
where:
bonds (distance) C4'-P energy: -20.153
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -15.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -122.271177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.271177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.271177 (E_RNA)
where:
Base-Base interactions energy: -54.037
where: short stacking energy: -34.812
Base-Backbone interact. energy: -0.054
local terms energy: -68.180167
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -19.741
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -103.568116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.568116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.568116 (E_RNA)
where:
Base-Base interactions energy: -38.410
where: short stacking energy: -24.602
Base-Backbone interact. energy: -0.156
local terms energy: -65.001615
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -2.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -107.747889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.747889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.747889 (E_RNA)
where:
Base-Base interactions energy: -42.189
where: short stacking energy: -42.189
Base-Backbone interact. energy: -0.121
local terms energy: -65.437683
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -6.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -331.612879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.612879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.612879 (E_RNA)
where:
Base-Base interactions energy: -227.092
where: short stacking energy: -99.357
Base-Backbone interact. energy: -0.094
local terms energy: -104.426768
where:
bonds (distance) C4'-P energy: -21.996
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -15.370
tors. eta vs tors. theta energy: -30.253
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: 9
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -324.772476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.772476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.772476 (E_RNA)
where:
Base-Base interactions energy: -216.160
where: short stacking energy: -92.603
Base-Backbone interact. energy: -0.085
local terms energy: -108.527318
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -21.450
flat angles P-C4'-P energy: -17.078
tors. eta vs tors. theta energy: -30.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -317.967483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.967483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.967483 (E_RNA)
where:
Base-Base interactions energy: -218.013
where: short stacking energy: -96.211
Base-Backbone interact. energy: -0.124
local terms energy: -99.829797
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -18.701
flat angles C4'-P-C4' energy: -21.880
flat angles P-C4'-P energy: -17.007
tors. eta vs tors. theta energy: -24.587
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: 342
Temperature: 1.050000
Total energy: -299.274466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.274466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.274466 (E_RNA)
where:
Base-Base interactions energy: -200.895
where: short stacking energy: -78.306
Base-Backbone interact. energy: 1.140
local terms energy: -99.519467
where:
bonds (distance) C4'-P energy: -22.804
bonds (distance) P-C4' energy: -23.145
flat angles C4'-P-C4' energy: -22.502
flat angles P-C4'-P energy: -12.658
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: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -281.274804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.274804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.274804 (E_RNA)
where:
Base-Base interactions energy: -184.809
where: short stacking energy: -81.572
Base-Backbone interact. energy: -0.209
local terms energy: -96.257161
where:
bonds (distance) C4'-P energy: -20.498
bonds (distance) P-C4' energy: -20.823
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -24.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -231.386483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.386483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.386483 (E_RNA)
where:
Base-Base interactions energy: -150.801
where: short stacking energy: -70.005
Base-Backbone interact. energy: -0.258
local terms energy: -80.327860
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -12.998
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: 7, replica: 1
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -189.957196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.957196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.957196 (E_RNA)
where:
Base-Base interactions energy: -109.422
where: short stacking energy: -67.042
Base-Backbone interact. energy: -0.339
local terms energy: -80.196296
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -22.508
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -4.934
tors. eta vs tors. theta energy: -16.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -106.356262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.356262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.356262 (E_RNA)
where:
Base-Base interactions energy: -36.801
where: short stacking energy: -36.801
Base-Backbone interact. energy: 1.653
local terms energy: -71.208289
where:
bonds (distance) C4'-P energy: -18.481
bonds (distance) P-C4' energy: -22.195
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -2.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -105.926770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.926770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.926770 (E_RNA)
where:
Base-Base interactions energy: -32.547
where: short stacking energy: -27.344
Base-Backbone interact. energy: 0.212
local terms energy: -73.591554
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -22.492
flat angles C4'-P-C4' energy: -21.693
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -112.370957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.370957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.370957 (E_RNA)
where:
Base-Base interactions energy: -54.066
where: short stacking energy: -43.450
Base-Backbone interact. energy: -1.159
local terms energy: -57.146172
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -1.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -332.295470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.295470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.295470 (E_RNA)
where:
Base-Base interactions energy: -230.141
where: short stacking energy: -99.596
Base-Backbone interact. energy: 0.358
local terms energy: -102.512635
where:
bonds (distance) C4'-P energy: -21.287
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -30.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -323.006338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.006338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.006338 (E_RNA)
where:
Base-Base interactions energy: -212.454
where: short stacking energy: -93.202
Base-Backbone interact. energy: -0.573
local terms energy: -109.979727
where:
bonds (distance) C4'-P energy: -20.724
bonds (distance) P-C4' energy: -22.007
flat angles C4'-P-C4' energy: -22.926
flat angles P-C4'-P energy: -16.536
tors. eta vs tors. theta energy: -27.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -317.630085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.630085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.630085 (E_RNA)
where:
Base-Base interactions energy: -228.093
where: short stacking energy: -98.055
Base-Backbone interact. energy: 0.643
local terms energy: -90.179752
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -23.390
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -21.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -296.687701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.687701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.687701 (E_RNA)
where:
Base-Base interactions energy: -195.013
where: short stacking energy: -77.434
Base-Backbone interact. energy: -0.554
local terms energy: -101.121182
where:
bonds (distance) C4'-P energy: -21.063
bonds (distance) P-C4' energy: -20.851
flat angles C4'-P-C4' energy: -19.794
flat angles P-C4'-P energy: -16.172
tors. eta vs tors. theta energy: -23.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -290.082051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.082051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.082051 (E_RNA)
where:
Base-Base interactions energy: -188.526
where: short stacking energy: -85.021
Base-Backbone interact. energy: 1.552
local terms energy: -103.107917
where:
bonds (distance) C4'-P energy: -19.272
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -20.685
flat angles P-C4'-P energy: -17.241
tors. eta vs tors. theta energy: -25.601
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: 4
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -256.216839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.216839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.216839 (E_RNA)
where:
Base-Base interactions energy: -175.851
where: short stacking energy: -67.698
Base-Backbone interact. energy: 2.808
local terms energy: -83.174038
where:
bonds (distance) C4'-P energy: -20.150
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -15.823
tors. eta vs tors. theta energy: -14.214
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: 7, replica: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -169.513851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.513851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.513851 (E_RNA)
where:
Base-Base interactions energy: -88.421
where: short stacking energy: -50.162
Base-Backbone interact. energy: -0.174
local terms energy: -80.919353
where:
bonds (distance) C4'-P energy: -20.960
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -21.755
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -11.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -117.524275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.524275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.524275 (E_RNA)
where:
Base-Base interactions energy: -49.045
where: short stacking energy: -39.356
Base-Backbone interact. energy: -0.085
local terms energy: -68.393964
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -18.162
flat angles C4'-P-C4' energy: -20.011
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -104.268781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.268781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.268781 (E_RNA)
where:
Base-Base interactions energy: -39.472
where: short stacking energy: -33.942
Base-Backbone interact. energy: -0.734
local terms energy: -64.062681
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -19.537
flat angles C4'-P-C4' energy: -9.517
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -6.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -118.448314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.448314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.448314 (E_RNA)
where:
Base-Base interactions energy: -55.563
where: short stacking energy: -28.457
Base-Backbone interact. energy: 0.025
local terms energy: -62.909925
where:
bonds (distance) C4'-P energy: -19.401
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -4.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -330.673151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.673151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.673151 (E_RNA)
where:
Base-Base interactions energy: -225.954
where: short stacking energy: -98.475
Base-Backbone interact. energy: -0.114
local terms energy: -104.605239
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: -31.448
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: 2, replica: 9
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -330.863661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.863661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.863661 (E_RNA)
where:
Base-Base interactions energy: -222.010
where: short stacking energy: -96.858
Base-Backbone interact. energy: 0.195
local terms energy: -109.048162
where:
bonds (distance) C4'-P energy: -19.371
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -24.650
flat angles P-C4'-P energy: -15.944
tors. eta vs tors. theta energy: -28.873
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: 2
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -318.340033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.340033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.340033 (E_RNA)
where:
Base-Base interactions energy: -220.285
where: short stacking energy: -98.206
Base-Backbone interact. energy: -0.151
local terms energy: -97.903381
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -24.123
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -27.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -295.874169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.874169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.874169 (E_RNA)
where:
Base-Base interactions energy: -204.842
where: short stacking energy: -84.824
Base-Backbone interact. energy: -0.950
local terms energy: -90.082156
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -19.244
flat angles P-C4'-P energy: -13.476
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: 5, replica: 4
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -273.407284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.407284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.407284 (E_RNA)
where:
Base-Base interactions energy: -193.772
where: short stacking energy: -79.322
Base-Backbone interact. energy: 0.006
local terms energy: -79.640768
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -19.114
flat angles C4'-P-C4' energy: -20.211
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -17.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -275.676576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.676576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.676576 (E_RNA)
where:
Base-Base interactions energy: -179.154
where: short stacking energy: -78.755
Base-Backbone interact. energy: -0.014
local terms energy: -96.508041
where:
bonds (distance) C4'-P energy: -17.392
bonds (distance) P-C4' energy: -20.982
flat angles C4'-P-C4' energy: -21.638
flat angles P-C4'-P energy: -12.085
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: 7, replica: 1
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -220.604646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.604646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.604646 (E_RNA)
where:
Base-Base interactions energy: -138.651
where: short stacking energy: -56.559
Base-Backbone interact. energy: -0.085
local terms energy: -81.869199
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -22.071
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -15.220
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: 8, replica: 10
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -115.572013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.572013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.572013 (E_RNA)
where:
Base-Base interactions energy: -46.923
where: short stacking energy: -37.462
Base-Backbone interact. energy: -0.515
local terms energy: -68.134091
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -21.937
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: -2.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -112.751009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.751009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.751009 (E_RNA)
where:
Base-Base interactions energy: -41.581
where: short stacking energy: -41.112
Base-Backbone interact. energy: 0.695
local terms energy: -71.864895
where:
bonds (distance) C4'-P energy: -21.019
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -8.100
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: 10, replica: 3
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -103.783012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.783012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.783012 (E_RNA)
where:
Base-Base interactions energy: -33.555
where: short stacking energy: -33.555
Base-Backbone interact. energy: 0.091
local terms energy: -70.318714
where:
bonds (distance) C4'-P energy: -17.976
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -8.463
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: 5
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -325.403207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.403207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.403207 (E_RNA)
where:
Base-Base interactions energy: -222.063
where: short stacking energy: -97.198
Base-Backbone interact. energy: -0.464
local terms energy: -102.875940
where:
bonds (distance) C4'-P energy: -23.627
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -20.647
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -25.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -327.281116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.281116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.281116 (E_RNA)
where:
Base-Base interactions energy: -220.359
where: short stacking energy: -98.193
Base-Backbone interact. energy: 0.029
local terms energy: -106.951755
where:
bonds (distance) C4'-P energy: -20.079
bonds (distance) P-C4' energy: -23.836
flat angles C4'-P-C4' energy: -19.935
flat angles P-C4'-P energy: -15.866
tors. eta vs tors. theta energy: -27.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -324.874377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.874377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.874377 (E_RNA)
where:
Base-Base interactions energy: -229.065
where: short stacking energy: -92.478
Base-Backbone interact. energy: -0.190
local terms energy: -95.618900
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -22.040
flat angles C4'-P-C4' energy: -23.139
flat angles P-C4'-P energy: -16.024
tors. eta vs tors. theta energy: -20.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -275.480549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.480549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.480549 (E_RNA)
where:
Base-Base interactions energy: -185.974
where: short stacking energy: -82.625
Base-Backbone interact. energy: -0.464
local terms energy: -89.043063
where:
bonds (distance) C4'-P energy: -19.843
bonds (distance) P-C4' energy: -22.749
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -9.128
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: 5, replica: 7
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -295.467896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.467896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.467896 (E_RNA)
where:
Base-Base interactions energy: -207.485
where: short stacking energy: -87.844
Base-Backbone interact. energy: -0.232
local terms energy: -87.751061
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -22.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -269.127506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.127506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.127506 (E_RNA)
where:
Base-Base interactions energy: -174.452
where: short stacking energy: -74.010
Base-Backbone interact. energy: 0.509
local terms energy: -95.184306
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -19.682
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -23.328
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: 1
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -201.700186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.700186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.700186 (E_RNA)
where:
Base-Base interactions energy: -123.458
where: short stacking energy: -55.783
Base-Backbone interact. energy: -0.588
local terms energy: -77.654274
where:
bonds (distance) C4'-P energy: -19.053
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -12.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -134.266660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.266660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.266660 (E_RNA)
where:
Base-Base interactions energy: -64.775
where: short stacking energy: -41.939
Base-Backbone interact. energy: 0.313
local terms energy: -69.804703
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -20.998
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -9.034
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: 10
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -103.305523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.305523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.305523 (E_RNA)
where:
Base-Base interactions energy: -37.650
where: short stacking energy: -35.901
Base-Backbone interact. energy: -0.220
local terms energy: -65.435421
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -20.411
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -0.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -89.132066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.132066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.132066 (E_RNA)
where:
Base-Base interactions energy: -19.188
where: short stacking energy: -15.578
Base-Backbone interact. energy: -0.264
local terms energy: -69.680397
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -21.449
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: 4.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -327.071961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.071961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.071961 (E_RNA)
where:
Base-Base interactions energy: -227.552
where: short stacking energy: -98.554
Base-Backbone interact. energy: -0.276
local terms energy: -99.244690
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -20.548
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -29.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -323.376595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.376595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.376595 (E_RNA)
where:
Base-Base interactions energy: -222.860
where: short stacking energy: -91.508
Base-Backbone interact. energy: -0.375
local terms energy: -100.142236
where:
bonds (distance) C4'-P energy: -20.112
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -23.010
flat angles P-C4'-P energy: -15.180
tors. eta vs tors. theta energy: -25.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -328.112155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.112155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.112155 (E_RNA)
where:
Base-Base interactions energy: -219.092
where: short stacking energy: -99.951
Base-Backbone interact. energy: -0.108
local terms energy: -108.911708
where:
bonds (distance) C4'-P energy: -21.900
bonds (distance) P-C4' energy: -21.370
flat angles C4'-P-C4' energy: -25.434
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -25.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -281.659974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.659974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.659974 (E_RNA)
where:
Base-Base interactions energy: -200.999
where: short stacking energy: -84.983
Base-Backbone interact. energy: -0.424
local terms energy: -80.237156
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -9.447
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: -19.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -295.807032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.807032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.807032 (E_RNA)
where:
Base-Base interactions energy: -199.726
where: short stacking energy: -78.743
Base-Backbone interact. energy: 1.506
local terms energy: -97.587132
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -21.464
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -24.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -273.762256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.762256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.762256 (E_RNA)
where:
Base-Base interactions energy: -187.075
where: short stacking energy: -83.740
Base-Backbone interact. energy: -0.370
local terms energy: -86.317419
where:
bonds (distance) C4'-P energy: -19.185
bonds (distance) P-C4' energy: -19.366
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -20.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -171.748218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.748218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.748218 (E_RNA)
where:
Base-Base interactions energy: -91.130
where: short stacking energy: -52.719
Base-Backbone interact. energy: -0.103
local terms energy: -80.515739
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -21.664
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -16.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -121.371128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.371128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.371128 (E_RNA)
where:
Base-Base interactions energy: -48.680
where: short stacking energy: -43.211
Base-Backbone interact. energy: 0.752
local terms energy: -73.443859
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -18.854
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -98.820409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.820409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.820409 (E_RNA)
where:
Base-Base interactions energy: -43.692
where: short stacking energy: -35.752
Base-Backbone interact. energy: 2.205
local terms energy: -57.333620
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: 1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -100.996873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.996873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.996873 (E_RNA)
where:
Base-Base interactions energy: -38.757
where: short stacking energy: -30.494
Base-Backbone interact. energy: 0.666
local terms energy: -62.905555
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: 0.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -329.669320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.669320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.669320 (E_RNA)
where:
Base-Base interactions energy: -231.316
where: short stacking energy: -96.252
Base-Backbone interact. energy: -0.111
local terms energy: -98.242437
where:
bonds (distance) C4'-P energy: -21.602
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -23.029
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -29.940
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: 5
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -326.462122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.462122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.462122 (E_RNA)
where:
Base-Base interactions energy: -223.735
where: short stacking energy: -98.051
Base-Backbone interact. energy: -0.605
local terms energy: -102.121786
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -21.301
flat angles C4'-P-C4' energy: -22.919
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -29.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -321.276028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.276028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.276028 (E_RNA)
where:
Base-Base interactions energy: -219.732
where: short stacking energy: -92.425
Base-Backbone interact. energy: 0.376
local terms energy: -101.919972
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -22.152
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -25.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -303.568059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.568059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.568059 (E_RNA)
where:
Base-Base interactions energy: -214.728
where: short stacking energy: -95.042
Base-Backbone interact. energy: -0.104
local terms energy: -88.735443
where:
bonds (distance) C4'-P energy: -19.459
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -21.684
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -26.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -274.023178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.023178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.023178 (E_RNA)
where:
Base-Base interactions energy: -186.769
where: short stacking energy: -76.342
Base-Backbone interact. energy: -0.443
local terms energy: -86.811568
where:
bonds (distance) C4'-P energy: -19.337
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -19.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -266.795446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.795446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.795446 (E_RNA)
where:
Base-Base interactions energy: -182.453
where: short stacking energy: -74.770
Base-Backbone interact. energy: -0.278
local terms energy: -84.064669
where:
bonds (distance) C4'-P energy: -20.771
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -19.036
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -20.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -194.504136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.504136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.504136 (E_RNA)
where:
Base-Base interactions energy: -119.358
where: short stacking energy: -57.767
Base-Backbone interact. energy: -0.339
local terms energy: -74.806920
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -14.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -108.980161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.980161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.980161 (E_RNA)
where:
Base-Base interactions energy: -42.849
where: short stacking energy: -39.202
Base-Backbone interact. energy: 0.510
local terms energy: -66.641300
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -110.360985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.360985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.360985 (E_RNA)
where:
Base-Base interactions energy: -51.590
where: short stacking energy: -31.413
Base-Backbone interact. energy: -0.222
local terms energy: -58.549118
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -4.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -103.032625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.032625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.032625 (E_RNA)
where:
Base-Base interactions energy: -38.291
where: short stacking energy: -38.329
Base-Backbone interact. energy: -0.291
local terms energy: -64.451023
where:
bonds (distance) C4'-P energy: -18.969
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -3.321
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: 5
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -328.010614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.010614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.010614 (E_RNA)
where:
Base-Base interactions energy: -225.160
where: short stacking energy: -99.076
Base-Backbone interact. energy: -0.667
local terms energy: -102.182831
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -22.916
flat angles C4'-P-C4' energy: -19.806
flat angles P-C4'-P energy: -16.808
tors. eta vs tors. theta energy: -26.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -325.693252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.693252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.693252 (E_RNA)
where:
Base-Base interactions energy: -220.768
where: short stacking energy: -97.409
Base-Backbone interact. energy: -0.344
local terms energy: -104.581549
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -21.616
flat angles C4'-P-C4' energy: -21.077
flat angles P-C4'-P energy: -16.710
tors. eta vs tors. theta energy: -27.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -317.863897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.863897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.863897 (E_RNA)
where:
Base-Base interactions energy: -211.785
where: short stacking energy: -84.656
Base-Backbone interact. energy: -0.188
local terms energy: -105.891215
where:
bonds (distance) C4'-P energy: -21.772
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -21.520
flat angles P-C4'-P energy: -15.285
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: 4, replica: 9
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -309.529353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.529353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.529353 (E_RNA)
where:
Base-Base interactions energy: -212.136
where: short stacking energy: -88.094
Base-Backbone interact. energy: -0.663
local terms energy: -96.730574
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -14.319
tors. eta vs tors. theta energy: -26.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -271.108816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.108816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.108816 (E_RNA)
where:
Base-Base interactions energy: -184.062
where: short stacking energy: -75.651
Base-Backbone interact. energy: 1.399
local terms energy: -88.446532
where:
bonds (distance) C4'-P energy: -19.793
bonds (distance) P-C4' energy: -21.993
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -274.658584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.658584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.658584 (E_RNA)
where:
Base-Base interactions energy: -184.531
where: short stacking energy: -82.770
Base-Backbone interact. energy: -0.353
local terms energy: -89.774616
where:
bonds (distance) C4'-P energy: -19.148
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -26.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -130.785603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.785603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.785603 (E_RNA)
where:
Base-Base interactions energy: -56.674
where: short stacking energy: -47.241
Base-Backbone interact. energy: -0.292
local terms energy: -73.820141
where:
bonds (distance) C4'-P energy: -20.601
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -21.553
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -6.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -158.209227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.209227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.209227 (E_RNA)
where:
Base-Base interactions energy: -86.253
where: short stacking energy: -42.342
Base-Backbone interact. energy: -1.343
local terms energy: -70.612450
where:
bonds (distance) C4'-P energy: -20.895
bonds (distance) P-C4' energy: -22.466
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -10.235
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: 9, replica: 8
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -111.786829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.786829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.786829 (E_RNA)
where:
Base-Base interactions energy: -47.579
where: short stacking energy: -44.387
Base-Backbone interact. energy: -0.287
local terms energy: -63.920576
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -21.579
flat angles C4'-P-C4' energy: -19.463
flat angles P-C4'-P energy: -7.451
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: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -111.415620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.415620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.415620 (E_RNA)
where:
Base-Base interactions energy: -50.005
where: short stacking energy: -28.962
Base-Backbone interact. energy: -0.154
local terms energy: -61.256245
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -19.226
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -2.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -333.736896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.736896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.736896 (E_RNA)
where:
Base-Base interactions energy: -228.697
where: short stacking energy: -102.546
Base-Backbone interact. energy: -0.193
local terms energy: -104.847358
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -19.765
flat angles C4'-P-C4' energy: -24.201
flat angles P-C4'-P energy: -15.308
tors. eta vs tors. theta energy: -27.441
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: 7
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -332.761199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.761199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.761199 (E_RNA)
where:
Base-Base interactions energy: -228.561
where: short stacking energy: -103.093
Base-Backbone interact. energy: -0.392
local terms energy: -103.807405
where:
bonds (distance) C4'-P energy: -21.881
bonds (distance) P-C4' energy: -20.414
flat angles C4'-P-C4' energy: -20.707
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -32.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -325.781646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.781646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.781646 (E_RNA)
where:
Base-Base interactions energy: -218.179
where: short stacking energy: -89.405
Base-Backbone interact. energy: 1.172
local terms energy: -108.774585
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -24.088
flat angles P-C4'-P energy: -17.998
tors. eta vs tors. theta energy: -25.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -280.591271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.591271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.591271 (E_RNA)
where:
Base-Base interactions energy: -187.835
where: short stacking energy: -83.856
Base-Backbone interact. energy: -0.656
local terms energy: -92.100617
where:
bonds (distance) C4'-P energy: -19.303
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -13.225
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: 5, replica: 9
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -303.016465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.016465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.016465 (E_RNA)
where:
Base-Base interactions energy: -212.417
where: short stacking energy: -96.617
Base-Backbone interact. energy: -0.120
local terms energy: -90.479863
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -26.486
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: 6, replica: 6
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -278.992436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.992436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.992436 (E_RNA)
where:
Base-Base interactions energy: -180.066
where: short stacking energy: -79.696
Base-Backbone interact. energy: -0.684
local terms energy: -98.242500
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -23.409
flat angles C4'-P-C4' energy: -21.096
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -21.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -118.360026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.360026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.360026 (E_RNA)
where:
Base-Base interactions energy: -44.817
where: short stacking energy: -36.171
Base-Backbone interact. energy: 1.931
local terms energy: -75.473203
where:
bonds (distance) C4'-P energy: -23.122
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -13.611
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: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -170.551358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.551358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.551358 (E_RNA)
where:
Base-Base interactions energy: -96.557
where: short stacking energy: -47.467
Base-Backbone interact. energy: -0.487
local terms energy: -73.507691
where:
bonds (distance) C4'-P energy: -21.089
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -12.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -107.015101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.015101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.015101 (E_RNA)
where:
Base-Base interactions energy: -41.300
where: short stacking energy: -32.976
Base-Backbone interact. energy: -0.019
local terms energy: -65.695744
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -20.876
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -4.570
tors. eta vs tors. theta energy: -7.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -109.032492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.032492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.032492 (E_RNA)
where:
Base-Base interactions energy: -47.179
where: short stacking energy: -35.922
Base-Backbone interact. energy: -0.092
local terms energy: -61.761548
where:
bonds (distance) C4'-P energy: -21.624
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -7.144
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -4.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -333.565908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.565908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.565908 (E_RNA)
where:
Base-Base interactions energy: -223.609
where: short stacking energy: -104.293
Base-Backbone interact. energy: -0.124
local terms energy: -109.832193
where:
bonds (distance) C4'-P energy: -20.809
bonds (distance) P-C4' energy: -19.248
flat angles C4'-P-C4' energy: -23.821
flat angles P-C4'-P energy: -16.228
tors. eta vs tors. theta energy: -29.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -318.578018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.578018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.578018 (E_RNA)
where:
Base-Base interactions energy: -220.942
where: short stacking energy: -94.228
Base-Backbone interact. energy: -0.744
local terms energy: -96.892843
where:
bonds (distance) C4'-P energy: -19.926
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -20.232
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -29.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -321.574290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.574290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.574290 (E_RNA)
where:
Base-Base interactions energy: -217.160
where: short stacking energy: -89.798
Base-Backbone interact. energy: -0.201
local terms energy: -104.213657
where:
bonds (distance) C4'-P energy: -20.899
bonds (distance) P-C4' energy: -22.838
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -27.581
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: 4
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -277.266424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.266424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.266424 (E_RNA)
where:
Base-Base interactions energy: -189.356
where: short stacking energy: -75.888
Base-Backbone interact. energy: 1.255
local terms energy: -89.165869
where:
bonds (distance) C4'-P energy: -21.781
bonds (distance) P-C4' energy: -19.218
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -17.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -283.399120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.399120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.399120 (E_RNA)
where:
Base-Base interactions energy: -196.709
where: short stacking energy: -77.289
Base-Backbone interact. energy: -0.326
local terms energy: -86.364237
where:
bonds (distance) C4'-P energy: -17.832
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -19.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -280.050887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.050887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.050887 (E_RNA)
where:
Base-Base interactions energy: -187.867
where: short stacking energy: -78.181
Base-Backbone interact. energy: -0.030
local terms energy: -92.154435
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -22.430
flat angles P-C4'-P energy: -17.228
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: 7, replica: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -186.827208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.827208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.827208 (E_RNA)
where:
Base-Base interactions energy: -110.433
where: short stacking energy: -55.772
Base-Backbone interact. energy: -1.404
local terms energy: -74.989857
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -21.759
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -12.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -134.284155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.284155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.284155 (E_RNA)
where:
Base-Base interactions energy: -58.847
where: short stacking energy: -45.544
Base-Backbone interact. energy: -0.464
local terms energy: -74.973001
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -20.043
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -9.121
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: 350
Temperature: 1.300000
Total energy: -110.449462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.449462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.449462 (E_RNA)
where:
Base-Base interactions energy: -31.574
where: short stacking energy: -32.174
Base-Backbone interact. energy: -0.241
local terms energy: -78.634809
where:
bonds (distance) C4'-P energy: -20.315
bonds (distance) P-C4' energy: -22.980
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -5.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -112.282092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.282092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.282092 (E_RNA)
where:
Base-Base interactions energy: -51.956
where: short stacking energy: -35.262
Base-Backbone interact. energy: -0.066
local terms energy: -60.260013
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: 1.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -329.673205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.673205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.673205 (E_RNA)
where:
Base-Base interactions energy: -226.161
where: short stacking energy: -99.585
Base-Backbone interact. energy: -0.092
local terms energy: -103.420160
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -22.821
flat angles C4'-P-C4' energy: -23.014
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -27.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -330.917641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.917641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.917641 (E_RNA)
where:
Base-Base interactions energy: -229.019
where: short stacking energy: -100.201
Base-Backbone interact. energy: -0.801
local terms energy: -101.097762
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -20.303
flat angles C4'-P-C4' energy: -21.417
flat angles P-C4'-P energy: -15.657
tors. eta vs tors. theta energy: -26.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -313.747299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.747299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.747299 (E_RNA)
where:
Base-Base interactions energy: -211.963
where: short stacking energy: -89.952
Base-Backbone interact. energy: -0.226
local terms energy: -101.558010
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -26.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -309.044455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.044455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.044455 (E_RNA)
where:
Base-Base interactions energy: -203.333
where: short stacking energy: -81.895
Base-Backbone interact. energy: -0.668
local terms energy: -105.043724
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -18.941
flat angles C4'-P-C4' energy: -22.802
flat angles P-C4'-P energy: -17.279
tors. eta vs tors. theta energy: -28.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -245.210145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.210145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.210145 (E_RNA)
where:
Base-Base interactions energy: -166.524
where: short stacking energy: -69.558
Base-Backbone interact. energy: -0.644
local terms energy: -78.042359
where:
bonds (distance) C4'-P energy: -19.987
bonds (distance) P-C4' energy: -20.484
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -15.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -268.427239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.427239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.427239 (E_RNA)
where:
Base-Base interactions energy: -187.233
where: short stacking energy: -85.987
Base-Backbone interact. energy: -0.020
local terms energy: -81.174878
where:
bonds (distance) C4'-P energy: -19.396
bonds (distance) P-C4' energy: -16.947
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -20.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -178.090821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.090821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.090821 (E_RNA)
where:
Base-Base interactions energy: -110.521
where: short stacking energy: -47.762
Base-Backbone interact. energy: -0.124
local terms energy: -67.446237
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -9.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -112.339614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.339614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.339614 (E_RNA)
where:
Base-Base interactions energy: -46.029
where: short stacking energy: -33.103
Base-Backbone interact. energy: -0.698
local terms energy: -65.612065
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -19.598
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -15.238
tors. eta vs tors. theta energy: -2.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -109.145820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.145820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.145820 (E_RNA)
where:
Base-Base interactions energy: -39.102
where: short stacking energy: -39.102
Base-Backbone interact. energy: 0.025
local terms energy: -70.068372
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -23.092
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -3.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -89.049718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.049718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.049718 (E_RNA)
where:
Base-Base interactions energy: -32.129
where: short stacking energy: -28.460
Base-Backbone interact. energy: -0.233
local terms energy: -56.687521
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -2.982
tors. eta vs tors. theta energy: -2.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -325.223758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.223758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.223758 (E_RNA)
where:
Base-Base interactions energy: -214.572
where: short stacking energy: -89.510
Base-Backbone interact. energy: -0.947
local terms energy: -109.705332
where:
bonds (distance) C4'-P energy: -20.159
bonds (distance) P-C4' energy: -23.028
flat angles C4'-P-C4' energy: -24.571
flat angles P-C4'-P energy: -16.029
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: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -322.739291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.739291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.739291 (E_RNA)
where:
Base-Base interactions energy: -218.247
where: short stacking energy: -91.065
Base-Backbone interact. energy: -0.377
local terms energy: -104.115926
where:
bonds (distance) C4'-P energy: -22.981
bonds (distance) P-C4' energy: -21.927
flat angles C4'-P-C4' energy: -20.347
flat angles P-C4'-P energy: -15.832
tors. eta vs tors. theta energy: -23.029
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: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -318.266684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.266684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.266684 (E_RNA)
where:
Base-Base interactions energy: -220.242
where: short stacking energy: -94.501
Base-Backbone interact. energy: -0.079
local terms energy: -97.945422
where:
bonds (distance) C4'-P energy: -20.995
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -19.686
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -28.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -306.131909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.131909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.131909 (E_RNA)
where:
Base-Base interactions energy: -212.079
where: short stacking energy: -84.836
Base-Backbone interact. energy: -0.113
local terms energy: -93.939895
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -20.191
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -26.271
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: 6
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -276.084255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.084255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.084255 (E_RNA)
where:
Base-Base interactions energy: -180.506
where: short stacking energy: -74.154
Base-Backbone interact. energy: -0.249
local terms energy: -95.329322
where:
bonds (distance) C4'-P energy: -21.867
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -23.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -266.486457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.486457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.486457 (E_RNA)
where:
Base-Base interactions energy: -180.692
where: short stacking energy: -68.852
Base-Backbone interact. energy: -0.051
local terms energy: -85.743770
where:
bonds (distance) C4'-P energy: -21.178
bonds (distance) P-C4' energy: -21.657
flat angles C4'-P-C4' energy: -20.200
flat angles P-C4'-P energy: -2.671
tors. eta vs tors. theta energy: -20.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -203.842152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.842152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.842152 (E_RNA)
where:
Base-Base interactions energy: -130.320
where: short stacking energy: -63.495
Base-Backbone interact. energy: -0.398
local terms energy: -73.123939
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -13.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -111.773240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.773240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.773240 (E_RNA)
where:
Base-Base interactions energy: -46.498
where: short stacking energy: -42.766
Base-Backbone interact. energy: 1.003
local terms energy: -66.279134
where:
bonds (distance) C4'-P energy: -21.545
bonds (distance) P-C4' energy: -18.099
flat angles C4'-P-C4' energy: -18.614
flat angles P-C4'-P energy: -5.709
tors. eta vs tors. theta energy: -2.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -125.733629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.733629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.733629 (E_RNA)
where:
Base-Base interactions energy: -61.688
where: short stacking energy: -36.826
Base-Backbone interact. energy: 0.243
local terms energy: -64.288469
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -22.135
flat angles C4'-P-C4' energy: -18.068
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: 1.473
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: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -97.275335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.275335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.275335 (E_RNA)
where:
Base-Base interactions energy: -42.359
where: short stacking energy: -34.804
Base-Backbone interact. energy: -0.131
local terms energy: -54.786200
where:
bonds (distance) C4'-P energy: -21.627
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -7.585
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -2.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -328.430453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.430453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.430453 (E_RNA)
where:
Base-Base interactions energy: -225.384
where: short stacking energy: -96.220
Base-Backbone interact. energy: -0.265
local terms energy: -102.781169
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -30.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -325.609500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.609500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.609500 (E_RNA)
where:
Base-Base interactions energy: -227.287
where: short stacking energy: -102.182
Base-Backbone interact. energy: -0.065
local terms energy: -98.258221
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -19.223
flat angles C4'-P-C4' energy: -20.379
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -27.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -316.573346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.573346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.573346 (E_RNA)
where:
Base-Base interactions energy: -222.620
where: short stacking energy: -94.717
Base-Backbone interact. energy: -0.054
local terms energy: -93.899347
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -25.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -290.657526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.657526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.657526 (E_RNA)
where:
Base-Base interactions energy: -192.948
where: short stacking energy: -86.983
Base-Backbone interact. energy: -0.723
local terms energy: -96.986611
where:
bonds (distance) C4'-P energy: -20.307
bonds (distance) P-C4' energy: -18.983
flat angles C4'-P-C4' energy: -21.536
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -22.983
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: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -305.519736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.519736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.519736 (E_RNA)
where:
Base-Base interactions energy: -210.282
where: short stacking energy: -75.537
Base-Backbone interact. energy: -0.734
local terms energy: -94.502938
where:
bonds (distance) C4'-P energy: -19.710
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -20.947
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -20.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -260.756240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.756240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.756240 (E_RNA)
where:
Base-Base interactions energy: -177.908
where: short stacking energy: -71.208
Base-Backbone interact. energy: -0.111
local terms energy: -82.737193
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -19.857
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -18.364
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: 7, replica: 1
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -180.777890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.777890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.777890 (E_RNA)
where:
Base-Base interactions energy: -109.760
where: short stacking energy: -57.020
Base-Backbone interact. energy: 0.354
local terms energy: -71.372256
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -20.442
flat angles C4'-P-C4' energy: -20.923
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -7.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -157.253523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.253523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.253523 (E_RNA)
where:
Base-Base interactions energy: -82.161
where: short stacking energy: -43.522
Base-Backbone interact. energy: -0.447
local terms energy: -74.645345
where:
bonds (distance) C4'-P energy: -20.678
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -103.039554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.039554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.039554 (E_RNA)
where:
Base-Base interactions energy: -37.222
where: short stacking energy: -31.726
Base-Backbone interact. energy: -0.045
local terms energy: -65.771936
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -21.578
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -1.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -106.893361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.893361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.893361 (E_RNA)
where:
Base-Base interactions energy: -54.011
where: short stacking energy: -31.568
Base-Backbone interact. energy: -0.790
local terms energy: -52.092577
where:
bonds (distance) C4'-P energy: -19.830
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: 3.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -330.015306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.015306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.015306 (E_RNA)
where:
Base-Base interactions energy: -220.064
where: short stacking energy: -97.917
Base-Backbone interact. energy: -0.114
local terms energy: -109.837906
where:
bonds (distance) C4'-P energy: -22.014
bonds (distance) P-C4' energy: -23.794
flat angles C4'-P-C4' energy: -19.524
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -28.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -320.266575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.266575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.266575 (E_RNA)
where:
Base-Base interactions energy: -211.019
where: short stacking energy: -88.938
Base-Backbone interact. energy: -0.105
local terms energy: -109.142166
where:
bonds (distance) C4'-P energy: -23.515
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -23.139
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -26.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -319.301140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.301140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.301140 (E_RNA)
where:
Base-Base interactions energy: -218.914
where: short stacking energy: -92.665
Base-Backbone interact. energy: -0.140
local terms energy: -100.246973
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -21.288
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -27.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -288.040790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.040790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.040790 (E_RNA)
where:
Base-Base interactions energy: -197.053
where: short stacking energy: -88.412
Base-Backbone interact. energy: -0.018
local terms energy: -90.970422
where:
bonds (distance) C4'-P energy: -20.258
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -22.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -304.682362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.682362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.682362 (E_RNA)
where:
Base-Base interactions energy: -204.507
where: short stacking energy: -92.523
Base-Backbone interact. energy: -0.124
local terms energy: -100.051967
where:
bonds (distance) C4'-P energy: -22.554
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -21.460
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -27.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -237.532451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.532451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.532451 (E_RNA)
where:
Base-Base interactions energy: -165.471
where: short stacking energy: -74.371
Base-Backbone interact. energy: -0.758
local terms energy: -71.303194
where:
bonds (distance) C4'-P energy: -20.216
bonds (distance) P-C4' energy: -8.295
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -14.898
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: 8
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -166.315645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.315645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.315645 (E_RNA)
where:
Base-Base interactions energy: -94.286
where: short stacking energy: -41.636
Base-Backbone interact. energy: -0.500
local terms energy: -71.529235
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -21.329
flat angles C4'-P-C4' energy: -19.763
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -3.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -175.173247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.173247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.173247 (E_RNA)
where:
Base-Base interactions energy: -101.757
where: short stacking energy: -46.502
Base-Backbone interact. energy: -0.347
local terms energy: -73.069726
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -7.631
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: 10
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -184.795881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.795881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.795881 (E_RNA)
where:
Base-Base interactions energy: -106.200
where: short stacking energy: -58.337
Base-Backbone interact. energy: 1.214
local terms energy: -79.810232
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -101.405214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.405214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.405214 (E_RNA)
where:
Base-Base interactions energy: -45.913
where: short stacking energy: -28.301
Base-Backbone interact. energy: -0.184
local terms energy: -55.308894
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -0.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -326.536809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.536809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.536809 (E_RNA)
where:
Base-Base interactions energy: -225.703
where: short stacking energy: -104.323
Base-Backbone interact. energy: -0.290
local terms energy: -100.543358
where:
bonds (distance) C4'-P energy: -19.744
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -19.837
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -31.309
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: 355
Temperature: 0.950000
Total energy: -331.731181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.731181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.731181 (E_RNA)
where:
Base-Base interactions energy: -225.484
where: short stacking energy: -95.683
Base-Backbone interact. energy: -0.163
local terms energy: -106.084234
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -23.856
flat angles C4'-P-C4' energy: -22.922
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -29.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -315.479896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.479896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.479896 (E_RNA)
where:
Base-Base interactions energy: -213.152
where: short stacking energy: -90.657
Base-Backbone interact. energy: -0.148
local terms energy: -102.179385
where:
bonds (distance) C4'-P energy: -19.843
bonds (distance) P-C4' energy: -18.999
flat angles C4'-P-C4' energy: -21.578
flat angles P-C4'-P energy: -16.248
tors. eta vs tors. theta energy: -25.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -321.960193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.960193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.960193 (E_RNA)
where:
Base-Base interactions energy: -222.161
where: short stacking energy: -98.263
Base-Backbone interact. energy: -0.100
local terms energy: -99.698624
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -20.759
flat angles C4'-P-C4' energy: -21.444
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -30.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -285.074861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.074861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.074861 (E_RNA)
where:
Base-Base interactions energy: -192.526
where: short stacking energy: -79.832
Base-Backbone interact. energy: -0.173
local terms energy: -92.376517
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -17.996
flat angles C4'-P-C4' energy: -18.362
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -21.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -268.003473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.003473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.003473 (E_RNA)
where:
Base-Base interactions energy: -180.444
where: short stacking energy: -71.407
Base-Backbone interact. energy: 1.068
local terms energy: -88.627426
where:
bonds (distance) C4'-P energy: -20.804
bonds (distance) P-C4' energy: -20.072
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -26.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -145.692579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.692579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.692579 (E_RNA)
where:
Base-Base interactions energy: -78.529
where: short stacking energy: -46.307
Base-Backbone interact. energy: -1.005
local terms energy: -66.158473
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -11.683
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: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -201.189727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.189727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.189727 (E_RNA)
where:
Base-Base interactions energy: -120.218
where: short stacking energy: -55.458
Base-Backbone interact. energy: 0.423
local terms energy: -81.394411
where:
bonds (distance) C4'-P energy: -17.818
bonds (distance) P-C4' energy: -20.549
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -9.344
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: 9, replica: 1
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -181.502620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.502620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.502620 (E_RNA)
where:
Base-Base interactions energy: -116.328
where: short stacking energy: -55.489
Base-Backbone interact. energy: -0.437
local terms energy: -64.737637
where:
bonds (distance) C4'-P energy: -9.307
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -8.815
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: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -100.082453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.082453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.082453 (E_RNA)
where:
Base-Base interactions energy: -39.962
where: short stacking energy: -35.324
Base-Backbone interact. energy: 0.307
local terms energy: -60.426731
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -9.198
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: 1, replica: 9
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -323.488771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.488771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.488771 (E_RNA)
where:
Base-Base interactions energy: -220.987
where: short stacking energy: -90.778
Base-Backbone interact. energy: -0.108
local terms energy: -102.393591
where:
bonds (distance) C4'-P energy: -19.250
bonds (distance) P-C4' energy: -24.657
flat angles C4'-P-C4' energy: -23.501
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -22.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -319.606538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.606538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.606538 (E_RNA)
where:
Base-Base interactions energy: -213.338
where: short stacking energy: -99.026
Base-Backbone interact. energy: 1.007
local terms energy: -107.275433
where:
bonds (distance) C4'-P energy: -19.911
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -22.322
flat angles P-C4'-P energy: -18.440
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: 3, replica: 2
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -321.742864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.742864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.742864 (E_RNA)
where:
Base-Base interactions energy: -223.493
where: short stacking energy: -99.755
Base-Backbone interact. energy: 0.212
local terms energy: -98.461156
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -22.734
flat angles C4'-P-C4' energy: -20.886
flat angles P-C4'-P energy: -15.976
tors. eta vs tors. theta energy: -28.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -312.481607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.481607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.481607 (E_RNA)
where:
Base-Base interactions energy: -212.887
where: short stacking energy: -83.061
Base-Backbone interact. energy: -0.394
local terms energy: -99.200482
where:
bonds (distance) C4'-P energy: -19.830
bonds (distance) P-C4' energy: -19.311
flat angles C4'-P-C4' energy: -21.048
flat angles P-C4'-P energy: -16.278
tors. eta vs tors. theta energy: -22.733
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: 4
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -276.134792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.134792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.134792 (E_RNA)
where:
Base-Base interactions energy: -189.564
where: short stacking energy: -82.899
Base-Backbone interact. energy: -0.028
local terms energy: -86.542722
where:
bonds (distance) C4'-P energy: -18.617
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -22.148
flat angles P-C4'-P energy: -5.773
tors. eta vs tors. theta energy: -20.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -261.255278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.255278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.255278 (E_RNA)
where:
Base-Base interactions energy: -173.805
where: short stacking energy: -78.333
Base-Backbone interact. energy: -0.123
local terms energy: -87.326803
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -19.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -144.907519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.907519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.907519 (E_RNA)
where:
Base-Base interactions energy: -78.559
where: short stacking energy: -38.802
Base-Backbone interact. energy: -0.104
local terms energy: -66.243824
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -16.256
tors. eta vs tors. theta energy: -0.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -141.448792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.448792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.448792 (E_RNA)
where:
Base-Base interactions energy: -73.261
where: short stacking energy: -43.345
Base-Backbone interact. energy: -0.304
local terms energy: -67.883334
where:
bonds (distance) C4'-P energy: -21.710
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -7.586
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: 9, replica: 1
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -197.274494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.274494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.274494 (E_RNA)
where:
Base-Base interactions energy: -116.347
where: short stacking energy: -56.991
Base-Backbone interact. energy: -0.012
local terms energy: -80.915989
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -18.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -108.120177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.120177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.120177 (E_RNA)
where:
Base-Base interactions energy: -47.548
where: short stacking energy: -27.165
Base-Backbone interact. energy: -0.255
local terms energy: -60.317299
where:
bonds (distance) C4'-P energy: -21.118
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: 1.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -332.615933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.615933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.615933 (E_RNA)
where:
Base-Base interactions energy: -229.054
where: short stacking energy: -98.396
Base-Backbone interact. energy: 0.379
local terms energy: -103.941520
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -20.741
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -31.672
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: 2, replica: 7
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -325.821321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.821321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.821321 (E_RNA)
where:
Base-Base interactions energy: -219.974
where: short stacking energy: -89.111
Base-Backbone interact. energy: 0.020
local terms energy: -105.867664
where:
bonds (distance) C4'-P energy: -21.987
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -21.172
flat angles P-C4'-P energy: -16.854
tors. eta vs tors. theta energy: -26.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -313.944554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.944554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.944554 (E_RNA)
where:
Base-Base interactions energy: -215.023
where: short stacking energy: -84.852
Base-Backbone interact. energy: -0.190
local terms energy: -98.731449
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -22.206
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -25.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -285.569065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.569065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.569065 (E_RNA)
where:
Base-Base interactions energy: -197.999
where: short stacking energy: -79.365
Base-Backbone interact. energy: -0.469
local terms energy: -87.101510
where:
bonds (distance) C4'-P energy: -21.960
bonds (distance) P-C4' energy: -17.740
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -20.260
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: 5, replica: 5
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -302.028981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.028981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.028981 (E_RNA)
where:
Base-Base interactions energy: -206.224
where: short stacking energy: -86.661
Base-Backbone interact. energy: -0.171
local terms energy: -95.634161
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -24.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -267.065562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.065562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.065562 (E_RNA)
where:
Base-Base interactions energy: -181.243
where: short stacking energy: -70.856
Base-Backbone interact. energy: 1.074
local terms energy: -86.897217
where:
bonds (distance) C4'-P energy: -17.496
bonds (distance) P-C4' energy: -18.209
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -16.230
tors. eta vs tors. theta energy: -16.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -121.670974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.670974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.670974 (E_RNA)
where:
Base-Base interactions energy: -53.948
where: short stacking energy: -41.660
Base-Backbone interact. energy: -0.118
local terms energy: -67.604697
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -20.812
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -153.718277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.718277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.718277 (E_RNA)
where:
Base-Base interactions energy: -86.243
where: short stacking energy: -46.709
Base-Backbone interact. energy: -0.328
local terms energy: -67.147505
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -20.557
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -9.302
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: 8
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -115.472827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.472827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.472827 (E_RNA)
where:
Base-Base interactions energy: -53.306
where: short stacking energy: -34.208
Base-Backbone interact. energy: -0.285
local terms energy: -61.882480
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -105.652187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.652187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.652187 (E_RNA)
where:
Base-Base interactions energy: -39.157
where: short stacking energy: -28.581
Base-Backbone interact. energy: 0.649
local terms energy: -67.143835
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -3.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -334.965670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.965670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.965670 (E_RNA)
where:
Base-Base interactions energy: -227.502
where: short stacking energy: -101.306
Base-Backbone interact. energy: 0.063
local terms energy: -107.526359
where:
bonds (distance) C4'-P energy: -19.748
bonds (distance) P-C4' energy: -20.955
flat angles C4'-P-C4' energy: -23.008
flat angles P-C4'-P energy: -16.799
tors. eta vs tors. theta energy: -27.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -322.290557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.290557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.290557 (E_RNA)
where:
Base-Base interactions energy: -215.797
where: short stacking energy: -94.803
Base-Backbone interact. energy: -0.470
local terms energy: -106.023464
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -22.997
flat angles C4'-P-C4' energy: -22.151
flat angles P-C4'-P energy: -16.750
tors. eta vs tors. theta energy: -26.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -317.834597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.834597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.834597 (E_RNA)
where:
Base-Base interactions energy: -215.285
where: short stacking energy: -95.886
Base-Backbone interact. energy: 0.097
local terms energy: -102.646008
where:
bonds (distance) C4'-P energy: -21.041
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: -24.018
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -23.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -277.978105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.978105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.978105 (E_RNA)
where:
Base-Base interactions energy: -185.550
where: short stacking energy: -75.566
Base-Backbone interact. energy: -0.319
local terms energy: -92.109020
where:
bonds (distance) C4'-P energy: -20.343
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -22.227
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -273.281631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.281631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.281631 (E_RNA)
where:
Base-Base interactions energy: -185.642
where: short stacking energy: -74.017
Base-Backbone interact. energy: -0.213
local terms energy: -87.426183
where:
bonds (distance) C4'-P energy: -19.162
bonds (distance) P-C4' energy: -20.807
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -24.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -301.339298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.339298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.339298 (E_RNA)
where:
Base-Base interactions energy: -208.153
where: short stacking energy: -87.671
Base-Backbone interact. energy: -1.233
local terms energy: -91.952728
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -25.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -179.962823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.962823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.962823 (E_RNA)
where:
Base-Base interactions energy: -110.118
where: short stacking energy: -53.584
Base-Backbone interact. energy: -0.214
local terms energy: -69.631037
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -10.474
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: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -122.628426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.628426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.628426 (E_RNA)
where:
Base-Base interactions energy: -58.895
where: short stacking energy: -33.892
Base-Backbone interact. energy: 0.060
local terms energy: -63.793933
where:
bonds (distance) C4'-P energy: -10.072
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -22.561
flat angles P-C4'-P energy: -11.913
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: 9, replica: 8
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -129.493992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.493992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.493992 (E_RNA)
where:
Base-Base interactions energy: -73.594
where: short stacking energy: -34.130
Base-Backbone interact. energy: -0.077
local terms energy: -55.822870
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -7.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -111.113720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.113720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.113720 (E_RNA)
where:
Base-Base interactions energy: -42.678
where: short stacking energy: -31.918
Base-Backbone interact. energy: -0.026
local terms energy: -68.409462
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -18.352
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -327.018938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.018938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.018938 (E_RNA)
where:
Base-Base interactions energy: -220.353
where: short stacking energy: -95.770
Base-Backbone interact. energy: -0.105
local terms energy: -106.560515
where:
bonds (distance) C4'-P energy: -20.349
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -22.590
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -26.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -322.041866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.041866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.041866 (E_RNA)
where:
Base-Base interactions energy: -222.533
where: short stacking energy: -95.715
Base-Backbone interact. energy: -0.414
local terms energy: -99.094125
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -20.212
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -31.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -320.230740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.230740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.230740 (E_RNA)
where:
Base-Base interactions energy: -215.595
where: short stacking energy: -88.629
Base-Backbone interact. energy: -0.225
local terms energy: -104.410436
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -21.069
flat angles C4'-P-C4' energy: -24.502
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -28.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -275.723623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.723623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.723623 (E_RNA)
where:
Base-Base interactions energy: -196.251
where: short stacking energy: -79.082
Base-Backbone interact. energy: -0.343
local terms energy: -79.129411
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -21.832
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -20.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -270.007349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.007349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.007349 (E_RNA)
where:
Base-Base interactions energy: -186.709
where: short stacking energy: -74.716
Base-Backbone interact. energy: 0.954
local terms energy: -84.252257
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -23.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -296.815593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.815593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.815593 (E_RNA)
where:
Base-Base interactions energy: -205.244
where: short stacking energy: -77.438
Base-Backbone interact. energy: -0.341
local terms energy: -91.231020
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -18.536
tors. eta vs tors. theta energy: -22.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -209.223971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.223971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.223971 (E_RNA)
where:
Base-Base interactions energy: -129.491
where: short stacking energy: -49.231
Base-Backbone interact. energy: -1.662
local terms energy: -78.071688
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -19.571
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -12.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -142.097419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.097419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.097419 (E_RNA)
where:
Base-Base interactions energy: -70.254
where: short stacking energy: -33.525
Base-Backbone interact. energy: -0.242
local terms energy: -71.601187
where:
bonds (distance) C4'-P energy: -21.292
bonds (distance) P-C4' energy: -18.903
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: 2.429
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: 8
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -106.676402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.676402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.676402 (E_RNA)
where:
Base-Base interactions energy: -47.358
where: short stacking energy: -36.817
Base-Backbone interact. energy: -1.031
local terms energy: -58.287292
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -13.674
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: 1.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -108.093081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.093081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.093081 (E_RNA)
where:
Base-Base interactions energy: -54.464
where: short stacking energy: -24.630
Base-Backbone interact. energy: -0.163
local terms energy: -53.466223
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -11.650
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: 1, replica: 9
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -332.303800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.303800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.303800 (E_RNA)
where:
Base-Base interactions energy: -234.952
where: short stacking energy: -91.360
Base-Backbone interact. energy: -0.296
local terms energy: -97.055492
where:
bonds (distance) C4'-P energy: -19.672
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -21.635
flat angles P-C4'-P energy: -12.026
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: 360
Temperature: 0.950000
Total energy: -324.254018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.254018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.254018 (E_RNA)
where:
Base-Base interactions energy: -218.434
where: short stacking energy: -89.726
Base-Backbone interact. energy: 0.369
local terms energy: -106.188875
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -22.615
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -26.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -324.318444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.318444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.318444 (E_RNA)
where:
Base-Base interactions energy: -222.989
where: short stacking energy: -90.993
Base-Backbone interact. energy: 1.669
local terms energy: -102.998825
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -21.833
flat angles C4'-P-C4' energy: -22.331
flat angles P-C4'-P energy: -14.682
tors. eta vs tors. theta energy: -26.869
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: 6
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -279.429892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.429892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.429892 (E_RNA)
where:
Base-Base interactions energy: -189.750
where: short stacking energy: -79.493
Base-Backbone interact. energy: -1.356
local terms energy: -88.323179
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -21.036
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -23.386
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: 5
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -311.942886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.942886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.942886 (E_RNA)
where:
Base-Base interactions energy: -213.766
where: short stacking energy: -92.542
Base-Backbone interact. energy: -0.176
local terms energy: -98.001622
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -20.017
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -14.766
tors. eta vs tors. theta energy: -26.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -263.187492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.187492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.187492 (E_RNA)
where:
Base-Base interactions energy: -169.853
where: short stacking energy: -73.833
Base-Backbone interact. energy: -0.801
local terms energy: -92.533786
where:
bonds (distance) C4'-P energy: -19.989
bonds (distance) P-C4' energy: -22.297
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -21.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -197.516907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.516907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.516907 (E_RNA)
where:
Base-Base interactions energy: -121.974
where: short stacking energy: -62.806
Base-Backbone interact. energy: -0.966
local terms energy: -74.577031
where:
bonds (distance) C4'-P energy: -7.845
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -20.048
flat angles P-C4'-P energy: -15.711
tors. eta vs tors. theta energy: -13.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -137.369086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.369086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.369086 (E_RNA)
where:
Base-Base interactions energy: -74.403
where: short stacking energy: -45.108
Base-Backbone interact. energy: -0.447
local terms energy: -62.518624
where:
bonds (distance) C4'-P energy: -10.966
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -18.172
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -5.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -132.647246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.647246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.647246 (E_RNA)
where:
Base-Base interactions energy: -57.594
where: short stacking energy: -44.399
Base-Backbone interact. energy: 1.222
local terms energy: -76.275164
where:
bonds (distance) C4'-P energy: -19.311
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -7.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -124.440193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.440193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.440193 (E_RNA)
where:
Base-Base interactions energy: -60.616
where: short stacking energy: -39.824
Base-Backbone interact. energy: 5.092
local terms energy: -68.916351
where:
bonds (distance) C4'-P energy: -18.961
bonds (distance) P-C4' energy: -19.459
flat angles C4'-P-C4' energy: -9.815
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -6.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -331.963919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.963919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.963919 (E_RNA)
where:
Base-Base interactions energy: -230.494
where: short stacking energy: -98.436
Base-Backbone interact. energy: -0.251
local terms energy: -101.218772
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -23.651
flat angles C4'-P-C4' energy: -24.933
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -26.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -330.962167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.962167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.962167 (E_RNA)
where:
Base-Base interactions energy: -231.386
where: short stacking energy: -93.408
Base-Backbone interact. energy: -0.091
local terms energy: -99.485363
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -24.318
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -26.379
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: 7
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -334.283056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.283056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.283056 (E_RNA)
where:
Base-Base interactions energy: -231.865
where: short stacking energy: -100.087
Base-Backbone interact. energy: -0.098
local terms energy: -102.319698
where:
bonds (distance) C4'-P energy: -23.751
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -27.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -312.706074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.706074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.706074 (E_RNA)
where:
Base-Base interactions energy: -206.665
where: short stacking energy: -86.715
Base-Backbone interact. energy: -0.439
local terms energy: -105.601932
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -22.533
flat angles C4'-P-C4' energy: -22.245
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -28.895
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: 5, replica: 6
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -279.114884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.114884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.114884 (E_RNA)
where:
Base-Base interactions energy: -194.905
where: short stacking energy: -82.529
Base-Backbone interact. energy: 0.047
local terms energy: -84.256533
where:
bonds (distance) C4'-P energy: -19.374
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -24.189
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: 6, replica: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -267.281912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.281912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.281912 (E_RNA)
where:
Base-Base interactions energy: -186.690
where: short stacking energy: -65.677
Base-Backbone interact. energy: -0.639
local terms energy: -79.952871
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -20.978
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -11.026
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: 7, replica: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -179.076154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.076154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.076154 (E_RNA)
where:
Base-Base interactions energy: -106.135
where: short stacking energy: -60.897
Base-Backbone interact. energy: 0.052
local terms energy: -72.993661
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: -12.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -120.058134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.058134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.058134 (E_RNA)
where:
Base-Base interactions energy: -54.185
where: short stacking energy: -38.484
Base-Backbone interact. energy: -0.257
local terms energy: -65.615949
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -1.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -108.890143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.890143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.890143 (E_RNA)
where:
Base-Base interactions energy: -45.361
where: short stacking energy: -25.647
Base-Backbone interact. energy: -0.072
local terms energy: -63.457907
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -18.406
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -2.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -97.406402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.406402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.406402 (E_RNA)
where:
Base-Base interactions energy: -39.458
where: short stacking energy: -35.334
Base-Backbone interact. energy: 0.254
local terms energy: -58.202923
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -6.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -329.860656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.860656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.860656 (E_RNA)
where:
Base-Base interactions energy: -220.673
where: short stacking energy: -94.413
Base-Backbone interact. energy: -0.045
local terms energy: -109.143375
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -25.474
flat angles P-C4'-P energy: -17.813
tors. eta vs tors. theta energy: -28.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -325.644662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.644662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.644662 (E_RNA)
where:
Base-Base interactions energy: -217.974
where: short stacking energy: -93.610
Base-Backbone interact. energy: -0.181
local terms energy: -107.489425
where:
bonds (distance) C4'-P energy: -21.014
bonds (distance) P-C4' energy: -20.038
flat angles C4'-P-C4' energy: -23.152
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -29.411
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: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -301.269146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.269146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.269146 (E_RNA)
where:
Base-Base interactions energy: -209.767
where: short stacking energy: -91.860
Base-Backbone interact. energy: -0.347
local terms energy: -91.155174
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -18.483
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -26.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -324.575678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.575678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.575678 (E_RNA)
where:
Base-Base interactions energy: -222.861
where: short stacking energy: -99.385
Base-Backbone interact. energy: -0.105
local terms energy: -101.608985
where:
bonds (distance) C4'-P energy: -20.675
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -21.836
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -24.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -255.627086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.627086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.627086 (E_RNA)
where:
Base-Base interactions energy: -169.920
where: short stacking energy: -84.557
Base-Backbone interact. energy: -0.013
local terms energy: -85.694271
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -10.660
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: 6, replica: 4
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -279.088996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.088996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.088996 (E_RNA)
where:
Base-Base interactions energy: -205.456
where: short stacking energy: -80.176
Base-Backbone interact. energy: -0.174
local terms energy: -73.459560
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -16.609
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -173.718512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.718512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.718512 (E_RNA)
where:
Base-Base interactions energy: -99.183
where: short stacking energy: -52.923
Base-Backbone interact. energy: -0.342
local terms energy: -74.193724
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -12.195
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: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -109.168566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.168566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.168566 (E_RNA)
where:
Base-Base interactions energy: -38.852
where: short stacking energy: -38.576
Base-Backbone interact. energy: -0.208
local terms energy: -70.109057
where:
bonds (distance) C4'-P energy: -18.605
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -20.082
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -5.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -108.259972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.259972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.259972 (E_RNA)
where:
Base-Base interactions energy: -42.614
where: short stacking energy: -40.306
Base-Backbone interact. energy: -0.299
local terms energy: -65.347345
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -8.699
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: 10, replica: 8
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -122.404000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.404000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.404000 (E_RNA)
where:
Base-Base interactions energy: -54.730
where: short stacking energy: -39.374
Base-Backbone interact. energy: 1.128
local terms energy: -68.802194
where:
bonds (distance) C4'-P energy: -18.199
bonds (distance) P-C4' energy: -21.646
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -8.395
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: 1, replica: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -328.336936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.336936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.336936 (E_RNA)
where:
Base-Base interactions energy: -215.621
where: short stacking energy: -96.751
Base-Backbone interact. energy: 0.448
local terms energy: -113.164495
where:
bonds (distance) C4'-P energy: -20.414
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -25.706
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -27.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -316.938449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.938449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.938449 (E_RNA)
where:
Base-Base interactions energy: -213.232
where: short stacking energy: -97.992
Base-Backbone interact. energy: -0.218
local terms energy: -103.488637
where:
bonds (distance) C4'-P energy: -19.933
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -22.226
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -26.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -327.938518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.938518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.938518 (E_RNA)
where:
Base-Base interactions energy: -226.374
where: short stacking energy: -99.995
Base-Backbone interact. energy: 0.356
local terms energy: -101.920142
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -22.352
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -16.939
tors. eta vs tors. theta energy: -28.300
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: 4, replica: 6
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -275.850135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.850135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.850135 (E_RNA)
where:
Base-Base interactions energy: -190.642
where: short stacking energy: -79.743
Base-Backbone interact. energy: -1.287
local terms energy: -83.921316
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -11.239
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: 7
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -307.401484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.401484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.401484 (E_RNA)
where:
Base-Base interactions energy: -208.084
where: short stacking energy: -80.736
Base-Backbone interact. energy: -0.163
local terms energy: -99.154693
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -20.315
flat angles P-C4'-P energy: -17.607
tors. eta vs tors. theta energy: -19.291
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: 363
Temperature: 1.150000
Total energy: -262.713164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.713164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.713164 (E_RNA)
where:
Base-Base interactions energy: -179.442
where: short stacking energy: -80.902
Base-Backbone interact. energy: -0.099
local terms energy: -83.171938
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -21.867
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -18.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -187.077776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.077776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.077776 (E_RNA)
where:
Base-Base interactions energy: -104.726
where: short stacking energy: -60.323
Base-Backbone interact. energy: -0.712
local terms energy: -81.639265
where:
bonds (distance) C4'-P energy: -24.074
bonds (distance) P-C4' energy: -20.721
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -10.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -109.651592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.651592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.651592 (E_RNA)
where:
Base-Base interactions energy: -34.845
where: short stacking energy: -31.025
Base-Backbone interact. energy: -0.757
local terms energy: -74.050204
where:
bonds (distance) C4'-P energy: -19.718
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -20.436
flat angles P-C4'-P energy: -12.749
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: 9, replica: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -115.033675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.033675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.033675 (E_RNA)
where:
Base-Base interactions energy: -55.259
where: short stacking energy: -43.647
Base-Backbone interact. energy: -0.296
local terms energy: -59.478216
where:
bonds (distance) C4'-P energy: -18.518
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -9.459
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -4.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -102.734553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.734553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.734553 (E_RNA)
where:
Base-Base interactions energy: -33.799
where: short stacking energy: -33.799
Base-Backbone interact. energy: -0.063
local terms energy: -68.872149
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -1.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -326.116097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.116097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.116097 (E_RNA)
where:
Base-Base interactions energy: -224.780
where: short stacking energy: -97.276
Base-Backbone interact. energy: 0.727
local terms energy: -102.062512
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -20.807
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -28.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -327.581046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.581046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.581046 (E_RNA)
where:
Base-Base interactions energy: -221.353
where: short stacking energy: -101.327
Base-Backbone interact. energy: -0.140
local terms energy: -106.087939
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -21.861
flat angles C4'-P-C4' energy: -21.965
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -29.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -322.322104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.322104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.322104 (E_RNA)
where:
Base-Base interactions energy: -218.708
where: short stacking energy: -87.657
Base-Backbone interact. energy: -0.189
local terms energy: -103.424568
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -23.623
flat angles C4'-P-C4' energy: -21.157
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -25.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -278.990138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.990138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.990138 (E_RNA)
where:
Base-Base interactions energy: -180.887
where: short stacking energy: -73.687
Base-Backbone interact. energy: -0.051
local terms energy: -98.051693
where:
bonds (distance) C4'-P energy: -20.388
bonds (distance) P-C4' energy: -23.346
flat angles C4'-P-C4' energy: -21.164
flat angles P-C4'-P energy: -11.436
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: 5, replica: 7
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -313.873249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.873249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.873249 (E_RNA)
where:
Base-Base interactions energy: -218.344
where: short stacking energy: -89.060
Base-Backbone interact. energy: -0.698
local terms energy: -94.831060
where:
bonds (distance) C4'-P energy: -19.365
bonds (distance) P-C4' energy: -15.207
flat angles C4'-P-C4' energy: -20.309
flat angles P-C4'-P energy: -15.513
tors. eta vs tors. theta energy: -24.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -260.740786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.740786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.740786 (E_RNA)
where:
Base-Base interactions energy: -172.303
where: short stacking energy: -74.074
Base-Backbone interact. energy: -0.562
local terms energy: -87.874924
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -15.862
tors. eta vs tors. theta energy: -17.651
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: 1
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -181.095580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.095580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.095580 (E_RNA)
where:
Base-Base interactions energy: -112.103
where: short stacking energy: -62.645
Base-Backbone interact. energy: -0.046
local terms energy: -68.947306
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -22.055
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -12.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -115.135112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.135112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.135112 (E_RNA)
where:
Base-Base interactions energy: -40.975
where: short stacking energy: -40.975
Base-Backbone interact. energy: 0.065
local terms energy: -74.225085
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -10.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -121.266438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.266438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.266438 (E_RNA)
where:
Base-Base interactions energy: -60.212
where: short stacking energy: -43.840
Base-Backbone interact. energy: -0.556
local terms energy: -60.498187
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -0.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -94.701451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.701451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.701451 (E_RNA)
where:
Base-Base interactions energy: -32.071
where: short stacking energy: -28.822
Base-Backbone interact. energy: 0.120
local terms energy: -62.750546
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: 0.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -329.368957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.368957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.368957 (E_RNA)
where:
Base-Base interactions energy: -222.897
where: short stacking energy: -94.511
Base-Backbone interact. energy: -1.569
local terms energy: -104.902490
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -23.854
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -31.748
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: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -335.810001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.810001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.810001 (E_RNA)
where:
Base-Base interactions energy: -228.801
where: short stacking energy: -89.082
Base-Backbone interact. energy: -0.371
local terms energy: -106.637920
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -19.476
flat angles C4'-P-C4' energy: -24.552
flat angles P-C4'-P energy: -14.569
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: 365
Temperature: 1.000000
Total energy: -308.709890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.709890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.709890 (E_RNA)
where:
Base-Base interactions energy: -212.061
where: short stacking energy: -83.514
Base-Backbone interact. energy: -0.328
local terms energy: -96.321646
where:
bonds (distance) C4'-P energy: -19.587
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -22.462
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -24.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -312.380832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.380832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.380832 (E_RNA)
where:
Base-Base interactions energy: -216.880
where: short stacking energy: -99.076
Base-Backbone interact. energy: -0.792
local terms energy: -94.708367
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -20.540
flat angles C4'-P-C4' energy: -20.093
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -29.763
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: 6
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -276.056228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.056228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.056228 (E_RNA)
where:
Base-Base interactions energy: -192.633
where: short stacking energy: -90.465
Base-Backbone interact. energy: 0.776
local terms energy: -84.199078
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -23.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -272.175612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.175612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.175612 (E_RNA)
where:
Base-Base interactions energy: -184.605
where: short stacking energy: -79.680
Base-Backbone interact. energy: -0.783
local terms energy: -86.787374
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -20.533
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -20.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -181.149315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.149315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.149315 (E_RNA)
where:
Base-Base interactions energy: -110.022
where: short stacking energy: -46.856
Base-Backbone interact. energy: -0.260
local terms energy: -70.866982
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -20.280
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -6.637
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: 3
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -119.221463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.221463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.221463 (E_RNA)
where:
Base-Base interactions energy: -50.688
where: short stacking energy: -50.688
Base-Backbone interact. energy: -0.128
local terms energy: -68.405030
where:
bonds (distance) C4'-P energy: -20.571
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -6.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -108.084294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.084294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.084294 (E_RNA)
where:
Base-Base interactions energy: -54.196
where: short stacking energy: -41.064
Base-Backbone interact. energy: 1.495
local terms energy: -55.382942
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -1.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -99.781716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.781716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.781716 (E_RNA)
where:
Base-Base interactions energy: -45.578
where: short stacking energy: -22.166
Base-Backbone interact. energy: -2.220
local terms energy: -51.983227
where:
bonds (distance) C4'-P energy: -21.114
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -11.545
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: 3.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -342.106154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.106154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.106154 (E_RNA)
where:
Base-Base interactions energy: -236.979
where: short stacking energy: -97.957
Base-Backbone interact. energy: -0.689
local terms energy: -104.437446
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -23.985
flat angles C4'-P-C4' energy: -21.660
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -25.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -327.590728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.590728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.590728 (E_RNA)
where:
Base-Base interactions energy: -220.909
where: short stacking energy: -95.111
Base-Backbone interact. energy: -0.660
local terms energy: -106.021749
where:
bonds (distance) C4'-P energy: -18.255
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -22.706
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -26.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -325.205670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.205670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.205670 (E_RNA)
where:
Base-Base interactions energy: -217.803
where: short stacking energy: -97.760
Base-Backbone interact. energy: -0.373
local terms energy: -107.030520
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -21.157
flat angles C4'-P-C4' energy: -20.378
flat angles P-C4'-P energy: -16.677
tors. eta vs tors. theta energy: -28.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -312.552777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.552777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.552777 (E_RNA)
where:
Base-Base interactions energy: -211.098
where: short stacking energy: -88.918
Base-Backbone interact. energy: -0.472
local terms energy: -100.982703
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -20.704
flat angles P-C4'-P energy: -14.677
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: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -265.718293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.718293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.718293 (E_RNA)
where:
Base-Base interactions energy: -185.904
where: short stacking energy: -74.718
Base-Backbone interact. energy: -0.141
local terms energy: -79.673574
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -20.363
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -16.020
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: 6, replica: 6
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -284.190685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.190685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.190685 (E_RNA)
where:
Base-Base interactions energy: -187.559
where: short stacking energy: -82.645
Base-Backbone interact. energy: -0.001
local terms energy: -96.630448
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -22.934
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: -19.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -172.717687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.717687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.717687 (E_RNA)
where:
Base-Base interactions energy: -97.930
where: short stacking energy: -54.491
Base-Backbone interact. energy: -0.154
local terms energy: -74.633434
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -20.029
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -12.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -116.922504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.922504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.922504 (E_RNA)
where:
Base-Base interactions energy: -54.067
where: short stacking energy: -36.449
Base-Backbone interact. energy: -0.075
local terms energy: -62.780788
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -3.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -111.466493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.466493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.466493 (E_RNA)
where:
Base-Base interactions energy: -47.446
where: short stacking energy: -46.383
Base-Backbone interact. energy: -0.011
local terms energy: -64.010137
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -5.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -101.518659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.518659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.518659 (E_RNA)
where:
Base-Base interactions energy: -41.116
where: short stacking energy: -36.106
Base-Backbone interact. energy: -0.254
local terms energy: -60.148910
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -3.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -334.684784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.684784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.684784 (E_RNA)
where:
Base-Base interactions energy: -239.781
where: short stacking energy: -93.242
Base-Backbone interact. energy: -0.091
local terms energy: -94.813208
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -22.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -323.007248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.007248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.007248 (E_RNA)
where:
Base-Base interactions energy: -221.510
where: short stacking energy: -97.914
Base-Backbone interact. energy: -0.826
local terms energy: -100.670774
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -22.572
flat angles P-C4'-P energy: -15.175
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: 367
Temperature: 1.000000
Total energy: -318.480943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.480943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.480943 (E_RNA)
where:
Base-Base interactions energy: -222.960
where: short stacking energy: -97.784
Base-Backbone interact. energy: 0.524
local terms energy: -96.044318
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -18.231
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: -24.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -305.817380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.817380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.817380 (E_RNA)
where:
Base-Base interactions energy: -211.020
where: short stacking energy: -86.780
Base-Backbone interact. energy: -0.048
local terms energy: -94.750085
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -22.130
flat angles P-C4'-P energy: -14.004
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: 5, replica: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -278.230793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.230793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.230793 (E_RNA)
where:
Base-Base interactions energy: -186.446
where: short stacking energy: -70.772
Base-Backbone interact. energy: 1.202
local terms energy: -92.986234
where:
bonds (distance) C4'-P energy: -22.384
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -20.666
flat angles P-C4'-P energy: -16.266
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: 6
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -232.976276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.976276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.976276 (E_RNA)
where:
Base-Base interactions energy: -149.691
where: short stacking energy: -61.348
Base-Backbone interact. energy: 0.255
local terms energy: -83.540120
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -23.272
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -18.572
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: 7, replica: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -195.137776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.137776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.137776 (E_RNA)
where:
Base-Base interactions energy: -127.007
where: short stacking energy: -58.166
Base-Backbone interact. energy: -0.235
local terms energy: -67.895650
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -7.830
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: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -135.028167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.028167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.028167 (E_RNA)
where:
Base-Base interactions energy: -65.272
where: short stacking energy: -44.403
Base-Backbone interact. energy: -0.108
local terms energy: -69.648005
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -19.064
flat angles C4'-P-C4' energy: -22.328
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: 0.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -115.041865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.041865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.041865 (E_RNA)
where:
Base-Base interactions energy: -61.988
where: short stacking energy: -46.000
Base-Backbone interact. energy: -0.214
local terms energy: -52.839646
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: 0.142
tors. eta vs tors. theta energy: -5.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -120.143289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.143289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.143289 (E_RNA)
where:
Base-Base interactions energy: -55.784
where: short stacking energy: -27.069
Base-Backbone interact. energy: -0.342
local terms energy: -64.017290
where:
bonds (distance) C4'-P energy: -22.690
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -325.639839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.639839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.639839 (E_RNA)
where:
Base-Base interactions energy: -222.431
where: short stacking energy: -99.135
Base-Backbone interact. energy: 0.882
local terms energy: -104.091224
where:
bonds (distance) C4'-P energy: -23.808
bonds (distance) P-C4' energy: -18.860
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -28.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -328.129238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.129238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.129238 (E_RNA)
where:
Base-Base interactions energy: -224.967
where: short stacking energy: -97.065
Base-Backbone interact. energy: -0.643
local terms energy: -102.519185
where:
bonds (distance) C4'-P energy: -20.075
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -19.870
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -28.950
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: 9
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -322.018896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.018896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.018896 (E_RNA)
where:
Base-Base interactions energy: -218.382
where: short stacking energy: -94.944
Base-Backbone interact. energy: -0.631
local terms energy: -103.006251
where:
bonds (distance) C4'-P energy: -21.586
bonds (distance) P-C4' energy: -19.998
flat angles C4'-P-C4' energy: -19.813
flat angles P-C4'-P energy: -15.291
tors. eta vs tors. theta energy: -26.317
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: 7
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -310.174898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.174898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.174898 (E_RNA)
where:
Base-Base interactions energy: -207.460
where: short stacking energy: -85.133
Base-Backbone interact. energy: -0.204
local terms energy: -102.511083
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -24.279
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -14.016
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: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -291.592926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.592926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.592926 (E_RNA)
where:
Base-Base interactions energy: -206.451
where: short stacking energy: -80.974
Base-Backbone interact. energy: -0.053
local terms energy: -85.089593
where:
bonds (distance) C4'-P energy: -17.794
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -21.753
flat angles P-C4'-P energy: -8.247
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: 6
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -222.263414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.263414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.263414 (E_RNA)
where:
Base-Base interactions energy: -149.160
where: short stacking energy: -64.169
Base-Backbone interact. energy: 0.527
local terms energy: -73.630523
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -18.692
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -9.369
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: 7, replica: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -210.490760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.490760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.490760 (E_RNA)
where:
Base-Base interactions energy: -122.133
where: short stacking energy: -58.735
Base-Backbone interact. energy: -0.328
local terms energy: -88.029760
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -20.932
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -15.809
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: 8, replica: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -118.331523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.331523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.331523 (E_RNA)
where:
Base-Base interactions energy: -53.554
where: short stacking energy: -39.743
Base-Backbone interact. energy: -0.472
local terms energy: -64.305878
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -4.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -158.992687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.992687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.992687 (E_RNA)
where:
Base-Base interactions energy: -97.472
where: short stacking energy: -74.738
Base-Backbone interact. energy: -0.160
local terms energy: -61.360614
where:
bonds (distance) C4'-P energy: -7.660
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -21.202
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -13.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -98.867861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.867861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.867861 (E_RNA)
where:
Base-Base interactions energy: -32.520
where: short stacking energy: -28.650
Base-Backbone interact. energy: 0.625
local terms energy: -66.972458
where:
bonds (distance) C4'-P energy: -20.274
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -4.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -333.614683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.614683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.614683 (E_RNA)
where:
Base-Base interactions energy: -221.488
where: short stacking energy: -97.641
Base-Backbone interact. energy: -0.803
local terms energy: -111.323109
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -25.086
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -15.339
tors. eta vs tors. theta energy: -31.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -321.685425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.685425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.685425 (E_RNA)
where:
Base-Base interactions energy: -224.656
where: short stacking energy: -98.705
Base-Backbone interact. energy: -1.542
local terms energy: -95.487384
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -19.769
flat angles C4'-P-C4' energy: -22.117
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -21.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -320.654443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.654443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.654443 (E_RNA)
where:
Base-Base interactions energy: -221.733
where: short stacking energy: -97.784
Base-Backbone interact. energy: -0.535
local terms energy: -98.385853
where:
bonds (distance) C4'-P energy: -20.849
bonds (distance) P-C4' energy: -19.095
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -26.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -291.541092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.541092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.541092 (E_RNA)
where:
Base-Base interactions energy: -199.807
where: short stacking energy: -76.540
Base-Backbone interact. energy: -0.015
local terms energy: -91.719497
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -20.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -297.057325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.057325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.057325 (E_RNA)
where:
Base-Base interactions energy: -204.900
where: short stacking energy: -88.957
Base-Backbone interact. energy: 0.104
local terms energy: -92.261460
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -19.750
flat angles P-C4'-P energy: -17.763
tors. eta vs tors. theta energy: -24.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -251.775048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.775048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.775048 (E_RNA)
where:
Base-Base interactions energy: -172.177
where: short stacking energy: -73.470
Base-Backbone interact. energy: -0.095
local terms energy: -79.503714
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -19.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -213.842705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.842705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.842705 (E_RNA)
where:
Base-Base interactions energy: -125.534
where: short stacking energy: -68.500
Base-Backbone interact. energy: -0.168
local terms energy: -88.140520
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -20.374
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -14.955
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: 8, replica: 8
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -162.107859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.107859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.107859 (E_RNA)
where:
Base-Base interactions energy: -96.462
where: short stacking energy: -52.164
Base-Backbone interact. energy: 0.334
local terms energy: -65.980577
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -7.611
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: 9, replica: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -109.899615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.899615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.899615 (E_RNA)
where:
Base-Base interactions energy: -49.621
where: short stacking energy: -39.530
Base-Backbone interact. energy: -0.561
local terms energy: -59.717684
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -1.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -103.566030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.566030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.566030 (E_RNA)
where:
Base-Base interactions energy: -44.892
where: short stacking energy: -43.873
Base-Backbone interact. energy: -0.233
local terms energy: -58.440465
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -2.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -333.389603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.389603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.389603 (E_RNA)
where:
Base-Base interactions energy: -223.651
where: short stacking energy: -101.690
Base-Backbone interact. energy: -0.493
local terms energy: -109.244961
where:
bonds (distance) C4'-P energy: -17.835
bonds (distance) P-C4' energy: -22.696
flat angles C4'-P-C4' energy: -23.331
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -33.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -321.891589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.891589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.891589 (E_RNA)
where:
Base-Base interactions energy: -221.441
where: short stacking energy: -93.743
Base-Backbone interact. energy: -0.775
local terms energy: -99.675564
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -22.699
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -29.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -314.147736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.147736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.147736 (E_RNA)
where:
Base-Base interactions energy: -216.271
where: short stacking energy: -96.491
Base-Backbone interact. energy: -0.141
local terms energy: -97.735415
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -22.731
flat angles P-C4'-P energy: -14.078
tors. eta vs tors. theta energy: -26.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -284.424160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.424160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.424160 (E_RNA)
where:
Base-Base interactions energy: -198.603
where: short stacking energy: -78.186
Base-Backbone interact. energy: -0.348
local terms energy: -85.472318
where:
bonds (distance) C4'-P energy: -18.713
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -21.094
flat angles P-C4'-P energy: -9.269
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: 370
Temperature: 1.100000
Total energy: -308.553359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.553359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.553359 (E_RNA)
where:
Base-Base interactions energy: -217.931
where: short stacking energy: -92.610
Base-Backbone interact. energy: -0.180
local terms energy: -90.441810
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -19.395
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -24.829
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: 6
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -221.927522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.927522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.927522 (E_RNA)
where:
Base-Base interactions energy: -143.387
where: short stacking energy: -55.535
Base-Backbone interact. energy: -0.118
local terms energy: -78.423129
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -20.458
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -16.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -213.320162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.320162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.320162 (E_RNA)
where:
Base-Base interactions energy: -130.943
where: short stacking energy: -67.619
Base-Backbone interact. energy: 1.012
local terms energy: -83.388764
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -19.892
flat angles C4'-P-C4' energy: -19.939
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -16.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -197.327791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.327791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.327791 (E_RNA)
where:
Base-Base interactions energy: -120.224
where: short stacking energy: -75.474
Base-Backbone interact. energy: -0.078
local terms energy: -77.025952
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -22.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -96.948523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.948523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.948523 (E_RNA)
where:
Base-Base interactions energy: -46.421
where: short stacking energy: -36.732
Base-Backbone interact. energy: -0.064
local terms energy: -50.463161
where:
bonds (distance) C4'-P energy: -9.977
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -1.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -108.846631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.846631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.846631 (E_RNA)
where:
Base-Base interactions energy: -52.005
where: short stacking energy: -29.381
Base-Backbone interact. energy: -0.148
local terms energy: -56.693620
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -22.138
flat angles P-C4'-P energy: -4.634
tors. eta vs tors. theta energy: 2.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -337.473094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.473094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.473094 (E_RNA)
where:
Base-Base interactions energy: -233.618
where: short stacking energy: -104.695
Base-Backbone interact. energy: -0.099
local terms energy: -103.756071
where:
bonds (distance) C4'-P energy: -18.912
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -23.032
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -29.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -316.947533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.947533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.947533 (E_RNA)
where:
Base-Base interactions energy: -214.303
where: short stacking energy: -89.434
Base-Backbone interact. energy: -0.361
local terms energy: -102.284354
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -23.193
flat angles P-C4'-P energy: -14.851
tors. eta vs tors. theta energy: -23.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -322.759514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.759514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.759514 (E_RNA)
where:
Base-Base interactions energy: -216.440
where: short stacking energy: -92.858
Base-Backbone interact. energy: -1.085
local terms energy: -105.234287
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -22.312
flat angles C4'-P-C4' energy: -23.308
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -29.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -302.912384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.912384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.912384 (E_RNA)
where:
Base-Base interactions energy: -212.862
where: short stacking energy: -89.265
Base-Backbone interact. energy: -0.574
local terms energy: -89.476289
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -17.788
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -25.124
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: 5, replica: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -258.989478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.989478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.989478 (E_RNA)
where:
Base-Base interactions energy: -170.604
where: short stacking energy: -83.614
Base-Backbone interact. energy: 0.371
local terms energy: -88.756472
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -20.493
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -19.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -211.502537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.502537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.502537 (E_RNA)
where:
Base-Base interactions energy: -136.874
where: short stacking energy: -75.428
Base-Backbone interact. energy: -0.233
local terms energy: -74.394990
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -20.860
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -14.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -238.727230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.727230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.727230 (E_RNA)
where:
Base-Base interactions energy: -154.968
where: short stacking energy: -73.400
Base-Backbone interact. energy: -0.039
local terms energy: -83.720468
where:
bonds (distance) C4'-P energy: -16.713
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -19.793
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -21.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -110.344855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.344855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.344855 (E_RNA)
where:
Base-Base interactions energy: -41.298
where: short stacking energy: -36.088
Base-Backbone interact. energy: -0.227
local terms energy: -68.820281
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -19.213
flat angles C4'-P-C4' energy: -22.445
flat angles P-C4'-P energy: -8.781
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: 9, replica: 8
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -175.642023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.642023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.642023 (E_RNA)
where:
Base-Base interactions energy: -98.110
where: short stacking energy: -50.439
Base-Backbone interact. energy: 0.992
local terms energy: -78.524565
where:
bonds (distance) C4'-P energy: -20.920
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -20.905
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -7.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -103.384705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.384705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.384705 (E_RNA)
where:
Base-Base interactions energy: -43.567
where: short stacking energy: -29.325
Base-Backbone interact. energy: -0.475
local terms energy: -59.342857
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -5.578
tors. eta vs tors. theta energy: -4.584
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: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -326.399685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.399685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.399685 (E_RNA)
where:
Base-Base interactions energy: -224.534
where: short stacking energy: -103.964
Base-Backbone interact. energy: -0.057
local terms energy: -101.808353
where:
bonds (distance) C4'-P energy: -22.740
bonds (distance) P-C4' energy: -22.651
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -29.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -322.668566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.668566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.668566 (E_RNA)
where:
Base-Base interactions energy: -224.138
where: short stacking energy: -94.635
Base-Backbone interact. energy: -0.199
local terms energy: -98.331591
where:
bonds (distance) C4'-P energy: -19.793
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -14.129
tors. eta vs tors. theta energy: -25.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -322.324485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.324485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.324485 (E_RNA)
where:
Base-Base interactions energy: -216.705
where: short stacking energy: -91.383
Base-Backbone interact. energy: -0.078
local terms energy: -105.541650
where:
bonds (distance) C4'-P energy: -20.961
bonds (distance) P-C4' energy: -21.811
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: -27.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -317.931208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.931208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.931208 (E_RNA)
where:
Base-Base interactions energy: -218.918
where: short stacking energy: -96.587
Base-Backbone interact. energy: 0.083
local terms energy: -99.096065
where:
bonds (distance) C4'-P energy: -22.546
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -21.674
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -28.545
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: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -258.010534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.010534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.010534 (E_RNA)
where:
Base-Base interactions energy: -173.074
where: short stacking energy: -76.197
Base-Backbone interact. energy: 1.775
local terms energy: -86.711179
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -20.966
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -19.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -214.223898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.223898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.223898 (E_RNA)
where:
Base-Base interactions energy: -132.670
where: short stacking energy: -65.525
Base-Backbone interact. energy: -0.019
local terms energy: -81.534694
where:
bonds (distance) C4'-P energy: -21.255
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -18.003
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: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -228.441163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.441163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.441163 (E_RNA)
where:
Base-Base interactions energy: -144.385
where: short stacking energy: -68.693
Base-Backbone interact. energy: -0.157
local terms energy: -83.899134
where:
bonds (distance) C4'-P energy: -18.693
bonds (distance) P-C4' energy: -22.004
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -9.499
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: 8, replica: 3
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -121.805901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.805901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.805901 (E_RNA)
where:
Base-Base interactions energy: -51.239
where: short stacking energy: -35.153
Base-Backbone interact. energy: 1.151
local terms energy: -71.717834
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -22.721
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: 0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -169.717687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.717687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.717687 (E_RNA)
where:
Base-Base interactions energy: -95.364
where: short stacking energy: -58.627
Base-Backbone interact. energy: -0.466
local terms energy: -73.887840
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -19.832
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -11.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -100.918603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.918603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.918603 (E_RNA)
where:
Base-Base interactions energy: -41.884
where: short stacking energy: -27.578
Base-Backbone interact. energy: 0.022
local terms energy: -59.056079
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: 3.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -325.506193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.506193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.506193 (E_RNA)
where:
Base-Base interactions energy: -224.413
where: short stacking energy: -97.925
Base-Backbone interact. energy: -0.333
local terms energy: -100.760410
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -21.508
flat angles P-C4'-P energy: -15.092
tors. eta vs tors. theta energy: -26.707
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: 373
Temperature: 0.950000
Total energy: -329.429996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.429996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.429996 (E_RNA)
where:
Base-Base interactions energy: -217.571
where: short stacking energy: -105.031
Base-Backbone interact. energy: -0.414
local terms energy: -111.445225
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -23.144
flat angles C4'-P-C4' energy: -20.476
flat angles P-C4'-P energy: -17.212
tors. eta vs tors. theta energy: -30.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -323.666185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.666185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.666185 (E_RNA)
where:
Base-Base interactions energy: -221.211
where: short stacking energy: -102.128
Base-Backbone interact. energy: -0.405
local terms energy: -102.050085
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -18.945
flat angles C4'-P-C4' energy: -21.187
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -29.149
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: 7
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -312.270491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.270491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.270491 (E_RNA)
where:
Base-Base interactions energy: -206.079
where: short stacking energy: -84.901
Base-Backbone interact. energy: -1.157
local terms energy: -105.034479
where:
bonds (distance) C4'-P energy: -20.596
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -21.529
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -27.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -250.908702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.908702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.908702 (E_RNA)
where:
Base-Base interactions energy: -165.198
where: short stacking energy: -79.931
Base-Backbone interact. energy: -0.440
local terms energy: -85.270866
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -19.421
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -22.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -243.833071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.833071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.833071 (E_RNA)
where:
Base-Base interactions energy: -171.665
where: short stacking energy: -60.264
Base-Backbone interact. energy: -0.606
local terms energy: -71.561991
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -6.746
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: 7, replica: 1
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -196.892029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.892029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.892029 (E_RNA)
where:
Base-Base interactions energy: -107.782
where: short stacking energy: -58.828
Base-Backbone interact. energy: -0.017
local terms energy: -89.093022
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -14.864
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: 8, replica: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -172.494756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.494756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.494756 (E_RNA)
where:
Base-Base interactions energy: -96.251
where: short stacking energy: -52.307
Base-Backbone interact. energy: -0.305
local terms energy: -75.938906
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -18.271
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -13.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -103.582112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.582112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.582112 (E_RNA)
where:
Base-Base interactions energy: -36.838
where: short stacking energy: -36.838
Base-Backbone interact. energy: -0.501
local terms energy: -66.243176
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -4.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -108.545396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.545396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.545396 (E_RNA)
where:
Base-Base interactions energy: -47.739
where: short stacking energy: -21.495
Base-Backbone interact. energy: 2.526
local terms energy: -63.332890
where:
bonds (distance) C4'-P energy: -19.514
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -20.582
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: 0.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -333.864280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.864280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.864280 (E_RNA)
where:
Base-Base interactions energy: -223.531
where: short stacking energy: -99.275
Base-Backbone interact. energy: -0.090
local terms energy: -110.243247
where:
bonds (distance) C4'-P energy: -22.729
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -23.952
flat angles P-C4'-P energy: -15.571
tors. eta vs tors. theta energy: -27.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -334.520517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.520517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.520517 (E_RNA)
where:
Base-Base interactions energy: -225.450
where: short stacking energy: -100.424
Base-Backbone interact. energy: -0.542
local terms energy: -108.528338
where:
bonds (distance) C4'-P energy: -20.515
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -23.576
flat angles P-C4'-P energy: -17.592
tors. eta vs tors. theta energy: -28.204
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: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -319.822877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.822877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.822877 (E_RNA)
where:
Base-Base interactions energy: -222.623
where: short stacking energy: -91.959
Base-Backbone interact. energy: -0.736
local terms energy: -96.464286
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -23.448
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -23.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -308.907370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.907370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.907370 (E_RNA)
where:
Base-Base interactions energy: -203.988
where: short stacking energy: -87.416
Base-Backbone interact. energy: -0.840
local terms energy: -104.079715
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -21.127
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -13.820
tors. eta vs tors. theta energy: -27.304
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: 6
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -268.589788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.589788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.589788 (E_RNA)
where:
Base-Base interactions energy: -175.866
where: short stacking energy: -67.617
Base-Backbone interact. energy: -0.882
local terms energy: -91.842074
where:
bonds (distance) C4'-P energy: -22.841
bonds (distance) P-C4' energy: -22.013
flat angles C4'-P-C4' energy: -18.325
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -14.485
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: 4
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -266.964266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.964266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.964266 (E_RNA)
where:
Base-Base interactions energy: -178.093
where: short stacking energy: -80.549
Base-Backbone interact. energy: 1.605
local terms energy: -90.476486
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -20.195
flat angles P-C4'-P energy: -15.954
tors. eta vs tors. theta energy: -17.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -198.949332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.949332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.949332 (E_RNA)
where:
Base-Base interactions energy: -124.284
where: short stacking energy: -58.266
Base-Backbone interact. energy: 0.365
local terms energy: -75.030321
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -13.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -191.120380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.120380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.120380 (E_RNA)
where:
Base-Base interactions energy: -118.394
where: short stacking energy: -52.683
Base-Backbone interact. energy: -0.572
local terms energy: -72.154309
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -19.100
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -5.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -113.146506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.146506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.146506 (E_RNA)
where:
Base-Base interactions energy: -43.548
where: short stacking energy: -43.548
Base-Backbone interact. energy: -1.077
local terms energy: -68.521033
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -6.999
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: 10, replica: 3
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -101.588556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.588556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.588556 (E_RNA)
where:
Base-Base interactions energy: -34.256
where: short stacking energy: -27.668
Base-Backbone interact. energy: 1.183
local terms energy: -68.515757
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -18.930
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: 1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -336.239144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.239144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.239144 (E_RNA)
where:
Base-Base interactions energy: -234.138
where: short stacking energy: -102.911
Base-Backbone interact. energy: 1.187
local terms energy: -103.288604
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -18.375
flat angles C4'-P-C4' energy: -23.282
flat angles P-C4'-P energy: -14.122
tors. eta vs tors. theta energy: -29.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -321.583723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.583723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.583723 (E_RNA)
where:
Base-Base interactions energy: -216.581
where: short stacking energy: -95.823
Base-Backbone interact. energy: 0.104
local terms energy: -105.107160
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -22.830
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -16.835
tors. eta vs tors. theta energy: -25.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -320.575367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.575367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.575367 (E_RNA)
where:
Base-Base interactions energy: -210.293
where: short stacking energy: -94.338
Base-Backbone interact. energy: -0.030
local terms energy: -110.252895
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -22.390
flat angles C4'-P-C4' energy: -20.597
flat angles P-C4'-P energy: -18.408
tors. eta vs tors. theta energy: -27.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -309.499654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.499654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.499654 (E_RNA)
where:
Base-Base interactions energy: -203.526
where: short stacking energy: -86.123
Base-Backbone interact. energy: -0.195
local terms energy: -105.778815
where:
bonds (distance) C4'-P energy: -20.815
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -18.969
flat angles P-C4'-P energy: -18.747
tors. eta vs tors. theta energy: -24.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -287.654648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.654648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.654648 (E_RNA)
where:
Base-Base interactions energy: -196.001
where: short stacking energy: -76.455
Base-Backbone interact. energy: -1.459
local terms energy: -90.194680
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -21.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -253.856026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.856026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.856026 (E_RNA)
where:
Base-Base interactions energy: -166.835
where: short stacking energy: -78.933
Base-Backbone interact. energy: -0.424
local terms energy: -86.597162
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -24.896
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -23.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -190.712210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.712210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.712210 (E_RNA)
where:
Base-Base interactions energy: -111.889
where: short stacking energy: -51.361
Base-Backbone interact. energy: -0.581
local terms energy: -78.242175
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -11.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -104.940705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.940705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.940705 (E_RNA)
where:
Base-Base interactions energy: -42.537
where: short stacking energy: -40.921
Base-Backbone interact. energy: -0.184
local terms energy: -62.218941
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -3.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -144.837519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.837519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.837519 (E_RNA)
where:
Base-Base interactions energy: -75.251
where: short stacking energy: -34.761
Base-Backbone interact. energy: -1.101
local terms energy: -68.486127
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: -6.658
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: 10, replica: 3
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -107.684361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.684361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.684361 (E_RNA)
where:
Base-Base interactions energy: -43.970
where: short stacking energy: -30.790
Base-Backbone interact. energy: -0.613
local terms energy: -63.101618
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -2.795
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: 7
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -339.020634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.020634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.020634 (E_RNA)
where:
Base-Base interactions energy: -228.040
where: short stacking energy: -99.410
Base-Backbone interact. energy: 0.815
local terms energy: -111.795462
where:
bonds (distance) C4'-P energy: -19.984
bonds (distance) P-C4' energy: -23.455
flat angles C4'-P-C4' energy: -23.542
flat angles P-C4'-P energy: -16.708
tors. eta vs tors. theta energy: -28.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -333.145900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.145900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.145900 (E_RNA)
where:
Base-Base interactions energy: -226.369
where: short stacking energy: -102.715
Base-Backbone interact. energy: -0.534
local terms energy: -106.243134
where:
bonds (distance) C4'-P energy: -19.800
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -18.201
tors. eta vs tors. theta energy: -30.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -293.480110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.480110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.480110 (E_RNA)
where:
Base-Base interactions energy: -195.890
where: short stacking energy: -86.697
Base-Backbone interact. energy: -0.198
local terms energy: -97.392062
where:
bonds (distance) C4'-P energy: -21.090
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -20.989
flat angles P-C4'-P energy: -18.317
tors. eta vs tors. theta energy: -20.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -317.697789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.697789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.697789 (E_RNA)
where:
Base-Base interactions energy: -215.554
where: short stacking energy: -95.161
Base-Backbone interact. energy: -0.124
local terms energy: -102.019413
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -20.312
flat angles C4'-P-C4' energy: -21.500
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -28.325
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: 6
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -276.253201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.253201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.253201 (E_RNA)
where:
Base-Base interactions energy: -180.188
where: short stacking energy: -69.511
Base-Backbone interact. energy: 0.121
local terms energy: -96.186280
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -19.963
flat angles C4'-P-C4' energy: -20.932
flat angles P-C4'-P energy: -18.383
tors. eta vs tors. theta energy: -18.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -258.104197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.104197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.104197 (E_RNA)
where:
Base-Base interactions energy: -166.997
where: short stacking energy: -77.072
Base-Backbone interact. energy: -0.819
local terms energy: -90.287435
where:
bonds (distance) C4'-P energy: -21.206
bonds (distance) P-C4' energy: -11.048
flat angles C4'-P-C4' energy: -23.813
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -21.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -206.132473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.132473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.132473 (E_RNA)
where:
Base-Base interactions energy: -118.001
where: short stacking energy: -55.851
Base-Backbone interact. energy: -0.023
local terms energy: -88.108763
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -20.745
flat angles C4'-P-C4' energy: -22.764
flat angles P-C4'-P energy: -8.830
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: 8, replica: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -113.819880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.819880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.819880 (E_RNA)
where:
Base-Base interactions energy: -38.432
where: short stacking energy: -37.069
Base-Backbone interact. energy: -0.346
local terms energy: -75.042337
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -22.645
flat angles C4'-P-C4' energy: -23.097
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -5.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -131.693283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.693283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.693283 (E_RNA)
where:
Base-Base interactions energy: -61.804
where: short stacking energy: -45.405
Base-Backbone interact. energy: -0.251
local terms energy: -69.637308
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -3.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -99.877267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.877267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.877267 (E_RNA)
where:
Base-Base interactions energy: -52.994
where: short stacking energy: -15.601
Base-Backbone interact. energy: -0.549
local terms energy: -46.334795
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -16.468
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: 4.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -329.452680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.452680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.452680 (E_RNA)
where:
Base-Base interactions energy: -227.809
where: short stacking energy: -91.156
Base-Backbone interact. energy: -0.240
local terms energy: -101.404207
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -27.491
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: 5
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -328.376687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.376687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.376687 (E_RNA)
where:
Base-Base interactions energy: -225.070
where: short stacking energy: -96.046
Base-Backbone interact. energy: -0.107
local terms energy: -103.199804
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -22.463
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -28.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -308.031013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.031013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.031013 (E_RNA)
where:
Base-Base interactions energy: -212.704
where: short stacking energy: -85.825
Base-Backbone interact. energy: -0.542
local terms energy: -94.785726
where:
bonds (distance) C4'-P energy: -19.922
bonds (distance) P-C4' energy: -22.709
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -16.627
tors. eta vs tors. theta energy: -17.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -321.187089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.187089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.187089 (E_RNA)
where:
Base-Base interactions energy: -214.116
where: short stacking energy: -94.463
Base-Backbone interact. energy: -0.840
local terms energy: -106.230905
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -24.546
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -28.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -273.653804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.653804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.653804 (E_RNA)
where:
Base-Base interactions energy: -188.807
where: short stacking energy: -71.820
Base-Backbone interact. energy: -0.837
local terms energy: -84.009328
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -21.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -261.388608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.388608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.388608 (E_RNA)
where:
Base-Base interactions energy: -167.989
where: short stacking energy: -65.249
Base-Backbone interact. energy: -1.976
local terms energy: -91.423618
where:
bonds (distance) C4'-P energy: -21.181
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -12.343
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: 7, replica: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -197.480265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.480265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.480265 (E_RNA)
where:
Base-Base interactions energy: -122.037
where: short stacking energy: -51.942
Base-Backbone interact. energy: -0.936
local terms energy: -74.507167
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -11.998
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: 3
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -110.574065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.574065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.574065 (E_RNA)
where:
Base-Base interactions energy: -31.565
where: short stacking energy: -27.339
Base-Backbone interact. energy: -0.377
local terms energy: -78.632650
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -20.378
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -19.526
tors. eta vs tors. theta energy: -1.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -103.742598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.742598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.742598 (E_RNA)
where:
Base-Base interactions energy: -34.605
where: short stacking energy: -32.807
Base-Backbone interact. energy: -0.423
local terms energy: -68.714362
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -3.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -120.127428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.127428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.127428 (E_RNA)
where:
Base-Base interactions energy: -46.996
where: short stacking energy: -46.996
Base-Backbone interact. energy: -0.188
local terms energy: -72.943058
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -21.427
flat angles C4'-P-C4' energy: -20.717
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -6.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -332.580830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.580830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.580830 (E_RNA)
where:
Base-Base interactions energy: -220.238
where: short stacking energy: -91.386
Base-Backbone interact. energy: -0.149
local terms energy: -112.194114
where:
bonds (distance) C4'-P energy: -22.890
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -18.497
tors. eta vs tors. theta energy: -28.120
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: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -325.467910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.467910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.467910 (E_RNA)
where:
Base-Base interactions energy: -221.562
where: short stacking energy: -99.625
Base-Backbone interact. energy: 0.302
local terms energy: -104.208057
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -21.064
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -28.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -319.822798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.822798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.822798 (E_RNA)
where:
Base-Base interactions energy: -221.622
where: short stacking energy: -95.972
Base-Backbone interact. energy: -0.138
local terms energy: -98.062822
where:
bonds (distance) C4'-P energy: -19.061
bonds (distance) P-C4' energy: -18.691
flat angles C4'-P-C4' energy: -19.696
flat angles P-C4'-P energy: -16.328
tors. eta vs tors. theta energy: -24.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -309.191304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.191304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.191304 (E_RNA)
where:
Base-Base interactions energy: -217.217
where: short stacking energy: -94.045
Base-Backbone interact. energy: -0.130
local terms energy: -91.844146
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -20.617
flat angles C4'-P-C4' energy: -9.235
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -29.842
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: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -279.411680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.411680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.411680 (E_RNA)
where:
Base-Base interactions energy: -185.307
where: short stacking energy: -72.627
Base-Backbone interact. energy: -0.270
local terms energy: -93.834736
where:
bonds (distance) C4'-P energy: -18.792
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -19.453
flat angles P-C4'-P energy: -17.405
tors. eta vs tors. theta energy: -20.899
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: 6, replica: 6
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -268.798089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.798089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.798089 (E_RNA)
where:
Base-Base interactions energy: -179.719
where: short stacking energy: -77.799
Base-Backbone interact. energy: -0.247
local terms energy: -88.831925
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -21.412
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -11.581
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: 7, replica: 8
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -205.041509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.041509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.041509 (E_RNA)
where:
Base-Base interactions energy: -125.570
where: short stacking energy: -58.808
Base-Backbone interact. energy: -0.741
local terms energy: -78.730204
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -18.801
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -121.123905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.123905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.123905 (E_RNA)
where:
Base-Base interactions energy: -45.332
where: short stacking energy: -39.660
Base-Backbone interact. energy: 1.327
local terms energy: -77.118482
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -8.528
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: 9, replica: 1
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -109.558687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.558687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.558687 (E_RNA)
where:
Base-Base interactions energy: -31.832
where: short stacking energy: -28.087
Base-Backbone interact. energy: -0.162
local terms energy: -77.564630
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -19.960
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -6.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -108.602563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.602563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.602563 (E_RNA)
where:
Base-Base interactions energy: -42.714
where: short stacking energy: -37.455
Base-Backbone interact. energy: -0.340
local terms energy: -65.547577
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -5.362
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: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -333.852419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.852419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.852419 (E_RNA)
where:
Base-Base interactions energy: -233.706
where: short stacking energy: -93.019
Base-Backbone interact. energy: -0.098
local terms energy: -100.048463
where:
bonds (distance) C4'-P energy: -22.547
bonds (distance) P-C4' energy: -20.550
flat angles C4'-P-C4' energy: -20.766
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -23.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -320.898864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.898864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.898864 (E_RNA)
where:
Base-Base interactions energy: -215.254
where: short stacking energy: -96.269
Base-Backbone interact. energy: -0.309
local terms energy: -105.336185
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -29.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -320.640012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.640012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.640012 (E_RNA)
where:
Base-Base interactions energy: -218.764
where: short stacking energy: -93.283
Base-Backbone interact. energy: -0.324
local terms energy: -101.551990
where:
bonds (distance) C4'-P energy: -20.479
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -28.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -316.847245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.847245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.847245 (E_RNA)
where:
Base-Base interactions energy: -216.290
where: short stacking energy: -91.191
Base-Backbone interact. energy: 0.222
local terms energy: -100.779237
where:
bonds (distance) C4'-P energy: -17.276
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -20.821
flat angles P-C4'-P energy: -18.582
tors. eta vs tors. theta energy: -24.312
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: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -284.025751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.025751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.025751 (E_RNA)
where:
Base-Base interactions energy: -188.149
where: short stacking energy: -78.351
Base-Backbone interact. energy: -0.080
local terms energy: -95.797283
where:
bonds (distance) C4'-P energy: -17.789
bonds (distance) P-C4' energy: -24.899
flat angles C4'-P-C4' energy: -18.068
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -22.987
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: 6
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -283.330361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.330361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.330361 (E_RNA)
where:
Base-Base interactions energy: -198.009
where: short stacking energy: -74.688
Base-Backbone interact. energy: -0.432
local terms energy: -84.889499
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -23.519
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -8.234
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: 7, replica: 8
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -176.697892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.697892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.697892 (E_RNA)
where:
Base-Base interactions energy: -93.427
where: short stacking energy: -52.831
Base-Backbone interact. energy: -0.236
local terms energy: -83.034549
where:
bonds (distance) C4'-P energy: -19.859
bonds (distance) P-C4' energy: -20.264
flat angles C4'-P-C4' energy: -19.857
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -9.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -171.935124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.935124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.935124 (E_RNA)
where:
Base-Base interactions energy: -91.237
where: short stacking energy: -44.346
Base-Backbone interact. energy: 1.674
local terms energy: -82.371726
where:
bonds (distance) C4'-P energy: -19.571
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -19.546
flat angles P-C4'-P energy: -13.370
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: 9, replica: 3
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -100.402066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.402066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.402066 (E_RNA)
where:
Base-Base interactions energy: -38.454
where: short stacking energy: -27.560
Base-Backbone interact. energy: -0.397
local terms energy: -61.550659
where:
bonds (distance) C4'-P energy: -18.999
bonds (distance) P-C4' energy: -20.904
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: 1.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -98.109527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.109527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.109527 (E_RNA)
where:
Base-Base interactions energy: -49.926
where: short stacking energy: -22.002
Base-Backbone interact. energy: -0.376
local terms energy: -47.808167
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -11.079
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: 1, replica: 5
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -326.158289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.158289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.158289 (E_RNA)
where:
Base-Base interactions energy: -224.044
where: short stacking energy: -87.556
Base-Backbone interact. energy: -0.229
local terms energy: -101.885138
where:
bonds (distance) C4'-P energy: -18.329
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -22.503
flat angles P-C4'-P energy: -17.740
tors. eta vs tors. theta energy: -24.346
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: 2, replica: 9
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -324.637938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.637938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.637938 (E_RNA)
where:
Base-Base interactions energy: -224.671
where: short stacking energy: -96.135
Base-Backbone interact. energy: -0.537
local terms energy: -99.429473
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -20.765
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -25.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -318.315394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.315394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.315394 (E_RNA)
where:
Base-Base interactions energy: -219.882
where: short stacking energy: -95.699
Base-Backbone interact. energy: -0.482
local terms energy: -97.951741
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -20.977
flat angles P-C4'-P energy: -15.647
tors. eta vs tors. theta energy: -25.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -313.251569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.251569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.251569 (E_RNA)
where:
Base-Base interactions energy: -212.909
where: short stacking energy: -91.835
Base-Backbone interact. energy: -0.084
local terms energy: -100.258794
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -20.723
flat angles C4'-P-C4' energy: -23.370
flat angles P-C4'-P energy: -14.757
tors. eta vs tors. theta energy: -27.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -267.967605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.967605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.967605 (E_RNA)
where:
Base-Base interactions energy: -177.913
where: short stacking energy: -68.230
Base-Backbone interact. energy: -0.371
local terms energy: -89.683029
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -18.976
flat angles P-C4'-P energy: -13.815
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: 6, replica: 4
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -272.533664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.533664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.533664 (E_RNA)
where:
Base-Base interactions energy: -189.186
where: short stacking energy: -72.103
Base-Backbone interact. energy: -0.263
local terms energy: -83.084962
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -19.442
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -20.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -178.795893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.795893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.795893 (E_RNA)
where:
Base-Base interactions energy: -105.229
where: short stacking energy: -53.035
Base-Backbone interact. energy: -0.109
local terms energy: -73.457815
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -12.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -168.262957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.262957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.262957 (E_RNA)
where:
Base-Base interactions energy: -91.957
where: short stacking energy: -57.727
Base-Backbone interact. energy: -0.292
local terms energy: -76.014247
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -20.929
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -11.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -103.047429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.047429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.047429 (E_RNA)
where:
Base-Base interactions energy: -37.035
where: short stacking energy: -29.195
Base-Backbone interact. energy: -0.358
local terms energy: -65.654454
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -19.471
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: 0.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -96.898085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.898085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.898085 (E_RNA)
where:
Base-Base interactions energy: -39.551
where: short stacking energy: -39.851
Base-Backbone interact. energy: 0.618
local terms energy: -57.965486
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -4.284
tors. eta vs tors. theta energy: -6.397
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: 1, replica: 5
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -320.892664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.892664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.892664 (E_RNA)
where:
Base-Base interactions energy: -222.495
where: short stacking energy: -98.671
Base-Backbone interact. energy: -0.909
local terms energy: -97.489473
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -20.665
flat angles P-C4'-P energy: -15.411
tors. eta vs tors. theta energy: -26.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -322.534491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.534491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.534491 (E_RNA)
where:
Base-Base interactions energy: -217.102
where: short stacking energy: -95.440
Base-Backbone interact. energy: -0.302
local terms energy: -105.130657
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -22.201
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -30.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -312.589358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.589358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.589358 (E_RNA)
where:
Base-Base interactions energy: -212.616
where: short stacking energy: -83.906
Base-Backbone interact. energy: 0.345
local terms energy: -100.318616
where:
bonds (distance) C4'-P energy: -22.356
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -21.573
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -26.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -312.542984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.542984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.542984 (E_RNA)
where:
Base-Base interactions energy: -207.100
where: short stacking energy: -82.457
Base-Backbone interact. energy: -0.112
local terms energy: -105.330555
where:
bonds (distance) C4'-P energy: -18.684
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -24.794
flat angles P-C4'-P energy: -14.804
tors. eta vs tors. theta energy: -27.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -261.350026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.350026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.350026 (E_RNA)
where:
Base-Base interactions energy: -177.521
where: short stacking energy: -72.004
Base-Backbone interact. energy: -0.038
local terms energy: -83.791027
where:
bonds (distance) C4'-P energy: -22.326
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -9.932
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: 6, replica: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -236.255553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.255553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.255553 (E_RNA)
where:
Base-Base interactions energy: -154.011
where: short stacking energy: -57.228
Base-Backbone interact. energy: -1.250
local terms energy: -80.994548
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -18.606
flat angles C4'-P-C4' energy: -19.971
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -10.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -169.223028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.223028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.223028 (E_RNA)
where:
Base-Base interactions energy: -90.355
where: short stacking energy: -54.125
Base-Backbone interact. energy: -1.095
local terms energy: -77.772787
where:
bonds (distance) C4'-P energy: -22.145
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -11.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -116.046139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.046139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.046139 (E_RNA)
where:
Base-Base interactions energy: -48.725
where: short stacking energy: -39.026
Base-Backbone interact. energy: 0.312
local terms energy: -67.633541
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -21.964
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -2.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -106.599461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.599461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.599461 (E_RNA)
where:
Base-Base interactions energy: -49.431
where: short stacking energy: -43.215
Base-Backbone interact. energy: -0.544
local terms energy: -56.623961
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -1.422
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: 3
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -93.010455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.010455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.010455 (E_RNA)
where:
Base-Base interactions energy: -36.538
where: short stacking energy: -29.739
Base-Backbone interact. energy: -0.450
local terms energy: -56.021834
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -323.235597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.235597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.235597 (E_RNA)
where:
Base-Base interactions energy: -222.432
where: short stacking energy: -99.878
Base-Backbone interact. energy: -0.321
local terms energy: -100.482323
where:
bonds (distance) C4'-P energy: -22.091
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -19.911
flat angles P-C4'-P energy: -14.122
tors. eta vs tors. theta energy: -21.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -324.148802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.148802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.148802 (E_RNA)
where:
Base-Base interactions energy: -223.613
where: short stacking energy: -93.255
Base-Backbone interact. energy: 0.025
local terms energy: -100.560525
where:
bonds (distance) C4'-P energy: -21.206
bonds (distance) P-C4' energy: -22.359
flat angles C4'-P-C4' energy: -23.898
flat angles P-C4'-P energy: -11.120
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: 3, replica: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -315.589714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.589714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.589714 (E_RNA)
where:
Base-Base interactions energy: -218.924
where: short stacking energy: -97.676
Base-Backbone interact. energy: -0.747
local terms energy: -95.918922
where:
bonds (distance) C4'-P energy: -18.643
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: -26.958
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: 9
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -304.490973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.490973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.490973 (E_RNA)
where:
Base-Base interactions energy: -206.070
where: short stacking energy: -77.314
Base-Backbone interact. energy: -0.200
local terms energy: -98.220879
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -22.666
flat angles P-C4'-P energy: -14.886
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: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -275.193107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.193107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.193107 (E_RNA)
where:
Base-Base interactions energy: -191.024
where: short stacking energy: -79.998
Base-Backbone interact. energy: -0.014
local terms energy: -84.154973
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -21.497
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -24.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -252.262302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.262302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.262302 (E_RNA)
where:
Base-Base interactions energy: -171.680
where: short stacking energy: -65.067
Base-Backbone interact. energy: -0.666
local terms energy: -79.917115
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -19.894
flat angles C4'-P-C4' energy: -23.761
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -14.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -172.156138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.156138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.156138 (E_RNA)
where:
Base-Base interactions energy: -96.995
where: short stacking energy: -48.706
Base-Backbone interact. energy: -0.840
local terms energy: -74.321062
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -10.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -100.031481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.031481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.031481 (E_RNA)
where:
Base-Base interactions energy: -38.236
where: short stacking energy: -35.740
Base-Backbone interact. energy: -0.141
local terms energy: -61.654047
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -2.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -105.557200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.557200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.557200 (E_RNA)
where:
Base-Base interactions energy: -37.643
where: short stacking energy: -33.083
Base-Backbone interact. energy: -0.311
local terms energy: -67.603954
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -19.554
flat angles C4'-P-C4' energy: -21.265
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -2.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -106.110936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.110936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.110936 (E_RNA)
where:
Base-Base interactions energy: -34.129
where: short stacking energy: -29.704
Base-Backbone interact. energy: -0.091
local terms energy: -71.890458
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -9.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -325.001921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.001921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.001921 (E_RNA)
where:
Base-Base interactions energy: -223.171
where: short stacking energy: -98.207
Base-Backbone interact. energy: -0.526
local terms energy: -101.304459
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -21.763
flat angles C4'-P-C4' energy: -23.814
flat angles P-C4'-P energy: -15.344
tors. eta vs tors. theta energy: -25.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -323.661144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.661144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.661144 (E_RNA)
where:
Base-Base interactions energy: -213.027
where: short stacking energy: -97.010
Base-Backbone interact. energy: -0.082
local terms energy: -110.551899
where:
bonds (distance) C4'-P energy: -23.675
bonds (distance) P-C4' energy: -21.501
flat angles C4'-P-C4' energy: -22.619
flat angles P-C4'-P energy: -16.014
tors. eta vs tors. theta energy: -26.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -317.455467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.455467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.455467 (E_RNA)
where:
Base-Base interactions energy: -208.720
where: short stacking energy: -92.803
Base-Backbone interact. energy: -0.354
local terms energy: -108.381734
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -20.638
flat angles C4'-P-C4' energy: -23.079
flat angles P-C4'-P energy: -18.631
tors. eta vs tors. theta energy: -27.602
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: 9
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -309.778249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.778249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.778249 (E_RNA)
where:
Base-Base interactions energy: -217.031
where: short stacking energy: -88.903
Base-Backbone interact. energy: 1.014
local terms energy: -93.761412
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -19.637
flat angles C4'-P-C4' energy: -21.333
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -24.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -285.279848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.279848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.279848 (E_RNA)
where:
Base-Base interactions energy: -201.920
where: short stacking energy: -77.125
Base-Backbone interact. energy: -0.034
local terms energy: -83.325581
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -20.589
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -21.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -253.466800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.466800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.466800 (E_RNA)
where:
Base-Base interactions energy: -173.472
where: short stacking energy: -67.638
Base-Backbone interact. energy: -0.513
local terms energy: -79.481528
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -22.201
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -17.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -176.808515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.808515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.808515 (E_RNA)
where:
Base-Base interactions energy: -104.867
where: short stacking energy: -40.815
Base-Backbone interact. energy: -1.465
local terms energy: -70.476109
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -22.150
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -5.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -125.481898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.481898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.481898 (E_RNA)
where:
Base-Base interactions energy: -57.439
where: short stacking energy: -57.294
Base-Backbone interact. energy: -0.140
local terms energy: -67.903152
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -7.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -130.065685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.065685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.065685 (E_RNA)
where:
Base-Base interactions energy: -73.601
where: short stacking energy: -36.099
Base-Backbone interact. energy: 0.860
local terms energy: -57.324296
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -19.965
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -110.223585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.223585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.223585 (E_RNA)
where:
Base-Base interactions energy: -42.184
where: short stacking energy: -25.613
Base-Backbone interact. energy: 2.076
local terms energy: -70.115909
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -13.168
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: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -329.583352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.583352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.583352 (E_RNA)
where:
Base-Base interactions energy: -223.470
where: short stacking energy: -99.863
Base-Backbone interact. energy: -0.395
local terms energy: -105.718320
where:
bonds (distance) C4'-P energy: -20.836
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -24.307
flat angles P-C4'-P energy: -15.892
tors. eta vs tors. theta energy: -27.723
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: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -325.929757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.929757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.929757 (E_RNA)
where:
Base-Base interactions energy: -224.955
where: short stacking energy: -102.750
Base-Backbone interact. energy: -0.073
local terms energy: -100.901223
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -20.083
flat angles C4'-P-C4' energy: -21.076
flat angles P-C4'-P energy: -17.825
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: 3, replica: 9
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -318.862222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.862222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.862222 (E_RNA)
where:
Base-Base interactions energy: -217.392
where: short stacking energy: -92.884
Base-Backbone interact. energy: -0.100
local terms energy: -101.369706
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -22.277
flat angles P-C4'-P energy: -15.551
tors. eta vs tors. theta energy: -26.677
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: 7
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -316.879383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.879383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.879383 (E_RNA)
where:
Base-Base interactions energy: -215.317
where: short stacking energy: -87.866
Base-Backbone interact. energy: -0.109
local terms energy: -101.453784
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -21.479
flat angles C4'-P-C4' energy: -19.035
flat angles P-C4'-P energy: -15.515
tors. eta vs tors. theta energy: -28.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -279.571606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.571606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.571606 (E_RNA)
where:
Base-Base interactions energy: -196.755
where: short stacking energy: -73.225
Base-Backbone interact. energy: -0.056
local terms energy: -82.761351
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -20.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -262.478302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.478302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.478302 (E_RNA)
where:
Base-Base interactions energy: -174.974
where: short stacking energy: -77.356
Base-Backbone interact. energy: -0.127
local terms energy: -87.377185
where:
bonds (distance) C4'-P energy: -17.202
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -18.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -178.173675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.173675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.173675 (E_RNA)
where:
Base-Base interactions energy: -107.721
where: short stacking energy: -60.878
Base-Backbone interact. energy: -0.073
local terms energy: -70.379104
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -10.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -111.536536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.536536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.536536 (E_RNA)
where:
Base-Base interactions energy: -34.844
where: short stacking energy: -22.710
Base-Backbone interact. energy: -0.931
local terms energy: -75.760729
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -22.714
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -16.863
tors. eta vs tors. theta energy: 1.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -118.162238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.162238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.162238 (E_RNA)
where:
Base-Base interactions energy: -49.482
where: short stacking energy: -47.453
Base-Backbone interact. energy: 0.537
local terms energy: -69.217741
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -7.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -101.004618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.004618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.004618 (E_RNA)
where:
Base-Base interactions energy: -37.273
where: short stacking energy: -29.736
Base-Backbone interact. energy: 1.279
local terms energy: -65.010721
where:
bonds (distance) C4'-P energy: -22.951
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -0.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -322.283335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.283335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.283335 (E_RNA)
where:
Base-Base interactions energy: -219.249
where: short stacking energy: -92.553
Base-Backbone interact. energy: -0.159
local terms energy: -102.875713
where:
bonds (distance) C4'-P energy: -22.376
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -21.402
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -25.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -327.274747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.274747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.274747 (E_RNA)
where:
Base-Base interactions energy: -227.571
where: short stacking energy: -91.176
Base-Backbone interact. energy: 1.771
local terms energy: -101.474783
where:
bonds (distance) C4'-P energy: -23.800
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -26.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -311.909385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.909385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.909385 (E_RNA)
where:
Base-Base interactions energy: -221.628
where: short stacking energy: -89.837
Base-Backbone interact. energy: -0.352
local terms energy: -89.929496
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -24.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -309.942080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.942080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.942080 (E_RNA)
where:
Base-Base interactions energy: -214.587
where: short stacking energy: -86.008
Base-Backbone interact. energy: -0.966
local terms energy: -94.389413
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -22.805
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: 5, replica: 6
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -278.578929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.578929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.578929 (E_RNA)
where:
Base-Base interactions energy: -192.445
where: short stacking energy: -74.499
Base-Backbone interact. energy: -0.158
local terms energy: -85.975566
where:
bonds (distance) C4'-P energy: -20.427
bonds (distance) P-C4' energy: -22.934
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -13.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -266.191195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.191195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.191195 (E_RNA)
where:
Base-Base interactions energy: -164.633
where: short stacking energy: -66.776
Base-Backbone interact. energy: -0.226
local terms energy: -101.331848
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -18.254
tors. eta vs tors. theta energy: -18.656
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: 1
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -161.952504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.952504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.952504 (E_RNA)
where:
Base-Base interactions energy: -82.088
where: short stacking energy: -46.105
Base-Backbone interact. energy: -0.071
local terms energy: -79.793254
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -19.757
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -14.075
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: 3
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -111.133068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.133068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.133068 (E_RNA)
where:
Base-Base interactions energy: -42.519
where: short stacking energy: -42.519
Base-Backbone interact. energy: 1.688
local terms energy: -70.302277
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -22.914
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -7.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -109.893850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.893850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.893850 (E_RNA)
where:
Base-Base interactions energy: -42.195
where: short stacking energy: -30.259
Base-Backbone interact. energy: -2.044
local terms energy: -65.655409
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -13.627
tors. eta vs tors. theta energy: 2.516
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: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -104.857638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.857638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.857638 (E_RNA)
where:
Base-Base interactions energy: -40.607
where: short stacking energy: -31.953
Base-Backbone interact. energy: -0.303
local terms energy: -63.947808
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: -4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -327.477774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.477774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.477774 (E_RNA)
where:
Base-Base interactions energy: -221.943
where: short stacking energy: -95.213
Base-Backbone interact. energy: -0.986
local terms energy: -104.549282
where:
bonds (distance) C4'-P energy: -19.833
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -23.117
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -28.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -325.967818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.967818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.967818 (E_RNA)
where:
Base-Base interactions energy: -223.545
where: short stacking energy: -99.536
Base-Backbone interact. energy: -1.181
local terms energy: -101.241795
where:
bonds (distance) C4'-P energy: -21.934
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -21.390
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -28.295
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: 7
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -315.959658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.959658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.959658 (E_RNA)
where:
Base-Base interactions energy: -214.883
where: short stacking energy: -88.089
Base-Backbone interact. energy: -0.379
local terms energy: -100.697467
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -19.471
flat angles C4'-P-C4' energy: -24.140
flat angles P-C4'-P energy: -16.462
tors. eta vs tors. theta energy: -23.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -307.668079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.668079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.668079 (E_RNA)
where:
Base-Base interactions energy: -213.872
where: short stacking energy: -96.239
Base-Backbone interact. energy: 1.018
local terms energy: -94.814434
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -23.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -269.574086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.574086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.574086 (E_RNA)
where:
Base-Base interactions energy: -178.025
where: short stacking energy: -66.720
Base-Backbone interact. energy: -0.009
local terms energy: -91.540226
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -20.572
flat angles P-C4'-P energy: -16.689
tors. eta vs tors. theta energy: -18.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -251.321233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.321233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.321233 (E_RNA)
where:
Base-Base interactions energy: -163.259
where: short stacking energy: -68.810
Base-Backbone interact. energy: -0.527
local terms energy: -87.535378
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -18.379
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -14.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -172.632262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.632262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.632262 (E_RNA)
where:
Base-Base interactions energy: -107.270
where: short stacking energy: -55.646
Base-Backbone interact. energy: -0.074
local terms energy: -65.288722
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -4.407
tors. eta vs tors. theta energy: -7.528
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: 3
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -115.653528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.653528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.653528 (E_RNA)
where:
Base-Base interactions energy: -58.288
where: short stacking energy: -41.571
Base-Backbone interact. energy: -0.218
local terms energy: -57.147308
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -4.914
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: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -119.713492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.713492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.713492 (E_RNA)
where:
Base-Base interactions energy: -51.393
where: short stacking energy: -50.862
Base-Backbone interact. energy: -0.258
local terms energy: -68.063145
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -12.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -96.476732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.476732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.476732 (E_RNA)
where:
Base-Base interactions energy: -41.162
where: short stacking energy: -33.009
Base-Backbone interact. energy: -0.028
local terms energy: -55.286312
where:
bonds (distance) C4'-P energy: -17.990
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -1.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -331.111708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.111708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.111708 (E_RNA)
where:
Base-Base interactions energy: -230.106
where: short stacking energy: -100.465
Base-Backbone interact. energy: 0.149
local terms energy: -101.154750
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: -22.009
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -30.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -322.136735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.136735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.136735 (E_RNA)
where:
Base-Base interactions energy: -224.918
where: short stacking energy: -92.645
Base-Backbone interact. energy: -0.103
local terms energy: -97.115706
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -19.143
flat angles C4'-P-C4' energy: -21.606
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: -24.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -318.776155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.776155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.776155 (E_RNA)
where:
Base-Base interactions energy: -215.112
where: short stacking energy: -97.573
Base-Backbone interact. energy: 1.029
local terms energy: -104.692984
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -19.752
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: -29.828
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: 9
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -305.882293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.882293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.882293 (E_RNA)
where:
Base-Base interactions energy: -216.520
where: short stacking energy: -91.570
Base-Backbone interact. energy: -0.188
local terms energy: -89.174410
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -9.225
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: 5, replica: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -275.221875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.221875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.221875 (E_RNA)
where:
Base-Base interactions energy: -183.284
where: short stacking energy: -70.060
Base-Backbone interact. energy: -0.033
local terms energy: -91.904950
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -19.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -235.150041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.150041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.150041 (E_RNA)
where:
Base-Base interactions energy: -156.803
where: short stacking energy: -71.210
Base-Backbone interact. energy: -0.540
local terms energy: -77.806923
where:
bonds (distance) C4'-P energy: -20.171
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -11.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -184.167744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.167744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.167744 (E_RNA)
where:
Base-Base interactions energy: -105.871
where: short stacking energy: -53.625
Base-Backbone interact. energy: -0.132
local terms energy: -78.165209
where:
bonds (distance) C4'-P energy: -21.325
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -19.238
flat angles P-C4'-P energy: -13.733
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: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -101.784836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.784836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.784836 (E_RNA)
where:
Base-Base interactions energy: -32.213
where: short stacking energy: -30.617
Base-Backbone interact. energy: -0.137
local terms energy: -69.435363
where:
bonds (distance) C4'-P energy: -19.967
bonds (distance) P-C4' energy: -23.685
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -7.442
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: 9, replica: 3
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -118.958479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.958479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.958479 (E_RNA)
where:
Base-Base interactions energy: -55.640
where: short stacking energy: -45.383
Base-Backbone interact. energy: -1.320
local terms energy: -61.998547
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -4.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -129.160114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.160114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.160114 (E_RNA)
where:
Base-Base interactions energy: -45.269
where: short stacking energy: -45.269
Base-Backbone interact. energy: 0.213
local terms energy: -84.104780
where:
bonds (distance) C4'-P energy: -18.654
bonds (distance) P-C4' energy: -22.385
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -14.575
tors. eta vs tors. theta energy: -12.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -339.282854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.282854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.282854 (E_RNA)
where:
Base-Base interactions energy: -223.692
where: short stacking energy: -96.988
Base-Backbone interact. energy: -0.415
local terms energy: -115.175769
where:
bonds (distance) C4'-P energy: -22.158
bonds (distance) P-C4' energy: -23.353
flat angles C4'-P-C4' energy: -22.807
flat angles P-C4'-P energy: -17.315
tors. eta vs tors. theta energy: -29.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -324.480209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.480209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.480209 (E_RNA)
where:
Base-Base interactions energy: -221.953
where: short stacking energy: -91.480
Base-Backbone interact. energy: -0.751
local terms energy: -101.775674
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -19.795
flat angles C4'-P-C4' energy: -23.912
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -31.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -323.165538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.165538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.165538 (E_RNA)
where:
Base-Base interactions energy: -225.624
where: short stacking energy: -95.878
Base-Backbone interact. energy: -0.097
local terms energy: -97.445005
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -18.478
flat angles C4'-P-C4' energy: -21.757
flat angles P-C4'-P energy: -14.855
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: 4, replica: 5
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -306.781514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.781514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.781514 (E_RNA)
where:
Base-Base interactions energy: -210.768
where: short stacking energy: -88.270
Base-Backbone interact. energy: -0.849
local terms energy: -95.163933
where:
bonds (distance) C4'-P energy: -18.283
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -21.445
flat angles P-C4'-P energy: -14.681
tors. eta vs tors. theta energy: -23.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -296.142894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.142894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.142894 (E_RNA)
where:
Base-Base interactions energy: -203.621
where: short stacking energy: -81.337
Base-Backbone interact. energy: -0.019
local terms energy: -92.502369
where:
bonds (distance) C4'-P energy: -21.180
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -21.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -246.391072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.391072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.391072 (E_RNA)
where:
Base-Base interactions energy: -157.968
where: short stacking energy: -65.046
Base-Backbone interact. energy: -0.221
local terms energy: -88.201797
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -20.471
flat angles C4'-P-C4' energy: -19.127
flat angles P-C4'-P energy: -15.651
tors. eta vs tors. theta energy: -14.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -176.068208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.068208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.068208 (E_RNA)
where:
Base-Base interactions energy: -108.125
where: short stacking energy: -53.381
Base-Backbone interact. energy: -0.301
local terms energy: -67.641868
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -16.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -109.277201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.277201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.277201 (E_RNA)
where:
Base-Base interactions energy: -46.822
where: short stacking energy: -46.629
Base-Backbone interact. energy: -0.192
local terms energy: -62.263558
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -7.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -101.112362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.112362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.112362 (E_RNA)
where:
Base-Base interactions energy: -33.172
where: short stacking energy: -33.172
Base-Backbone interact. energy: -0.179
local terms energy: -67.761960
where:
bonds (distance) C4'-P energy: -18.625
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -3.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -94.898675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.898675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.898675 (E_RNA)
where:
Base-Base interactions energy: -30.799
where: short stacking energy: -28.797
Base-Backbone interact. energy: -0.331
local terms energy: -63.768972
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -20.532
flat angles C4'-P-C4' energy: -20.251
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: 0.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -329.540628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.540628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.540628 (E_RNA)
where:
Base-Base interactions energy: -226.114
where: short stacking energy: -98.000
Base-Backbone interact. energy: -0.580
local terms energy: -102.846297
where:
bonds (distance) C4'-P energy: -22.923
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -29.314
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: 2, replica: 9
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -318.298041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.298041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.298041 (E_RNA)
where:
Base-Base interactions energy: -218.959
where: short stacking energy: -90.070
Base-Backbone interact. energy: 0.815
local terms energy: -100.154261
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -24.568
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: -29.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -324.383013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.383013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.383013 (E_RNA)
where:
Base-Base interactions energy: -218.347
where: short stacking energy: -97.103
Base-Backbone interact. energy: 0.984
local terms energy: -107.020508
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -23.544
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -26.479
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: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -315.014735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.014735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.014735 (E_RNA)
where:
Base-Base interactions energy: -215.590
where: short stacking energy: -83.982
Base-Backbone interact. energy: -0.738
local terms energy: -98.686951
where:
bonds (distance) C4'-P energy: -20.125
bonds (distance) P-C4' energy: -19.852
flat angles C4'-P-C4' energy: -19.781
flat angles P-C4'-P energy: -14.146
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: 5, replica: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -280.806547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.806547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.806547 (E_RNA)
where:
Base-Base interactions energy: -189.483
where: short stacking energy: -76.217
Base-Backbone interact. energy: -0.571
local terms energy: -90.752949
where:
bonds (distance) C4'-P energy: -21.785
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -21.228
flat angles P-C4'-P energy: -11.197
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: 6, replica: 6
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -272.243089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.243089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.243089 (E_RNA)
where:
Base-Base interactions energy: -191.690
where: short stacking energy: -79.902
Base-Backbone interact. energy: -0.009
local terms energy: -80.544125
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -22.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -182.627834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.627834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.627834 (E_RNA)
where:
Base-Base interactions energy: -111.410
where: short stacking energy: -61.247
Base-Backbone interact. energy: 0.445
local terms energy: -71.662732
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -10.305
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: 389
Temperature: 1.250000
Total energy: -153.924757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.924757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.924757 (E_RNA)
where:
Base-Base interactions energy: -84.895
where: short stacking energy: -48.423
Base-Backbone interact. energy: 1.181
local terms energy: -70.210292
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -9.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -121.607671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.607671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.607671 (E_RNA)
where:
Base-Base interactions energy: -54.415
where: short stacking energy: -36.830
Base-Backbone interact. energy: -0.540
local terms energy: -66.652575
where:
bonds (distance) C4'-P energy: -23.373
bonds (distance) P-C4' energy: -11.283
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -6.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -109.985044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.985044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.985044 (E_RNA)
where:
Base-Base interactions energy: -47.286
where: short stacking energy: -41.673
Base-Backbone interact. energy: -0.366
local terms energy: -62.333386
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -19.341
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -316.141431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.141431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.141431 (E_RNA)
where:
Base-Base interactions energy: -212.504
where: short stacking energy: -94.610
Base-Backbone interact. energy: -0.798
local terms energy: -102.839695
where:
bonds (distance) C4'-P energy: -20.477
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -20.962
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -23.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -333.865566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.865566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.865566 (E_RNA)
where:
Base-Base interactions energy: -227.552
where: short stacking energy: -93.502
Base-Backbone interact. energy: -0.340
local terms energy: -105.973997
where:
bonds (distance) C4'-P energy: -21.288
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -20.153
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -25.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -316.304570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.304570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.304570 (E_RNA)
where:
Base-Base interactions energy: -215.098
where: short stacking energy: -86.540
Base-Backbone interact. energy: -0.172
local terms energy: -101.034328
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -19.877
flat angles C4'-P-C4' energy: -24.821
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -25.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -315.130200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.130200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.130200 (E_RNA)
where:
Base-Base interactions energy: -214.312
where: short stacking energy: -95.548
Base-Backbone interact. energy: 0.142
local terms energy: -100.960348
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -24.690
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -25.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -260.625417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.625417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.625417 (E_RNA)
where:
Base-Base interactions energy: -173.875
where: short stacking energy: -71.648
Base-Backbone interact. energy: -0.759
local terms energy: -85.992243
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -18.420
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -16.733
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: 390
Temperature: 1.150000
Total energy: -265.959928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.959928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.959928 (E_RNA)
where:
Base-Base interactions energy: -168.538
where: short stacking energy: -72.263
Base-Backbone interact. energy: -0.492
local terms energy: -96.930678
where:
bonds (distance) C4'-P energy: -21.487
bonds (distance) P-C4' energy: -23.687
flat angles C4'-P-C4' energy: -20.477
flat angles P-C4'-P energy: -12.059
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: 7, replica: 8
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -119.653454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.653454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.653454 (E_RNA)
where:
Base-Base interactions energy: -53.400
where: short stacking energy: -32.264
Base-Backbone interact. energy: -1.429
local terms energy: -64.824349
where:
bonds (distance) C4'-P energy: -21.356
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: 1.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -168.379279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.379279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.379279 (E_RNA)
where:
Base-Base interactions energy: -87.473
where: short stacking energy: -48.455
Base-Backbone interact. energy: -1.245
local terms energy: -79.661321
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -23.750
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -10.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -108.780828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.780828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.780828 (E_RNA)
where:
Base-Base interactions energy: -42.255
where: short stacking energy: -42.255
Base-Backbone interact. energy: 1.018
local terms energy: -67.543884
where:
bonds (distance) C4'-P energy: -22.059
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -109.042366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.042366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.042366 (E_RNA)
where:
Base-Base interactions energy: -41.701
where: short stacking energy: -32.498
Base-Backbone interact. energy: 2.990
local terms energy: -70.331243
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -18.878
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -1.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -326.996959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.996959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.996959 (E_RNA)
where:
Base-Base interactions energy: -223.339
where: short stacking energy: -99.648
Base-Backbone interact. energy: -0.109
local terms energy: -103.549677
where:
bonds (distance) C4'-P energy: -22.942
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -24.332
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -27.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -328.791011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.791011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.791011 (E_RNA)
where:
Base-Base interactions energy: -230.006
where: short stacking energy: -95.505
Base-Backbone interact. energy: -0.194
local terms energy: -98.591057
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -20.100
flat angles C4'-P-C4' energy: -20.471
flat angles P-C4'-P energy: -17.450
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: 3, replica: 2
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -333.762852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.762852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.762852 (E_RNA)
where:
Base-Base interactions energy: -233.307
where: short stacking energy: -91.634
Base-Backbone interact. energy: -0.801
local terms energy: -99.654918
where:
bonds (distance) C4'-P energy: -22.071
bonds (distance) P-C4' energy: -20.472
flat angles C4'-P-C4' energy: -21.185
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -21.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -308.182575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.182575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.182575 (E_RNA)
where:
Base-Base interactions energy: -208.578
where: short stacking energy: -88.378
Base-Backbone interact. energy: -0.302
local terms energy: -99.302396
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -23.835
flat angles P-C4'-P energy: -16.817
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: 5, replica: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -268.415956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.415956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.415956 (E_RNA)
where:
Base-Base interactions energy: -185.296
where: short stacking energy: -76.813
Base-Backbone interact. energy: 1.489
local terms energy: -84.608987
where:
bonds (distance) C4'-P energy: -21.129
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -18.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -272.358203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.358203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.358203 (E_RNA)
where:
Base-Base interactions energy: -187.352
where: short stacking energy: -74.153
Base-Backbone interact. energy: -0.025
local terms energy: -84.980757
where:
bonds (distance) C4'-P energy: -21.161
bonds (distance) P-C4' energy: -18.226
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -19.484
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: 8
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -132.650547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.650547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.650547 (E_RNA)
where:
Base-Base interactions energy: -55.872
where: short stacking energy: -55.872
Base-Backbone interact. energy: -0.251
local terms energy: -76.526749
where:
bonds (distance) C4'-P energy: -19.255
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -9.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -122.469885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.469885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.469885 (E_RNA)
where:
Base-Base interactions energy: -59.506
where: short stacking energy: -35.376
Base-Backbone interact. energy: -0.359
local terms energy: -62.605148
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -19.486
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -5.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -109.793689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.793689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.793689 (E_RNA)
where:
Base-Base interactions energy: -38.536
where: short stacking energy: -38.536
Base-Backbone interact. energy: 0.236
local terms energy: -71.493213
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -21.069
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -93.779494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.779494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.779494 (E_RNA)
where:
Base-Base interactions energy: -32.892
where: short stacking energy: -32.892
Base-Backbone interact. energy: -0.820
local terms energy: -60.066947
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -20.198
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: 0.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -328.939060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.939060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.939060 (E_RNA)
where:
Base-Base interactions energy: -224.677
where: short stacking energy: -96.567
Base-Backbone interact. energy: -0.621
local terms energy: -103.640833
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -21.663
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: -17.782
tors. eta vs tors. theta energy: -25.407
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: 9
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -325.604902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.604902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.604902 (E_RNA)
where:
Base-Base interactions energy: -223.356
where: short stacking energy: -90.641
Base-Backbone interact. energy: -1.814
local terms energy: -100.435570
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -22.214
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -23.746
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: 2
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -330.262121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.262121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.262121 (E_RNA)
where:
Base-Base interactions energy: -240.766
where: short stacking energy: -99.864
Base-Backbone interact. energy: -0.927
local terms energy: -88.569425
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -18.117
flat angles C4'-P-C4' energy: -19.533
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -20.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -314.596344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.596344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.596344 (E_RNA)
where:
Base-Base interactions energy: -210.110
where: short stacking energy: -87.496
Base-Backbone interact. energy: -0.116
local terms energy: -104.369993
where:
bonds (distance) C4'-P energy: -19.371
bonds (distance) P-C4' energy: -22.485
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: -27.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -279.901564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.901564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.901564 (E_RNA)
where:
Base-Base interactions energy: -193.215
where: short stacking energy: -81.007
Base-Backbone interact. energy: 3.296
local terms energy: -89.982070
where:
bonds (distance) C4'-P energy: -20.460
bonds (distance) P-C4' energy: -19.564
flat angles C4'-P-C4' energy: -20.359
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -17.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -260.100323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.100323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.100323 (E_RNA)
where:
Base-Base interactions energy: -171.855
where: short stacking energy: -68.774
Base-Backbone interact. energy: -0.510
local terms energy: -87.735187
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -19.598
flat angles C4'-P-C4' energy: -24.750
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -12.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -123.157903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.157903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.157903 (E_RNA)
where:
Base-Base interactions energy: -43.182
where: short stacking energy: -39.570
Base-Backbone interact. energy: 1.071
local terms energy: -81.047236
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -17.113
tors. eta vs tors. theta energy: -8.130
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: 1
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -114.874938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.874938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.874938 (E_RNA)
where:
Base-Base interactions energy: -46.052
where: short stacking energy: -46.052
Base-Backbone interact. energy: -0.103
local terms energy: -68.720292
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -11.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -111.669945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.669945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.669945 (E_RNA)
where:
Base-Base interactions energy: -49.575
where: short stacking energy: -22.630
Base-Backbone interact. energy: -0.563
local terms energy: -61.532286
where:
bonds (distance) C4'-P energy: -22.848
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: 4.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -110.213119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.213119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.213119 (E_RNA)
where:
Base-Base interactions energy: -46.481
where: short stacking energy: -31.355
Base-Backbone interact. energy: -0.544
local terms energy: -63.188341
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -17.630
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -2.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -327.138986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.138986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.138986 (E_RNA)
where:
Base-Base interactions energy: -225.918
where: short stacking energy: -95.084
Base-Backbone interact. energy: -0.805
local terms energy: -100.416172
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -21.391
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -28.137
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: 393
Temperature: 0.950000
Total energy: -325.176659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.176659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.176659 (E_RNA)
where:
Base-Base interactions energy: -218.188
where: short stacking energy: -99.325
Base-Backbone interact. energy: -0.146
local terms energy: -106.842611
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -24.229
flat angles C4'-P-C4' energy: -18.989
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -26.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -318.099243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.099243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.099243 (E_RNA)
where:
Base-Base interactions energy: -220.360
where: short stacking energy: -99.141
Base-Backbone interact. energy: -0.090
local terms energy: -97.649078
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -22.008
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -29.017
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: 5
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -291.693212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.693212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.693212 (E_RNA)
where:
Base-Base interactions energy: -192.537
where: short stacking energy: -86.271
Base-Backbone interact. energy: -0.012
local terms energy: -99.143773
where:
bonds (distance) C4'-P energy: -22.148
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -23.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -271.374440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.374440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.374440 (E_RNA)
where:
Base-Base interactions energy: -183.270
where: short stacking energy: -77.810
Base-Backbone interact. energy: -0.027
local terms energy: -88.077466
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -23.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -274.012865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.012865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.012865 (E_RNA)
where:
Base-Base interactions energy: -193.043
where: short stacking energy: -76.479
Base-Backbone interact. energy: -0.333
local terms energy: -80.636948
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -20.274
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -6.840
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: 7, replica: 8
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -120.761731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.761731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.761731 (E_RNA)
where:
Base-Base interactions energy: -43.617
where: short stacking energy: -34.440
Base-Backbone interact. energy: -0.107
local terms energy: -77.037310
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -7.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -129.188514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.188514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.188514 (E_RNA)
where:
Base-Base interactions energy: -59.828
where: short stacking energy: -47.422
Base-Backbone interact. energy: -0.147
local terms energy: -69.213786
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -21.677
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -9.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -112.989283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.989283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.989283 (E_RNA)
where:
Base-Base interactions energy: -50.953
where: short stacking energy: -46.533
Base-Backbone interact. energy: -0.294
local terms energy: -61.742699
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -8.126
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -6.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -108.234373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.234373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.234373 (E_RNA)
where:
Base-Base interactions energy: -46.537
where: short stacking energy: -46.537
Base-Backbone interact. energy: -0.192
local terms energy: -61.505514
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -3.452
tors. eta vs tors. theta energy: -8.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -329.481788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.481788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.481788 (E_RNA)
where:
Base-Base interactions energy: -222.999
where: short stacking energy: -95.742
Base-Backbone interact. energy: -0.024
local terms energy: -106.458965
where:
bonds (distance) C4'-P energy: -24.458
bonds (distance) P-C4' energy: -20.727
flat angles C4'-P-C4' energy: -22.410
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -29.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -331.139509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.139509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.139509 (E_RNA)
where:
Base-Base interactions energy: -218.558
where: short stacking energy: -96.221
Base-Backbone interact. energy: -0.131
local terms energy: -112.450723
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -21.442
flat angles C4'-P-C4' energy: -21.608
flat angles P-C4'-P energy: -17.279
tors. eta vs tors. theta energy: -32.500
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: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -321.996784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.996784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.996784 (E_RNA)
where:
Base-Base interactions energy: -217.167
where: short stacking energy: -101.098
Base-Backbone interact. energy: -0.069
local terms energy: -104.760923
where:
bonds (distance) C4'-P energy: -22.183
bonds (distance) P-C4' energy: -21.095
flat angles C4'-P-C4' energy: -20.619
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -26.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -299.515211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.515211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.515211 (E_RNA)
where:
Base-Base interactions energy: -200.434
where: short stacking energy: -80.645
Base-Backbone interact. energy: -1.124
local terms energy: -97.957446
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -23.380
flat angles C4'-P-C4' energy: -18.982
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -26.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -278.689294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.689294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.689294 (E_RNA)
where:
Base-Base interactions energy: -191.813
where: short stacking energy: -78.010
Base-Backbone interact. energy: -0.240
local terms energy: -86.636767
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -17.603
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -24.155
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: 6
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -262.117666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.117666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.117666 (E_RNA)
where:
Base-Base interactions energy: -187.442
where: short stacking energy: -69.874
Base-Backbone interact. energy: 0.526
local terms energy: -75.201915
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -18.331
flat angles C4'-P-C4' energy: -21.785
flat angles P-C4'-P energy: -5.484
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: 7, replica: 10
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -121.802757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.802757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.802757 (E_RNA)
where:
Base-Base interactions energy: -57.156
where: short stacking energy: -52.344
Base-Backbone interact. energy: -1.214
local terms energy: -63.432644
where:
bonds (distance) C4'-P energy: -19.296
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -20.352
flat angles P-C4'-P energy: -1.770
tors. eta vs tors. theta energy: -9.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -157.259908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.259908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.259908 (E_RNA)
where:
Base-Base interactions energy: -88.908
where: short stacking energy: -37.537
Base-Backbone interact. energy: -1.023
local terms energy: -67.328915
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -7.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -105.611300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.611300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.611300 (E_RNA)
where:
Base-Base interactions energy: -40.453
where: short stacking energy: -41.016
Base-Backbone interact. energy: -0.161
local terms energy: -64.997334
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -20.595
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -12.770
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: 10, replica: 1
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -98.063087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.063087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.063087 (E_RNA)
where:
Base-Base interactions energy: -42.557
where: short stacking energy: -42.557
Base-Backbone interact. energy: -0.203
local terms energy: -55.303611
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -8.413
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -5.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -330.672713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.672713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.672713 (E_RNA)
where:
Base-Base interactions energy: -223.267
where: short stacking energy: -90.054
Base-Backbone interact. energy: -0.120
local terms energy: -107.285929
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -20.800
flat angles C4'-P-C4' energy: -22.464
flat angles P-C4'-P energy: -16.462
tors. eta vs tors. theta energy: -27.262
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: 2, replica: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -324.220816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.220816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.220816 (E_RNA)
where:
Base-Base interactions energy: -225.661
where: short stacking energy: -100.604
Base-Backbone interact. energy: 0.215
local terms energy: -98.774756
where:
bonds (distance) C4'-P energy: -19.500
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -21.774
flat angles P-C4'-P energy: -13.571
tors. eta vs tors. theta energy: -25.128
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: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -309.510667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.510667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.510667 (E_RNA)
where:
Base-Base interactions energy: -208.759
where: short stacking energy: -90.711
Base-Backbone interact. energy: -0.241
local terms energy: -100.510741
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -27.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -309.502525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.502525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.502525 (E_RNA)
where:
Base-Base interactions energy: -205.896
where: short stacking energy: -87.770
Base-Backbone interact. energy: -0.594
local terms energy: -103.012578
where:
bonds (distance) C4'-P energy: -21.702
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -24.129
flat angles P-C4'-P energy: -13.573
tors. eta vs tors. theta energy: -28.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -251.475300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.475300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.475300 (E_RNA)
where:
Base-Base interactions energy: -172.088
where: short stacking energy: -61.923
Base-Backbone interact. energy: -0.398
local terms energy: -78.989377
where:
bonds (distance) C4'-P energy: -19.024
bonds (distance) P-C4' energy: -20.142
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -12.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -245.603309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.603309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.603309 (E_RNA)
where:
Base-Base interactions energy: -164.109
where: short stacking energy: -62.450
Base-Backbone interact. energy: -0.283
local terms energy: -81.210901
where:
bonds (distance) C4'-P energy: -20.958
bonds (distance) P-C4' energy: -22.505
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -9.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -147.825084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.825084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.825084 (E_RNA)
where:
Base-Base interactions energy: -74.397
where: short stacking energy: -35.722
Base-Backbone interact. energy: -0.882
local terms energy: -72.545735
where:
bonds (distance) C4'-P energy: -23.216
bonds (distance) P-C4' energy: -20.387
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -2.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -170.210624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.210624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.210624 (E_RNA)
where:
Base-Base interactions energy: -95.502
where: short stacking energy: -49.751
Base-Backbone interact. energy: -0.131
local terms energy: -74.577322
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -23.236
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -8.822
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: 3
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -120.717393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.717393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.717393 (E_RNA)
where:
Base-Base interactions energy: -42.884
where: short stacking energy: -38.407
Base-Backbone interact. energy: -0.459
local terms energy: -77.374573
where:
bonds (distance) C4'-P energy: -18.775
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -20.603
flat angles P-C4'-P energy: -16.572
tors. eta vs tors. theta energy: -1.749
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: 395
Temperature: 1.350000
Total energy: -111.790409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.790409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.790409 (E_RNA)
where:
Base-Base interactions energy: -39.556
where: short stacking energy: -34.516
Base-Backbone interact. energy: 0.514
local terms energy: -72.748342
where:
bonds (distance) C4'-P energy: -22.120
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -338.999239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.999239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.999239 (E_RNA)
where:
Base-Base interactions energy: -232.922
where: short stacking energy: -101.607
Base-Backbone interact. energy: 0.138
local terms energy: -106.214459
where:
bonds (distance) C4'-P energy: -22.582
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -24.190
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -24.500
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: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -317.494186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.494186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.494186 (E_RNA)
where:
Base-Base interactions energy: -216.630
where: short stacking energy: -92.657
Base-Backbone interact. energy: 1.963
local terms energy: -102.827804
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -21.234
flat angles C4'-P-C4' energy: -21.251
flat angles P-C4'-P energy: -16.642
tors. eta vs tors. theta energy: -27.701
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: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -316.433712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.433712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.433712 (E_RNA)
where:
Base-Base interactions energy: -209.110
where: short stacking energy: -88.931
Base-Backbone interact. energy: -0.115
local terms energy: -107.208536
where:
bonds (distance) C4'-P energy: -22.162
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -22.812
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -28.348
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: 5
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -318.010952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.010952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.010952 (E_RNA)
where:
Base-Base interactions energy: -217.405
where: short stacking energy: -98.067
Base-Backbone interact. energy: -0.140
local terms energy: -100.466611
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -20.812
flat angles P-C4'-P energy: -14.722
tors. eta vs tors. theta energy: -28.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -265.661340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.661340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.661340 (E_RNA)
where:
Base-Base interactions energy: -176.076
where: short stacking energy: -75.929
Base-Backbone interact. energy: -0.103
local terms energy: -89.481879
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -20.731
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -6.814
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: 6, replica: 4
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -256.569365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.569365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.569365 (E_RNA)
where:
Base-Base interactions energy: -176.638
where: short stacking energy: -70.145
Base-Backbone interact. energy: -1.173
local terms energy: -78.758504
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -20.839
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -12.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -160.510904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.510904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.510904 (E_RNA)
where:
Base-Base interactions energy: -86.551
where: short stacking energy: -54.573
Base-Backbone interact. energy: -0.010
local terms energy: -73.949886
where:
bonds (distance) C4'-P energy: -20.736
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -10.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -100.521485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.521485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.521485 (E_RNA)
where:
Base-Base interactions energy: -30.804
where: short stacking energy: -22.802
Base-Backbone interact. energy: -0.075
local terms energy: -69.642746
where:
bonds (distance) C4'-P energy: -20.909
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -20.501
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: 0.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -109.447080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.447080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.447080 (E_RNA)
where:
Base-Base interactions energy: -44.764
where: short stacking energy: -33.888
Base-Backbone interact. energy: -0.163
local terms energy: -64.520205
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -20.999
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: 1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -113.296278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.296278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.296278 (E_RNA)
where:
Base-Base interactions energy: -48.358
where: short stacking energy: -39.806
Base-Backbone interact. energy: 0.645
local terms energy: -65.582922
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -4.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -335.926935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.926935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.926935 (E_RNA)
where:
Base-Base interactions energy: -227.532
where: short stacking energy: -98.225
Base-Backbone interact. energy: -0.564
local terms energy: -107.830159
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -22.636
flat angles C4'-P-C4' energy: -22.389
flat angles P-C4'-P energy: -17.819
tors. eta vs tors. theta energy: -25.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -327.926262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.926262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.926262 (E_RNA)
where:
Base-Base interactions energy: -224.510
where: short stacking energy: -96.350
Base-Backbone interact. energy: 0.925
local terms energy: -104.341978
where:
bonds (distance) C4'-P energy: -22.426
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -20.016
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: -25.955
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: 397
Temperature: 1.000000
Total energy: -311.709216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.709216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.709216 (E_RNA)
where:
Base-Base interactions energy: -216.580
where: short stacking energy: -91.550
Base-Backbone interact. energy: -0.131
local terms energy: -94.999156
where:
bonds (distance) C4'-P energy: -19.681
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -11.931
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: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -309.625982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.625982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.625982 (E_RNA)
where:
Base-Base interactions energy: -218.790
where: short stacking energy: -86.722
Base-Backbone interact. energy: -0.370
local terms energy: -90.465363
where:
bonds (distance) C4'-P energy: -21.673
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -16.270
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: 5, replica: 6
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -271.532098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.532098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.532098 (E_RNA)
where:
Base-Base interactions energy: -175.997
where: short stacking energy: -72.653
Base-Backbone interact. energy: -0.017
local terms energy: -95.517904
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -24.654
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -18.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -245.368559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.368559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.368559 (E_RNA)
where:
Base-Base interactions energy: -172.606
where: short stacking energy: -69.043
Base-Backbone interact. energy: -0.425
local terms energy: -72.337551
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -20.388
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -9.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -200.331047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.331047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.331047 (E_RNA)
where:
Base-Base interactions energy: -117.643
where: short stacking energy: -49.176
Base-Backbone interact. energy: -1.616
local terms energy: -81.072115
where:
bonds (distance) C4'-P energy: -18.504
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -21.794
flat angles P-C4'-P energy: -9.896
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: 8, replica: 8
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -142.119833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.119833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.119833 (E_RNA)
where:
Base-Base interactions energy: -88.912
where: short stacking energy: -35.851
Base-Backbone interact. energy: -0.451
local terms energy: -52.756779
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -1.919
tors. eta vs tors. theta energy: -4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -110.666736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.666736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.666736 (E_RNA)
where:
Base-Base interactions energy: -40.806
where: short stacking energy: -30.715
Base-Backbone interact. energy: -0.345
local terms energy: -69.516292
where:
bonds (distance) C4'-P energy: -21.019
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -15.967
tors. eta vs tors. theta energy: -2.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -103.073888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.073888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.073888 (E_RNA)
where:
Base-Base interactions energy: -44.482
where: short stacking energy: -39.584
Base-Backbone interact. energy: 0.026
local terms energy: -58.617594
where:
bonds (distance) C4'-P energy: -21.043
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -3.864
tors. eta vs tors. theta energy: -2.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -336.032065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.032065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.032065 (E_RNA)
where:
Base-Base interactions energy: -229.747
where: short stacking energy: -99.853
Base-Backbone interact. energy: -0.373
local terms energy: -105.911922
where:
bonds (distance) C4'-P energy: -21.694
bonds (distance) P-C4' energy: -21.813
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -15.213
tors. eta vs tors. theta energy: -28.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -328.948736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.948736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.948736 (E_RNA)
where:
Base-Base interactions energy: -224.863
where: short stacking energy: -94.735
Base-Backbone interact. energy: -0.195
local terms energy: -103.890696
where:
bonds (distance) C4'-P energy: -22.422
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -28.823
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: 7
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -324.650902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.650902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.650902 (E_RNA)
where:
Base-Base interactions energy: -221.433
where: short stacking energy: -94.428
Base-Backbone interact. energy: -0.252
local terms energy: -102.966624
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -23.239
flat angles C4'-P-C4' energy: -19.883
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -27.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -300.744188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.744188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.744188 (E_RNA)
where:
Base-Base interactions energy: -213.857
where: short stacking energy: -88.368
Base-Backbone interact. energy: -0.214
local terms energy: -86.672691
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -21.979
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -18.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -273.661286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.661286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.661286 (E_RNA)
where:
Base-Base interactions energy: -181.642
where: short stacking energy: -77.657
Base-Backbone interact. energy: 0.738
local terms energy: -92.756889
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -20.260
flat angles C4'-P-C4' energy: -19.506
flat angles P-C4'-P energy: -15.946
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: 6
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -265.503962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.503962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.503962 (E_RNA)
where:
Base-Base interactions energy: -181.011
where: short stacking energy: -77.629
Base-Backbone interact. energy: -0.098
local terms energy: -84.394923
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -20.338
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -152.406870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.406870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.406870 (E_RNA)
where:
Base-Base interactions energy: -79.428
where: short stacking energy: -48.538
Base-Backbone interact. energy: -0.088
local terms energy: -72.891323
where:
bonds (distance) C4'-P energy: -18.734
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -9.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -235.322241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.322241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.322241 (E_RNA)
where:
Base-Base interactions energy: -147.321
where: short stacking energy: -77.669
Base-Backbone interact. energy: -0.203
local terms energy: -87.798066
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -22.622
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -17.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -103.584623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.584623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.584623 (E_RNA)
where:
Base-Base interactions energy: -45.417
where: short stacking energy: -34.749
Base-Backbone interact. energy: 0.018
local terms energy: -58.185447
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -3.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -96.619044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.619044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.619044 (E_RNA)
where:
Base-Base interactions energy: -43.779
where: short stacking energy: -43.779
Base-Backbone interact. energy: -0.319
local terms energy: -52.521534
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: -2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -334.652860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.652860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.652860 (E_RNA)
where:
Base-Base interactions energy: -223.794
where: short stacking energy: -102.960
Base-Backbone interact. energy: -0.296
local terms energy: -110.563331
where:
bonds (distance) C4'-P energy: -19.865
bonds (distance) P-C4' energy: -23.775
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -17.133
tors. eta vs tors. theta energy: -28.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -329.246261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.246261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.246261 (E_RNA)
where:
Base-Base interactions energy: -223.870
where: short stacking energy: -97.680
Base-Backbone interact. energy: -0.182
local terms energy: -105.194011
where:
bonds (distance) C4'-P energy: -22.741
bonds (distance) P-C4' energy: -20.099
flat angles C4'-P-C4' energy: -21.103
flat angles P-C4'-P energy: -16.996
tors. eta vs tors. theta energy: -24.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -324.582903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.582903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.582903 (E_RNA)
where:
Base-Base interactions energy: -219.639
where: short stacking energy: -97.162
Base-Backbone interact. energy: -0.077
local terms energy: -104.866397
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -23.399
flat angles P-C4'-P energy: -18.694
tors. eta vs tors. theta energy: -27.946
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: 5
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -310.911137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.911137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.911137 (E_RNA)
where:
Base-Base interactions energy: -208.341
where: short stacking energy: -83.389
Base-Backbone interact. energy: 0.651
local terms energy: -103.221343
where:
bonds (distance) C4'-P energy: -22.322
bonds (distance) P-C4' energy: -22.823
flat angles C4'-P-C4' energy: -23.501
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -23.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -267.622384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.622384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.622384 (E_RNA)
where:
Base-Base interactions energy: -183.592
where: short stacking energy: -69.557
Base-Backbone interact. energy: 0.068
local terms energy: -84.098537
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -21.069
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -15.006
tors. eta vs tors. theta energy: -13.724
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: 6
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -271.949090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.949090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.949090 (E_RNA)
where:
Base-Base interactions energy: -179.444
where: short stacking energy: -70.162
Base-Backbone interact. energy: -0.070
local terms energy: -92.434836
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -21.490
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -22.397
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: 399
Temperature: 1.200000
Total energy: -112.423177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.423177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.423177 (E_RNA)
where:
Base-Base interactions energy: -40.534
where: short stacking energy: -36.174
Base-Backbone interact. energy: -0.247
local terms energy: -71.642845
where:
bonds (distance) C4'-P energy: -22.492
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -19.384
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -2.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -217.811459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.811459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.811459 (E_RNA)
where:
Base-Base interactions energy: -140.647
where: short stacking energy: -63.705
Base-Backbone interact. energy: -0.181
local terms energy: -76.984030
where:
bonds (distance) C4'-P energy: -17.927
bonds (distance) P-C4' energy: -11.469
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -15.128
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -124.610185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.610185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.610185 (E_RNA)
where:
Base-Base interactions energy: -53.019
where: short stacking energy: -46.893
Base-Backbone interact. energy: -0.791
local terms energy: -70.800065
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -20.294
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -6.428
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: 10, replica: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -104.455334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.455334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.455334 (E_RNA)
where:
Base-Base interactions energy: -44.482
where: short stacking energy: -44.482
Base-Backbone interact. energy: -0.099
local terms energy: -59.874912
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -18.747
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -4.573
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: 1, replica: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -333.601287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.601287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.601287 (E_RNA)
where:
Base-Base interactions energy: -231.164
where: short stacking energy: -102.390
Base-Backbone interact. energy: -0.079
local terms energy: -102.358249
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -22.031
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -26.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -327.533788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.533788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.533788 (E_RNA)
where:
Base-Base interactions energy: -219.875
where: short stacking energy: -100.672
Base-Backbone interact. energy: -0.857
local terms energy: -106.800969
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -20.058
flat angles C4'-P-C4' energy: -22.514
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -27.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -317.311852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.311852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.311852 (E_RNA)
where:
Base-Base interactions energy: -215.076
where: short stacking energy: -88.758
Base-Backbone interact. energy: -1.786
local terms energy: -100.449826
where:
bonds (distance) C4'-P energy: -21.056
bonds (distance) P-C4' energy: -19.836
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -14.634
tors. eta vs tors. theta energy: -21.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -320.903032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.903032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.903032 (E_RNA)
where:
Base-Base interactions energy: -217.820
where: short stacking energy: -97.414
Base-Backbone interact. energy: -0.601
local terms energy: -102.482115
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -25.207
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: -28.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -271.368140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.368140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.368140 (E_RNA)
where:
Base-Base interactions energy: -191.298
where: short stacking energy: -66.512
Base-Backbone interact. energy: 2.329
local terms energy: -82.399132
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -17.169
tors. eta vs tors. theta energy: -14.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -272.415591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.415591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.415591 (E_RNA)
where:
Base-Base interactions energy: -186.931
where: short stacking energy: -79.549
Base-Backbone interact. energy: -0.716
local terms energy: -84.768493
where:
bonds (distance) C4'-P energy: -18.275
bonds (distance) P-C4' energy: -14.093
flat angles C4'-P-C4' energy: -19.274
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -20.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -220.664134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.664134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.664134 (E_RNA)
where:
Base-Base interactions energy: -136.090
where: short stacking energy: -61.968
Base-Backbone interact. energy: -0.088
local terms energy: -84.486168
where:
bonds (distance) C4'-P energy: -17.698
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -19.209
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -18.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -107.999655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.999655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.999655 (E_RNA)
where:
Base-Base interactions energy: -53.270
where: short stacking energy: -43.183
Base-Backbone interact. energy: -0.425
local terms energy: -54.305386
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -4.514
tors. eta vs tors. theta energy: -4.514
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: 1
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -109.743819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.743819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.743819 (E_RNA)
where:
Base-Base interactions energy: -50.595
where: short stacking energy: -45.596
Base-Backbone interact. energy: -0.108
local terms energy: -59.040822
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -5.620
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: 3
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -103.087599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.087599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.087599 (E_RNA)
where:
Base-Base interactions energy: -37.005
where: short stacking energy: -31.640
Base-Backbone interact. energy: -0.583
local terms energy: -65.499138
where:
bonds (distance) C4'-P energy: -21.012
bonds (distance) P-C4' energy: -19.201
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: 2.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -332.951032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.951032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.951032 (E_RNA)
where:
Base-Base interactions energy: -236.932
where: short stacking energy: -97.117
Base-Backbone interact. energy: -0.505
local terms energy: -95.514342
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -21.679
flat angles C4'-P-C4' energy: -20.482
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: -26.290
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: 2, replica: 9
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -330.817521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.817521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.817521 (E_RNA)
where:
Base-Base interactions energy: -229.543
where: short stacking energy: -102.776
Base-Backbone interact. energy: -0.300
local terms energy: -100.974530
where:
bonds (distance) C4'-P energy: -19.494
bonds (distance) P-C4' energy: -17.758
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -17.174
tors. eta vs tors. theta energy: -26.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -319.270859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.270859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.270859 (E_RNA)
where:
Base-Base interactions energy: -213.238
where: short stacking energy: -89.277
Base-Backbone interact. energy: -0.170
local terms energy: -105.863458
where:
bonds (distance) C4'-P energy: -21.399
bonds (distance) P-C4' energy: -23.437
flat angles C4'-P-C4' energy: -20.595
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -25.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -315.475502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.475502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.475502 (E_RNA)
where:
Base-Base interactions energy: -212.597
where: short stacking energy: -91.536
Base-Backbone interact. energy: 0.535
local terms energy: -103.413199
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -21.340
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -29.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -275.948055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.948055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.948055 (E_RNA)
where:
Base-Base interactions energy: -190.657
where: short stacking energy: -70.793
Base-Backbone interact. energy: -0.620
local terms energy: -84.671120
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -20.379
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -276.124576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.124576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.124576 (E_RNA)
where:
Base-Base interactions energy: -177.824
where: short stacking energy: -76.849
Base-Backbone interact. energy: -1.248
local terms energy: -97.052936
where:
bonds (distance) C4'-P energy: -20.161
bonds (distance) P-C4' energy: -20.095
flat angles C4'-P-C4' energy: -19.017
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -24.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -233.407050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.407050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.407050 (E_RNA)
where:
Base-Base interactions energy: -146.611
where: short stacking energy: -65.956
Base-Backbone interact. energy: -0.066
local terms energy: -86.730476
where:
bonds (distance) C4'-P energy: -18.371
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -15.091
tors. eta vs tors. theta energy: -17.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -116.012680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.012680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.012680 (E_RNA)
where:
Base-Base interactions energy: -41.212
where: short stacking energy: -40.698
Base-Backbone interact. energy: 0.591
local terms energy: -75.391812
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -19.029
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -10.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -101.331980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.331980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.331980 (E_RNA)
where:
Base-Base interactions energy: -53.280
where: short stacking energy: -36.232
Base-Backbone interact. energy: -0.948
local terms energy: -47.104009
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: 5.044
tors. eta vs tors. theta energy: -4.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -106.383101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.383101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.383101 (E_RNA)
where:
Base-Base interactions energy: -35.019
where: short stacking energy: -32.864
Base-Backbone interact. energy: -0.208
local terms energy: -71.156465
where:
bonds (distance) C4'-P energy: -21.593
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -0.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -331.577041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.577041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.577041 (E_RNA)
where:
Base-Base interactions energy: -228.887
where: short stacking energy: -95.532
Base-Backbone interact. energy: -0.155
local terms energy: -102.535292
where:
bonds (distance) C4'-P energy: -22.067
bonds (distance) P-C4' energy: -19.948
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -27.626
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: 7
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -326.240958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.240958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.240958 (E_RNA)
where:
Base-Base interactions energy: -230.058
where: short stacking energy: -102.069
Base-Backbone interact. energy: -0.132
local terms energy: -96.051246
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -22.716
flat angles C4'-P-C4' energy: -21.564
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -27.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -322.439700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.439700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.439700 (E_RNA)
where:
Base-Base interactions energy: -214.575
where: short stacking energy: -96.285
Base-Backbone interact. energy: -0.314
local terms energy: -107.550911
where:
bonds (distance) C4'-P energy: -22.414
bonds (distance) P-C4' energy: -20.164
flat angles C4'-P-C4' energy: -22.060
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -29.972
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: 5
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -316.549143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.549143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.549143 (E_RNA)
where:
Base-Base interactions energy: -217.629
where: short stacking energy: -93.154
Base-Backbone interact. energy: -0.232
local terms energy: -98.688316
where:
bonds (distance) C4'-P energy: -19.822
bonds (distance) P-C4' energy: -17.581
flat angles C4'-P-C4' energy: -20.322
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -28.325
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: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -276.572607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.572607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.572607 (E_RNA)
where:
Base-Base interactions energy: -194.287
where: short stacking energy: -77.675
Base-Backbone interact. energy: -0.230
local terms energy: -82.055386
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -21.535
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -19.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -268.266396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.266396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.266396 (E_RNA)
where:
Base-Base interactions energy: -175.430
where: short stacking energy: -71.226
Base-Backbone interact. energy: -0.058
local terms energy: -92.778460
where:
bonds (distance) C4'-P energy: -21.599
bonds (distance) P-C4' energy: -23.386
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -21.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -245.229313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.229313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.229313 (E_RNA)
where:
Base-Base interactions energy: -162.913
where: short stacking energy: -81.929
Base-Backbone interact. energy: -0.011
local terms energy: -82.305391
where:
bonds (distance) C4'-P energy: -19.376
bonds (distance) P-C4' energy: -18.914
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -17.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -116.898413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.898413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.898413 (E_RNA)
where:
Base-Base interactions energy: -53.391
where: short stacking energy: -44.723
Base-Backbone interact. energy: -0.072
local terms energy: -63.435753
where:
bonds (distance) C4'-P energy: -21.258
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: -7.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -101.158626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.158626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.158626 (E_RNA)
where:
Base-Base interactions energy: -33.535
where: short stacking energy: -30.294
Base-Backbone interact. energy: 0.860
local terms energy: -68.483340
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -5.690
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: 10, replica: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -95.927212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.927212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.927212 (E_RNA)
where:
Base-Base interactions energy: -30.637
where: short stacking energy: -30.637
Base-Backbone interact. energy: -0.095
local terms energy: -65.195151
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: 1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -331.037514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.037514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.037514 (E_RNA)
where:
Base-Base interactions energy: -224.363
where: short stacking energy: -96.180
Base-Backbone interact. energy: 0.163
local terms energy: -106.837330
where:
bonds (distance) C4'-P energy: -18.183
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -23.268
flat angles P-C4'-P energy: -18.677
tors. eta vs tors. theta energy: -26.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -329.008630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.008630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.008630 (E_RNA)
where:
Base-Base interactions energy: -221.570
where: short stacking energy: -101.805
Base-Backbone interact. energy: -0.996
local terms energy: -106.442553
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -20.221
flat angles C4'-P-C4' energy: -20.514
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -31.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -322.656072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.656072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.656072 (E_RNA)
where:
Base-Base interactions energy: -219.782
where: short stacking energy: -92.440
Base-Backbone interact. energy: -0.615
local terms energy: -102.258432
where:
bonds (distance) C4'-P energy: -20.401
bonds (distance) P-C4' energy: -21.342
flat angles C4'-P-C4' energy: -20.639
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -26.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -304.565372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.565372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.565372 (E_RNA)
where:
Base-Base interactions energy: -213.040
where: short stacking energy: -91.125
Base-Backbone interact. energy: -0.923
local terms energy: -90.602529
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -16.609
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -24.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -291.409970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.409970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.409970 (E_RNA)
where:
Base-Base interactions energy: -206.200
where: short stacking energy: -81.009
Base-Backbone interact. energy: 0.215
local terms energy: -85.425050
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -17.991
flat angles C4'-P-C4' energy: -23.403
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -20.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -228.429362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.429362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.429362 (E_RNA)
where:
Base-Base interactions energy: -144.566
where: short stacking energy: -59.471
Base-Backbone interact. energy: 1.275
local terms energy: -85.138471
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -20.935
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -16.159
tors. eta vs tors. theta energy: -15.494
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: 4
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -250.544131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.544131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.544131 (E_RNA)
where:
Base-Base interactions energy: -170.586
where: short stacking energy: -65.950
Base-Backbone interact. energy: -0.440
local terms energy: -79.517840
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -10.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -120.740789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.740789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.740789 (E_RNA)
where:
Base-Base interactions energy: -47.345
where: short stacking energy: -44.536
Base-Backbone interact. energy: -0.317
local terms energy: -73.079013
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -22.917
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -7.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -174.852376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.852376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.852376 (E_RNA)
where:
Base-Base interactions energy: -101.107
where: short stacking energy: -56.180
Base-Backbone interact. energy: 0.159
local terms energy: -73.904243
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -14.653
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: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -100.773497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.773497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.773497 (E_RNA)
where:
Base-Base interactions energy: -39.237
where: short stacking energy: -36.534
Base-Backbone interact. energy: -0.096
local terms energy: -61.440045
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -23.240
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -5.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -332.525084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.525084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.525084 (E_RNA)
where:
Base-Base interactions energy: -225.022
where: short stacking energy: -96.189
Base-Backbone interact. energy: -0.690
local terms energy: -106.813445
where:
bonds (distance) C4'-P energy: -21.337
bonds (distance) P-C4' energy: -19.420
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -16.309
tors. eta vs tors. theta energy: -30.349
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: 9
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -329.987102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.987102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.987102 (E_RNA)
where:
Base-Base interactions energy: -221.769
where: short stacking energy: -94.739
Base-Backbone interact. energy: -0.233
local terms energy: -107.984949
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -23.326
flat angles C4'-P-C4' energy: -22.725
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: -27.553
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: 7
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -319.637656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.637656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.637656 (E_RNA)
where:
Base-Base interactions energy: -222.777
where: short stacking energy: -96.037
Base-Backbone interact. energy: -0.083
local terms energy: -96.777916
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -27.896
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: 5
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -314.939229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.939229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.939229 (E_RNA)
where:
Base-Base interactions energy: -214.041
where: short stacking energy: -93.741
Base-Backbone interact. energy: -0.688
local terms energy: -100.209686
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -24.206
flat angles C4'-P-C4' energy: -23.010
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -27.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -271.519241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.519241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.519241 (E_RNA)
where:
Base-Base interactions energy: -190.769
where: short stacking energy: -75.706
Base-Backbone interact. energy: -0.314
local terms energy: -80.436666
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -19.526
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -17.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -236.180217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.180217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.180217 (E_RNA)
where:
Base-Base interactions energy: -144.029
where: short stacking energy: -71.455
Base-Backbone interact. energy: 0.485
local terms energy: -92.636135
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -21.993
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -16.714
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: 7, replica: 4
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -220.367056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.367056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.367056 (E_RNA)
where:
Base-Base interactions energy: -149.378
where: short stacking energy: -55.542
Base-Backbone interact. energy: -0.312
local terms energy: -70.676815
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -10.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -111.309456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.309456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.309456 (E_RNA)
where:
Base-Base interactions energy: -41.728
where: short stacking energy: -36.025
Base-Backbone interact. energy: -0.153
local terms energy: -69.428927
where:
bonds (distance) C4'-P energy: -16.846
bonds (distance) P-C4' energy: -19.856
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -14.016
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: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -198.538235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.538235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.538235 (E_RNA)
where:
Base-Base interactions energy: -125.873
where: short stacking energy: -60.394
Base-Backbone interact. energy: -0.582
local terms energy: -72.082520
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -12.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -99.160032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.160032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.160032 (E_RNA)
where:
Base-Base interactions energy: -33.982
where: short stacking energy: -30.956
Base-Backbone interact. energy: -1.066
local terms energy: -64.112656
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -8.382
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: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -343.328807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.328807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.328807 (E_RNA)
where:
Base-Base interactions energy: -224.616
where: short stacking energy: -102.018
Base-Backbone interact. energy: 0.939
local terms energy: -119.652285
where:
bonds (distance) C4'-P energy: -24.777
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -25.397
flat angles P-C4'-P energy: -15.941
tors. eta vs tors. theta energy: -30.528
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: 2, replica: 9
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -323.610516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.610516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.610516 (E_RNA)
where:
Base-Base interactions energy: -224.158
where: short stacking energy: -94.580
Base-Backbone interact. energy: 0.833
local terms energy: -100.285226
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -21.843
flat angles C4'-P-C4' energy: -22.898
flat angles P-C4'-P energy: -14.884
tors. eta vs tors. theta energy: -24.259
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: 3, replica: 7
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -302.961547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.961547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.961547 (E_RNA)
where:
Base-Base interactions energy: -211.862
where: short stacking energy: -90.210
Base-Backbone interact. energy: -0.043
local terms energy: -91.056793
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -18.617
flat angles C4'-P-C4' energy: -23.044
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -20.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -291.900888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.900888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.900888 (E_RNA)
where:
Base-Base interactions energy: -206.323
where: short stacking energy: -79.758
Base-Backbone interact. energy: -0.575
local terms energy: -85.002589
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -21.298
flat angles P-C4'-P energy: -13.800
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: 5, replica: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -267.619279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.619279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.619279 (E_RNA)
where:
Base-Base interactions energy: -180.032
where: short stacking energy: -75.124
Base-Backbone interact. energy: 0.294
local terms energy: -87.880458
where:
bonds (distance) C4'-P energy: -22.440
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -21.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -239.656493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.656493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.656493 (E_RNA)
where:
Base-Base interactions energy: -153.028
where: short stacking energy: -70.192
Base-Backbone interact. energy: -0.086
local terms energy: -86.542771
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -18.012
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -18.249
tors. eta vs tors. theta energy: -19.630
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: 4
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -229.305320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.305320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.305320 (E_RNA)
where:
Base-Base interactions energy: -139.825
where: short stacking energy: -60.064
Base-Backbone interact. energy: -0.691
local terms energy: -88.788970
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -20.901
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -15.874
tors. eta vs tors. theta energy: -14.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -171.004916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.004916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.004916 (E_RNA)
where:
Base-Base interactions energy: -100.238
where: short stacking energy: -44.432
Base-Backbone interact. energy: -0.070
local terms energy: -70.696474
where:
bonds (distance) C4'-P energy: -22.058
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -9.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -105.899366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.899366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.899366 (E_RNA)
where:
Base-Base interactions energy: -39.772
where: short stacking energy: -31.279
Base-Backbone interact. energy: 0.917
local terms energy: -67.044242
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -18.559
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -99.826525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.826525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.826525 (E_RNA)
where:
Base-Base interactions energy: -38.607
where: short stacking energy: -10.355
Base-Backbone interact. energy: -1.586
local terms energy: -59.633417
where:
bonds (distance) C4'-P energy: -22.795
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: 6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -326.727315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.727315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.727315 (E_RNA)
where:
Base-Base interactions energy: -222.359
where: short stacking energy: -98.231
Base-Backbone interact. energy: -0.822
local terms energy: -103.546604
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -20.685
flat angles C4'-P-C4' energy: -23.483
flat angles P-C4'-P energy: -19.494
tors. eta vs tors. theta energy: -29.806
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: 9
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -317.889494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.889494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.889494 (E_RNA)
where:
Base-Base interactions energy: -219.526
where: short stacking energy: -93.665
Base-Backbone interact. energy: 0.704
local terms energy: -99.067858
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -19.843
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -17.516
tors. eta vs tors. theta energy: -24.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -313.412192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.412192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.412192 (E_RNA)
where:
Base-Base interactions energy: -214.405
where: short stacking energy: -78.744
Base-Backbone interact. energy: -0.190
local terms energy: -98.817756
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -20.051
flat angles C4'-P-C4' energy: -18.759
flat angles P-C4'-P energy: -15.573
tors. eta vs tors. theta energy: -23.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -305.298756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.298756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.298756 (E_RNA)
where:
Base-Base interactions energy: -210.872
where: short stacking energy: -82.456
Base-Backbone interact. energy: -0.562
local terms energy: -93.864682
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -23.592
flat angles C4'-P-C4' energy: -22.893
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -19.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -270.786209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.786209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.786209 (E_RNA)
where:
Base-Base interactions energy: -179.075
where: short stacking energy: -77.880
Base-Backbone interact. energy: 2.094
local terms energy: -93.805614
where:
bonds (distance) C4'-P energy: -21.537
bonds (distance) P-C4' energy: -20.262
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -24.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -225.519592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.519592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.519592 (E_RNA)
where:
Base-Base interactions energy: -142.453
where: short stacking energy: -65.706
Base-Backbone interact. energy: -1.598
local terms energy: -81.468500
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -16.104
tors. eta vs tors. theta energy: -12.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -192.136097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.136097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.136097 (E_RNA)
where:
Base-Base interactions energy: -116.697
where: short stacking energy: -57.329
Base-Backbone interact. energy: 0.383
local terms energy: -75.822116
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -14.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -228.508470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.508470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.508470 (E_RNA)
where:
Base-Base interactions energy: -151.839
where: short stacking energy: -56.176
Base-Backbone interact. energy: -0.019
local terms energy: -76.650895
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: -13.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -118.690489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.690489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.690489 (E_RNA)
where:
Base-Base interactions energy: -57.079
where: short stacking energy: -27.246
Base-Backbone interact. energy: -0.186
local terms energy: -61.424888
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -21.225
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -1.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -106.426517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.426517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.426517 (E_RNA)
where:
Base-Base interactions energy: -48.429
where: short stacking energy: -29.404
Base-Backbone interact. energy: 0.131
local terms energy: -58.128614
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -0.427
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: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -335.606153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.606153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.606153 (E_RNA)
where:
Base-Base interactions energy: -222.056
where: short stacking energy: -99.136
Base-Backbone interact. energy: 0.099
local terms energy: -113.648601
where:
bonds (distance) C4'-P energy: -22.079
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -25.655
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -28.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -324.165000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.165000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.165000 (E_RNA)
where:
Base-Base interactions energy: -235.735
where: short stacking energy: -103.931
Base-Backbone interact. energy: 0.330
local terms energy: -88.760118
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -19.258
flat angles C4'-P-C4' energy: -19.360
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -26.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -324.442621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.442621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.442621 (E_RNA)
where:
Base-Base interactions energy: -229.708
where: short stacking energy: -88.247
Base-Backbone interact. energy: -0.096
local terms energy: -94.638490
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -24.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -266.268092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.268092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.268092 (E_RNA)
where:
Base-Base interactions energy: -174.997
where: short stacking energy: -70.554
Base-Backbone interact. energy: -0.094
local terms energy: -91.177552
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -24.477
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -21.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -299.721023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.721023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.721023 (E_RNA)
where:
Base-Base interactions energy: -205.127
where: short stacking energy: -90.997
Base-Backbone interact. energy: 5.414
local terms energy: -100.008570
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -25.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -236.265667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.265667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.265667 (E_RNA)
where:
Base-Base interactions energy: -146.180
where: short stacking energy: -73.729
Base-Backbone interact. energy: -0.636
local terms energy: -89.449381
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -203.175387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.175387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.175387 (E_RNA)
where:
Base-Base interactions energy: -129.025
where: short stacking energy: -59.605
Base-Backbone interact. energy: 0.433
local terms energy: -74.582717
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -22.045
flat angles P-C4'-P energy: -3.917
tors. eta vs tors. theta energy: -13.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -246.115927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.115927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.115927 (E_RNA)
where:
Base-Base interactions energy: -152.292
where: short stacking energy: -67.569
Base-Backbone interact. energy: -0.065
local terms energy: -93.758713
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -20.212
flat angles C4'-P-C4' energy: -21.919
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -20.255
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: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -111.475105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.475105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.475105 (E_RNA)
where:
Base-Base interactions energy: -52.616
where: short stacking energy: -39.612
Base-Backbone interact. energy: -0.255
local terms energy: -58.604327
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -0.363
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: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -100.852514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.852514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.852514 (E_RNA)
where:
Base-Base interactions energy: -64.490
where: short stacking energy: -28.552
Base-Backbone interact. energy: -0.210
local terms energy: -36.151979
where:
bonds (distance) C4'-P energy: -8.636
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -1.835
tors. eta vs tors. theta energy: 5.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -329.266655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.266655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.266655 (E_RNA)
where:
Base-Base interactions energy: -219.335
where: short stacking energy: -93.666
Base-Backbone interact. energy: -1.496
local terms energy: -108.435985
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -23.806
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -16.293
tors. eta vs tors. theta energy: -26.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -323.673623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.673623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.673623 (E_RNA)
where:
Base-Base interactions energy: -224.025
where: short stacking energy: -100.785
Base-Backbone interact. energy: 1.200
local terms energy: -100.848586
where:
bonds (distance) C4'-P energy: -18.399
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -19.883
flat angles P-C4'-P energy: -16.794
tors. eta vs tors. theta energy: -25.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -326.364215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.364215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.364215 (E_RNA)
where:
Base-Base interactions energy: -236.310
where: short stacking energy: -94.924
Base-Backbone interact. energy: -0.621
local terms energy: -89.432803
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -23.609
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -25.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -281.106498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.106498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.106498 (E_RNA)
where:
Base-Base interactions energy: -187.917
where: short stacking energy: -85.110
Base-Backbone interact. energy: -0.056
local terms energy: -93.133576
where:
bonds (distance) C4'-P energy: -21.342
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -20.074
flat angles P-C4'-P energy: -6.302
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: 5, replica: 7
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -310.342768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.342768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.342768 (E_RNA)
where:
Base-Base interactions energy: -216.828
where: short stacking energy: -87.049
Base-Backbone interact. energy: -0.158
local terms energy: -93.356739
where:
bonds (distance) C4'-P energy: -21.598
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -24.953
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: 6, replica: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -254.545468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.545468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.545468 (E_RNA)
where:
Base-Base interactions energy: -170.485
where: short stacking energy: -72.879
Base-Backbone interact. energy: -0.416
local terms energy: -83.644701
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -5.492
tors. eta vs tors. theta energy: -26.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -262.077064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.077064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.077064 (E_RNA)
where:
Base-Base interactions energy: -179.887
where: short stacking energy: -74.651
Base-Backbone interact. energy: -0.332
local terms energy: -81.858163
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -22.721
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -22.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -239.279660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.279660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.279660 (E_RNA)
where:
Base-Base interactions energy: -157.845
where: short stacking energy: -68.903
Base-Backbone interact. energy: -0.054
local terms energy: -81.380842
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -11.691
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: 9, replica: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -104.715999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.715999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.715999 (E_RNA)
where:
Base-Base interactions energy: -37.086
where: short stacking energy: -30.056
Base-Backbone interact. energy: -0.008
local terms energy: -67.621603
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -113.105187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.105187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.105187 (E_RNA)
where:
Base-Base interactions energy: -51.918
where: short stacking energy: -51.888
Base-Backbone interact. energy: -0.778
local terms energy: -60.409982
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -20.628
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: -5.397
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: 1, replica: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -328.217166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.217166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.217166 (E_RNA)
where:
Base-Base interactions energy: -231.843
where: short stacking energy: -105.524
Base-Backbone interact. energy: 0.178
local terms energy: -96.552224
where:
bonds (distance) C4'-P energy: -17.484
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -30.467
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: 2, replica: 9
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -327.976808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.976808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.976808 (E_RNA)
where:
Base-Base interactions energy: -212.065
where: short stacking energy: -91.207
Base-Backbone interact. energy: -0.193
local terms energy: -115.719196
where:
bonds (distance) C4'-P energy: -24.317
bonds (distance) P-C4' energy: -23.305
flat angles C4'-P-C4' energy: -25.106
flat angles P-C4'-P energy: -15.111
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: 5
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -311.298233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.298233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.298233 (E_RNA)
where:
Base-Base interactions energy: -217.670
where: short stacking energy: -93.548
Base-Backbone interact. energy: -0.314
local terms energy: -93.313575
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -18.861
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -27.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -304.462273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.462273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.462273 (E_RNA)
where:
Base-Base interactions energy: -202.915
where: short stacking energy: -92.186
Base-Backbone interact. energy: -0.522
local terms energy: -101.025701
where:
bonds (distance) C4'-P energy: -18.791
bonds (distance) P-C4' energy: -22.243
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -24.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -288.785297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.785297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.785297 (E_RNA)
where:
Base-Base interactions energy: -202.487
where: short stacking energy: -81.817
Base-Backbone interact. energy: -0.064
local terms energy: -86.234488
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -13.341
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: 6, replica: 4
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -264.204311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.204311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.204311 (E_RNA)
where:
Base-Base interactions energy: -185.999
where: short stacking energy: -76.756
Base-Backbone interact. energy: 0.414
local terms energy: -78.618938
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -20.309
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -231.514796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.514796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.514796 (E_RNA)
where:
Base-Base interactions energy: -144.507
where: short stacking energy: -64.977
Base-Backbone interact. energy: 0.046
local terms energy: -87.053843
where:
bonds (distance) C4'-P energy: -19.194
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -22.528
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -17.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -186.122751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.122751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.122751 (E_RNA)
where:
Base-Base interactions energy: -114.434
where: short stacking energy: -62.281
Base-Backbone interact. energy: -1.157
local terms energy: -70.532073
where:
bonds (distance) C4'-P energy: -9.225
bonds (distance) P-C4' energy: -20.401
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -13.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -115.075419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.075419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.075419 (E_RNA)
where:
Base-Base interactions energy: -55.543
where: short stacking energy: -33.119
Base-Backbone interact. energy: -0.238
local terms energy: -59.294258
where:
bonds (distance) C4'-P energy: -17.637
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -3.081
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: 3
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -101.709424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.709424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.709424 (E_RNA)
where:
Base-Base interactions energy: -42.632
where: short stacking energy: -32.906
Base-Backbone interact. energy: -0.209
local terms energy: -58.868307
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -21.740
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -7.417
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: 1, replica: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -322.597730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.597730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.597730 (E_RNA)
where:
Base-Base interactions energy: -229.604
where: short stacking energy: -82.830
Base-Backbone interact. energy: -0.347
local terms energy: -92.646766
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -24.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -331.194585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.194585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.194585 (E_RNA)
where:
Base-Base interactions energy: -233.130
where: short stacking energy: -102.918
Base-Backbone interact. energy: -0.087
local terms energy: -97.977151
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -21.058
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -15.408
tors. eta vs tors. theta energy: -26.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -317.774066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.774066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.774066 (E_RNA)
where:
Base-Base interactions energy: -213.569
where: short stacking energy: -97.938
Base-Backbone interact. energy: -0.112
local terms energy: -104.092179
where:
bonds (distance) C4'-P energy: -22.576
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -24.647
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -27.065
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: 5
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -315.218463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.218463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.218463 (E_RNA)
where:
Base-Base interactions energy: -216.155
where: short stacking energy: -94.783
Base-Backbone interact. energy: -0.712
local terms energy: -98.351096
where:
bonds (distance) C4'-P energy: -20.970
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -21.018
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -29.087
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: 4
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -267.195680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.195680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.195680 (E_RNA)
where:
Base-Base interactions energy: -172.454
where: short stacking energy: -64.936
Base-Backbone interact. energy: -0.643
local terms energy: -94.098499
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -22.403
flat angles P-C4'-P energy: -15.651
tors. eta vs tors. theta energy: -18.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -276.053684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.053684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.053684 (E_RNA)
where:
Base-Base interactions energy: -185.253
where: short stacking energy: -78.123
Base-Backbone interact. energy: -0.506
local terms energy: -90.294666
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -23.968
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: -24.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -179.935774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.935774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.935774 (E_RNA)
where:
Base-Base interactions energy: -100.802
where: short stacking energy: -51.710
Base-Backbone interact. energy: -0.075
local terms energy: -79.059325
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -19.047
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -10.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -243.651227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.651227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.651227 (E_RNA)
where:
Base-Base interactions energy: -165.940
where: short stacking energy: -75.978
Base-Backbone interact. energy: -0.041
local terms energy: -77.670580
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -23.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -106.789061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.789061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.789061 (E_RNA)
where:
Base-Base interactions energy: -46.740
where: short stacking energy: -43.203
Base-Backbone interact. energy: 0.316
local terms energy: -60.364472
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -18.041
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -105.400469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.400469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.400469 (E_RNA)
where:
Base-Base interactions energy: -44.696
where: short stacking energy: -26.282
Base-Backbone interact. energy: -1.399
local terms energy: -59.305223
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -18.903
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: 0.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -332.092065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.092065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.092065 (E_RNA)
where:
Base-Base interactions energy: -225.198
where: short stacking energy: -99.486
Base-Backbone interact. energy: -0.681
local terms energy: -106.212904
where:
bonds (distance) C4'-P energy: -20.771
bonds (distance) P-C4' energy: -21.365
flat angles C4'-P-C4' energy: -23.270
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -25.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -321.987466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.987466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.987466 (E_RNA)
where:
Base-Base interactions energy: -216.894
where: short stacking energy: -87.934
Base-Backbone interact. energy: -0.191
local terms energy: -104.902433
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -18.302
flat angles P-C4'-P energy: -17.798
tors. eta vs tors. theta energy: -27.485
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: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -318.266235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.266235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.266235 (E_RNA)
where:
Base-Base interactions energy: -221.257
where: short stacking energy: -95.754
Base-Backbone interact. energy: -0.178
local terms energy: -96.830818
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -22.019
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -27.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -310.900775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.900775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.900775 (E_RNA)
where:
Base-Base interactions energy: -215.124
where: short stacking energy: -86.224
Base-Backbone interact. energy: -0.199
local terms energy: -95.577565
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -20.559
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -24.610
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: 411
Temperature: 1.100000
Total energy: -282.881796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.881796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.881796 (E_RNA)
where:
Base-Base interactions energy: -190.478
where: short stacking energy: -77.088
Base-Backbone interact. energy: -0.043
local terms energy: -92.360904
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -19.867
flat angles C4'-P-C4' energy: -20.907
flat angles P-C4'-P energy: -15.833
tors. eta vs tors. theta energy: -17.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -173.764779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.764779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.764779 (E_RNA)
where:
Base-Base interactions energy: -96.046
where: short stacking energy: -57.847
Base-Backbone interact. energy: 0.486
local terms energy: -78.205540
where:
bonds (distance) C4'-P energy: -20.120
bonds (distance) P-C4' energy: -19.333
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -15.121
tors. eta vs tors. theta energy: -10.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -262.325734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.325734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.325734 (E_RNA)
where:
Base-Base interactions energy: -169.695
where: short stacking energy: -73.563
Base-Backbone interact. energy: 1.182
local terms energy: -93.813260
where:
bonds (distance) C4'-P energy: -21.163
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -19.191
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -18.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -162.667118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.667118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.667118 (E_RNA)
where:
Base-Base interactions energy: -90.260
where: short stacking energy: -44.884
Base-Backbone interact. energy: -0.032
local terms energy: -72.375540
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -14.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -103.971570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.971570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.971570 (E_RNA)
where:
Base-Base interactions energy: -40.193
where: short stacking energy: -37.382
Base-Backbone interact. energy: -0.448
local terms energy: -63.330627
where:
bonds (distance) C4'-P energy: -9.087
bonds (distance) P-C4' energy: -19.360
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -167.795856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.795856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.795856 (E_RNA)
where:
Base-Base interactions energy: -98.020
where: short stacking energy: -55.657
Base-Backbone interact. energy: -0.870
local terms energy: -68.906467
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -8.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -330.861739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.861739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.861739 (E_RNA)
where:
Base-Base interactions energy: -221.314
where: short stacking energy: -89.501
Base-Backbone interact. energy: -0.388
local terms energy: -109.160370
where:
bonds (distance) C4'-P energy: -22.508
bonds (distance) P-C4' energy: -20.623
flat angles C4'-P-C4' energy: -21.730
flat angles P-C4'-P energy: -15.663
tors. eta vs tors. theta energy: -28.635
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: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -320.502993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.502993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.502993 (E_RNA)
where:
Base-Base interactions energy: -217.638
where: short stacking energy: -92.281
Base-Backbone interact. energy: -0.058
local terms energy: -102.807155
where:
bonds (distance) C4'-P energy: -20.353
bonds (distance) P-C4' energy: -22.475
flat angles C4'-P-C4' energy: -21.552
flat angles P-C4'-P energy: -15.524
tors. eta vs tors. theta energy: -22.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -324.358947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.358947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.358947 (E_RNA)
where:
Base-Base interactions energy: -221.271
where: short stacking energy: -96.050
Base-Backbone interact. energy: -0.102
local terms energy: -102.985756
where:
bonds (distance) C4'-P energy: -23.266
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -16.321
tors. eta vs tors. theta energy: -22.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -311.695504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.695504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.695504 (E_RNA)
where:
Base-Base interactions energy: -207.983
where: short stacking energy: -95.201
Base-Backbone interact. energy: -0.571
local terms energy: -103.141528
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -23.866
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -30.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -268.655528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.655528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.655528 (E_RNA)
where:
Base-Base interactions energy: -178.979
where: short stacking energy: -67.650
Base-Backbone interact. energy: -0.112
local terms energy: -89.564614
where:
bonds (distance) C4'-P energy: -20.828
bonds (distance) P-C4' energy: -18.481
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -16.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -138.165449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.165449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.165449 (E_RNA)
where:
Base-Base interactions energy: -69.940
where: short stacking energy: -48.036
Base-Backbone interact. energy: -0.064
local terms energy: -68.161106
where:
bonds (distance) C4'-P energy: -19.219
bonds (distance) P-C4' energy: -20.410
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -3.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -258.464831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.464831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.464831 (E_RNA)
where:
Base-Base interactions energy: -173.943
where: short stacking energy: -69.567
Base-Backbone interact. energy: 0.114
local terms energy: -84.635604
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -16.421
tors. eta vs tors. theta energy: -21.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -174.007416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.007416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.007416 (E_RNA)
where:
Base-Base interactions energy: -102.171
where: short stacking energy: -58.543
Base-Backbone interact. energy: 0.208
local terms energy: -72.044855
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -11.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -111.446183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.446183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.446183 (E_RNA)
where:
Base-Base interactions energy: -49.048
where: short stacking energy: -34.814
Base-Backbone interact. energy: -0.157
local terms energy: -62.240972
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -0.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -96.094238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.094238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.094238 (E_RNA)
where:
Base-Base interactions energy: -50.973
where: short stacking energy: -39.343
Base-Backbone interact. energy: 1.272
local terms energy: -46.393430
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -7.341
flat angles P-C4'-P energy: -3.815
tors. eta vs tors. theta energy: -3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -328.598009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.598009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.598009 (E_RNA)
where:
Base-Base interactions energy: -231.110
where: short stacking energy: -94.898
Base-Backbone interact. energy: -0.579
local terms energy: -96.908964
where:
bonds (distance) C4'-P energy: -22.869
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -18.559
flat angles P-C4'-P energy: -15.189
tors. eta vs tors. theta energy: -19.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -327.119387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.119387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.119387 (E_RNA)
where:
Base-Base interactions energy: -225.332
where: short stacking energy: -97.124
Base-Backbone interact. energy: -0.222
local terms energy: -101.565109
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -19.474
flat angles P-C4'-P energy: -17.674
tors. eta vs tors. theta energy: -27.600
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: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -315.382223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.382223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.382223 (E_RNA)
where:
Base-Base interactions energy: -223.114
where: short stacking energy: -97.338
Base-Backbone interact. energy: -0.216
local terms energy: -92.052716
where:
bonds (distance) C4'-P energy: -19.512
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -21.342
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -27.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -316.372383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.372383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.372383 (E_RNA)
where:
Base-Base interactions energy: -219.011
where: short stacking energy: -95.725
Base-Backbone interact. energy: 0.784
local terms energy: -98.145307
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -23.001
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -25.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -274.181058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.181058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.181058 (E_RNA)
where:
Base-Base interactions energy: -191.824
where: short stacking energy: -71.323
Base-Backbone interact. energy: -0.399
local terms energy: -81.958268
where:
bonds (distance) C4'-P energy: -22.309
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -17.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -275.471505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.471505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.471505 (E_RNA)
where:
Base-Base interactions energy: -193.422
where: short stacking energy: -79.604
Base-Backbone interact. energy: -1.110
local terms energy: -80.939625
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -21.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -131.901868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.901868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.901868 (E_RNA)
where:
Base-Base interactions energy: -54.311
where: short stacking energy: -44.628
Base-Backbone interact. energy: 0.774
local terms energy: -78.365093
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -22.863
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -7.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -156.455683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.455683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.455683 (E_RNA)
where:
Base-Base interactions energy: -77.962
where: short stacking energy: -44.750
Base-Backbone interact. energy: -0.197
local terms energy: -78.296584
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -7.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -111.515946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.515946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.515946 (E_RNA)
where:
Base-Base interactions energy: -54.746
where: short stacking energy: -43.401
Base-Backbone interact. energy: 1.207
local terms energy: -57.977574
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -20.266
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -2.521
tors. eta vs tors. theta energy: 0.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -113.770907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.770907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.770907 (E_RNA)
where:
Base-Base interactions energy: -54.653
where: short stacking energy: -39.300
Base-Backbone interact. energy: -0.008
local terms energy: -59.109788
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -8.177
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -4.603
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: 7
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -335.316358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.316358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.316358 (E_RNA)
where:
Base-Base interactions energy: -242.284
where: short stacking energy: -98.869
Base-Backbone interact. energy: -0.121
local terms energy: -92.911355
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -22.837
flat angles P-C4'-P energy: -14.987
tors. eta vs tors. theta energy: -22.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -324.442047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.442047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.442047 (E_RNA)
where:
Base-Base interactions energy: -214.806
where: short stacking energy: -97.266
Base-Backbone interact. energy: -0.059
local terms energy: -109.577103
where:
bonds (distance) C4'-P energy: -21.768
bonds (distance) P-C4' energy: -21.467
flat angles C4'-P-C4' energy: -25.868
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -24.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -316.615053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.615053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.615053 (E_RNA)
where:
Base-Base interactions energy: -223.875
where: short stacking energy: -92.496
Base-Backbone interact. energy: -0.274
local terms energy: -92.465966
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -14.389
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: 4, replica: 9
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -314.745237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.745237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.745237 (E_RNA)
where:
Base-Base interactions energy: -206.394
where: short stacking energy: -81.848
Base-Backbone interact. energy: -0.085
local terms energy: -108.265994
where:
bonds (distance) C4'-P energy: -20.759
bonds (distance) P-C4' energy: -20.452
flat angles C4'-P-C4' energy: -21.209
flat angles P-C4'-P energy: -18.705
tors. eta vs tors. theta energy: -27.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -263.931100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.931100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.931100 (E_RNA)
where:
Base-Base interactions energy: -174.801
where: short stacking energy: -72.847
Base-Backbone interact. energy: 1.266
local terms energy: -90.396296
where:
bonds (distance) C4'-P energy: -24.111
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -19.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -250.338606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.338606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.338606 (E_RNA)
where:
Base-Base interactions energy: -165.653
where: short stacking energy: -64.213
Base-Backbone interact. energy: -0.297
local terms energy: -84.388991
where:
bonds (distance) C4'-P energy: -19.487
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -21.698
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -16.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -117.546125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.546125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.546125 (E_RNA)
where:
Base-Base interactions energy: -55.699
where: short stacking energy: -34.542
Base-Backbone interact. energy: -0.302
local terms energy: -61.544566
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: 2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -112.343741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.343741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.343741 (E_RNA)
where:
Base-Base interactions energy: -43.649
where: short stacking energy: -31.396
Base-Backbone interact. energy: -0.158
local terms energy: -68.536532
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -18.528
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -128.368438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.368438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.368438 (E_RNA)
where:
Base-Base interactions energy: -53.884
where: short stacking energy: -32.279
Base-Backbone interact. energy: -0.161
local terms energy: -74.323330
where:
bonds (distance) C4'-P energy: -18.617
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -7.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -93.792506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.792506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.792506 (E_RNA)
where:
Base-Base interactions energy: -35.426
where: short stacking energy: -26.507
Base-Backbone interact. energy: -0.343
local terms energy: -58.023380
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -13.245
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -327.738454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.738454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.738454 (E_RNA)
where:
Base-Base interactions energy: -214.152
where: short stacking energy: -93.826
Base-Backbone interact. energy: -0.053
local terms energy: -113.534033
where:
bonds (distance) C4'-P energy: -22.542
bonds (distance) P-C4' energy: -22.786
flat angles C4'-P-C4' energy: -24.253
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -28.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -323.992346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.992346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.992346 (E_RNA)
where:
Base-Base interactions energy: -222.598
where: short stacking energy: -90.899
Base-Backbone interact. energy: -0.262
local terms energy: -101.132563
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -23.886
flat angles C4'-P-C4' energy: -21.234
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -24.006
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: 5
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -324.831205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.831205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.831205 (E_RNA)
where:
Base-Base interactions energy: -216.327
where: short stacking energy: -96.304
Base-Backbone interact. energy: -0.392
local terms energy: -108.112751
where:
bonds (distance) C4'-P energy: -21.660
bonds (distance) P-C4' energy: -24.148
flat angles C4'-P-C4' energy: -21.328
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -27.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -316.815790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.815790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.815790 (E_RNA)
where:
Base-Base interactions energy: -219.708
where: short stacking energy: -89.349
Base-Backbone interact. energy: -0.741
local terms energy: -96.366754
where:
bonds (distance) C4'-P energy: -18.577
bonds (distance) P-C4' energy: -20.997
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -26.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -249.783168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.783168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.783168 (E_RNA)
where:
Base-Base interactions energy: -162.445
where: short stacking energy: -74.880
Base-Backbone interact. energy: -0.387
local terms energy: -86.950834
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -21.209
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -21.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -269.137256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.137256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.137256 (E_RNA)
where:
Base-Base interactions energy: -175.874
where: short stacking energy: -75.286
Base-Backbone interact. energy: -0.511
local terms energy: -92.752341
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -19.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -121.580192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.580192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.580192 (E_RNA)
where:
Base-Base interactions energy: -46.164
where: short stacking energy: -42.371
Base-Backbone interact. energy: 1.170
local terms energy: -76.586958
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -125.615035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.615035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.615035 (E_RNA)
where:
Base-Base interactions energy: -50.555
where: short stacking energy: -44.005
Base-Backbone interact. energy: -0.486
local terms energy: -74.574756
where:
bonds (distance) C4'-P energy: -21.250
bonds (distance) P-C4' energy: -19.177
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -10.879
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: 9, replica: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -115.774195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.774195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.774195 (E_RNA)
where:
Base-Base interactions energy: -50.379
where: short stacking energy: -41.154
Base-Backbone interact. energy: -0.290
local terms energy: -65.104914
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -7.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -96.215351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.215351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.215351 (E_RNA)
where:
Base-Base interactions energy: -41.206
where: short stacking energy: -31.892
Base-Backbone interact. energy: -1.350
local terms energy: -53.658678
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: 7.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -331.487020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.487020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.487020 (E_RNA)
where:
Base-Base interactions energy: -235.321
where: short stacking energy: -95.933
Base-Backbone interact. energy: -0.420
local terms energy: -95.746585
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -22.105
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -25.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -328.337767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.337767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.337767 (E_RNA)
where:
Base-Base interactions energy: -220.385
where: short stacking energy: -97.490
Base-Backbone interact. energy: -0.150
local terms energy: -107.802759
where:
bonds (distance) C4'-P energy: -20.753
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -20.780
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: -30.525
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: 5
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -316.616224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.616224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.616224 (E_RNA)
where:
Base-Base interactions energy: -210.843
where: short stacking energy: -87.724
Base-Backbone interact. energy: -0.822
local terms energy: -104.951049
where:
bonds (distance) C4'-P energy: -19.235
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -21.160
flat angles P-C4'-P energy: -16.529
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: 9
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -310.661013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.661013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.661013 (E_RNA)
where:
Base-Base interactions energy: -206.945
where: short stacking energy: -95.040
Base-Backbone interact. energy: -0.256
local terms energy: -103.460472
where:
bonds (distance) C4'-P energy: -19.756
bonds (distance) P-C4' energy: -20.083
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -17.155
tors. eta vs tors. theta energy: -26.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -270.430420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.430420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.430420 (E_RNA)
where:
Base-Base interactions energy: -182.152
where: short stacking energy: -68.882
Base-Backbone interact. energy: -0.116
local terms energy: -88.162463
where:
bonds (distance) C4'-P energy: -21.573
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -23.172
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: 4
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -236.092621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.092621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.092621 (E_RNA)
where:
Base-Base interactions energy: -154.646
where: short stacking energy: -52.262
Base-Backbone interact. energy: -0.110
local terms energy: -81.336831
where:
bonds (distance) C4'-P energy: -19.882
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -11.886
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: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -126.380252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.380252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.380252 (E_RNA)
where:
Base-Base interactions energy: -54.673
where: short stacking energy: -35.865
Base-Backbone interact. energy: -0.053
local terms energy: -71.654184
where:
bonds (distance) C4'-P energy: -18.676
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -18.829
flat angles P-C4'-P energy: -1.795
tors. eta vs tors. theta energy: -11.589
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: 8, replica: 3
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -106.085529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.085529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.085529 (E_RNA)
where:
Base-Base interactions energy: -38.757
where: short stacking energy: -28.198
Base-Backbone interact. energy: -0.210
local terms energy: -67.118917
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -1.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -103.995966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.995966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.995966 (E_RNA)
where:
Base-Base interactions energy: -36.181
where: short stacking energy: -31.481
Base-Backbone interact. energy: -0.110
local terms energy: -67.704938
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -0.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -107.102194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.102194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.102194 (E_RNA)
where:
Base-Base interactions energy: -35.799
where: short stacking energy: -32.224
Base-Backbone interact. energy: 0.175
local terms energy: -71.478087
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -18.645
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -4.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -341.682089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.682089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.682089 (E_RNA)
where:
Base-Base interactions energy: -239.850
where: short stacking energy: -98.933
Base-Backbone interact. energy: -0.100
local terms energy: -101.731772
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -22.125
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -27.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -325.941444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.941444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.941444 (E_RNA)
where:
Base-Base interactions energy: -220.803
where: short stacking energy: -95.992
Base-Backbone interact. energy: 0.295
local terms energy: -105.433336
where:
bonds (distance) C4'-P energy: -19.578
bonds (distance) P-C4' energy: -19.618
flat angles C4'-P-C4' energy: -20.038
flat angles P-C4'-P energy: -17.274
tors. eta vs tors. theta energy: -28.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -309.302893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.302893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.302893 (E_RNA)
where:
Base-Base interactions energy: -210.117
where: short stacking energy: -87.190
Base-Backbone interact. energy: -0.244
local terms energy: -98.942356
where:
bonds (distance) C4'-P energy: -21.536
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -21.851
flat angles P-C4'-P energy: -16.362
tors. eta vs tors. theta energy: -25.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -292.739916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.739916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.739916 (E_RNA)
where:
Base-Base interactions energy: -202.086
where: short stacking energy: -81.553
Base-Backbone interact. energy: -0.050
local terms energy: -90.603369
where:
bonds (distance) C4'-P energy: -18.560
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -18.939
flat angles P-C4'-P energy: -13.493
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: 9
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -308.553878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.553878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.553878 (E_RNA)
where:
Base-Base interactions energy: -213.694
where: short stacking energy: -83.746
Base-Backbone interact. energy: 0.570
local terms energy: -95.429587
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -22.446
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -21.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -253.286843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.286843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.286843 (E_RNA)
where:
Base-Base interactions energy: -165.065
where: short stacking energy: -73.990
Base-Backbone interact. energy: -0.133
local terms energy: -88.088606
where:
bonds (distance) C4'-P energy: -19.470
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -20.941
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -18.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -136.443093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.443093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.443093 (E_RNA)
where:
Base-Base interactions energy: -68.251
where: short stacking energy: -54.796
Base-Backbone interact. energy: -0.059
local terms energy: -68.133775
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -21.531
flat angles C4'-P-C4' energy: -20.377
flat angles P-C4'-P energy: -3.340
tors. eta vs tors. theta energy: -10.185
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: 417
Temperature: 1.250000
Total energy: -113.219586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.219586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.219586 (E_RNA)
where:
Base-Base interactions energy: -54.659
where: short stacking energy: -45.093
Base-Backbone interact. energy: 0.818
local terms energy: -59.378407
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -19.809
flat angles P-C4'-P energy: -6.418
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: 9, replica: 3
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -110.552627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.552627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.552627 (E_RNA)
where:
Base-Base interactions energy: -42.276
where: short stacking energy: -42.276
Base-Backbone interact. energy: -0.239
local terms energy: -68.038117
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -6.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -99.128480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.128480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.128480 (E_RNA)
where:
Base-Base interactions energy: -39.825
where: short stacking energy: -27.145
Base-Backbone interact. energy: -0.916
local terms energy: -58.387607
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -338.435697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.435697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.435697 (E_RNA)
where:
Base-Base interactions energy: -232.288
where: short stacking energy: -100.938
Base-Backbone interact. energy: 0.168
local terms energy: -106.315447
where:
bonds (distance) C4'-P energy: -21.357
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -25.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -326.846527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.846527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.846527 (E_RNA)
where:
Base-Base interactions energy: -228.743
where: short stacking energy: -91.634
Base-Backbone interact. energy: 0.373
local terms energy: -98.476049
where:
bonds (distance) C4'-P energy: -24.814
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -16.364
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: 3, replica: 7
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -313.121769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.121769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.121769 (E_RNA)
where:
Base-Base interactions energy: -210.634
where: short stacking energy: -90.234
Base-Backbone interact. energy: 0.519
local terms energy: -103.006004
where:
bonds (distance) C4'-P energy: -20.317
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -20.740
flat angles P-C4'-P energy: -15.299
tors. eta vs tors. theta energy: -24.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -281.438861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.438861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.438861 (E_RNA)
where:
Base-Base interactions energy: -186.025
where: short stacking energy: -77.778
Base-Backbone interact. energy: -0.533
local terms energy: -94.880510
where:
bonds (distance) C4'-P energy: -20.914
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -20.677
flat angles P-C4'-P energy: -16.203
tors. eta vs tors. theta energy: -18.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -255.690250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.690250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.690250 (E_RNA)
where:
Base-Base interactions energy: -168.237
where: short stacking energy: -76.542
Base-Backbone interact. energy: -0.166
local terms energy: -87.286685
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -11.578
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: 6, replica: 9
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -274.891057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.891057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.891057 (E_RNA)
where:
Base-Base interactions energy: -178.309
where: short stacking energy: -67.954
Base-Backbone interact. energy: -0.093
local terms energy: -96.489281
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -21.904
flat angles P-C4'-P energy: -15.298
tors. eta vs tors. theta energy: -19.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -122.926803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.926803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.926803 (E_RNA)
where:
Base-Base interactions energy: -51.059
where: short stacking energy: -39.123
Base-Backbone interact. energy: -0.269
local terms energy: -71.599488
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -13.404
tors. eta vs tors. theta energy: -5.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -109.128859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.128859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.128859 (E_RNA)
where:
Base-Base interactions energy: -37.220
where: short stacking energy: -33.655
Base-Backbone interact. energy: -0.536
local terms energy: -71.373271
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -21.585
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -4.273
tors. eta vs tors. theta energy: -9.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -103.816378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.816378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.816378 (E_RNA)
where:
Base-Base interactions energy: -33.204
where: short stacking energy: -29.989
Base-Backbone interact. energy: -0.250
local terms energy: -70.361668
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -21.074
flat angles C4'-P-C4' energy: -20.041
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: 3.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -97.450953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.450953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.450953 (E_RNA)
where:
Base-Base interactions energy: -41.071
where: short stacking energy: -35.140
Base-Backbone interact. energy: -0.207
local terms energy: -56.172812
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -18.532
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -4.099
tors. eta vs tors. theta energy: -3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -335.078689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.078689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.078689 (E_RNA)
where:
Base-Base interactions energy: -232.640
where: short stacking energy: -100.017
Base-Backbone interact. energy: -0.603
local terms energy: -101.835525
where:
bonds (distance) C4'-P energy: -20.026
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -21.215
flat angles P-C4'-P energy: -17.739
tors. eta vs tors. theta energy: -27.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -324.008193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.008193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.008193 (E_RNA)
where:
Base-Base interactions energy: -228.349
where: short stacking energy: -90.945
Base-Backbone interact. energy: -0.431
local terms energy: -95.227980
where:
bonds (distance) C4'-P energy: -20.368
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -21.553
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -22.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -324.785940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.785940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.785940 (E_RNA)
where:
Base-Base interactions energy: -227.791
where: short stacking energy: -94.333
Base-Backbone interact. energy: -0.971
local terms energy: -96.024511
where:
bonds (distance) C4'-P energy: -20.393
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -23.414
flat angles P-C4'-P energy: -12.852
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: 4, replica: 4
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -276.290678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.290678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.290678 (E_RNA)
where:
Base-Base interactions energy: -183.564
where: short stacking energy: -84.131
Base-Backbone interact. energy: -0.298
local terms energy: -92.428715
where:
bonds (distance) C4'-P energy: -19.850
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -19.526
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -23.412
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: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -276.773234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.773234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.773234 (E_RNA)
where:
Base-Base interactions energy: -188.277
where: short stacking energy: -74.870
Base-Backbone interact. energy: -0.066
local terms energy: -88.429931
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -20.844
flat angles P-C4'-P energy: -9.042
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: 6, replica: 9
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -284.705368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.705368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.705368 (E_RNA)
where:
Base-Base interactions energy: -194.155
where: short stacking energy: -75.669
Base-Backbone interact. energy: -0.154
local terms energy: -90.396447
where:
bonds (distance) C4'-P energy: -21.676
bonds (distance) P-C4' energy: -21.587
flat angles C4'-P-C4' energy: -22.085
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -19.528
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: 419
Temperature: 1.200000
Total energy: -119.590917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.590917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.590917 (E_RNA)
where:
Base-Base interactions energy: -41.876
where: short stacking energy: -41.876
Base-Backbone interact. energy: -0.150
local terms energy: -77.565130
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -22.151
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -10.443
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: 8, replica: 1
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -111.457983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.457983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.457983 (E_RNA)
where:
Base-Base interactions energy: -44.345
where: short stacking energy: -39.705
Base-Backbone interact. energy: 0.960
local terms energy: -68.073398
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -23.568
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -13.148
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: 9, replica: 8
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -117.931354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.931354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.931354 (E_RNA)
where:
Base-Base interactions energy: -53.200
where: short stacking energy: -33.853
Base-Backbone interact. energy: -0.129
local terms energy: -64.603131
where:
bonds (distance) C4'-P energy: -22.626
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: 3.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -96.356054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.356054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.356054 (E_RNA)
where:
Base-Base interactions energy: -39.813
where: short stacking energy: -19.144
Base-Backbone interact. energy: 0.374
local terms energy: -56.917463
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -20.246
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -1.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -343.981017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.981017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.981017 (E_RNA)
where:
Base-Base interactions energy: -240.204
where: short stacking energy: -99.695
Base-Backbone interact. energy: -0.535
local terms energy: -103.241830
where:
bonds (distance) C4'-P energy: -21.727
bonds (distance) P-C4' energy: -20.636
flat angles C4'-P-C4' energy: -21.931
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -28.287
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: 2, replica: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -329.377649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.377649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.377649 (E_RNA)
where:
Base-Base interactions energy: -225.031
where: short stacking energy: -97.759
Base-Backbone interact. energy: -1.272
local terms energy: -103.075141
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -21.374
flat angles C4'-P-C4' energy: -22.206
flat angles P-C4'-P energy: -15.072
tors. eta vs tors. theta energy: -26.162
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: 5
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -316.660921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.660921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.660921 (E_RNA)
where:
Base-Base interactions energy: -214.810
where: short stacking energy: -83.213
Base-Backbone interact. energy: -0.476
local terms energy: -101.374975
where:
bonds (distance) C4'-P energy: -18.634
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -24.139
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -24.958
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: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -268.088455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.088455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.088455 (E_RNA)
where:
Base-Base interactions energy: -180.288
where: short stacking energy: -72.665
Base-Backbone interact. energy: -0.248
local terms energy: -87.552338
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -22.027
flat angles C4'-P-C4' energy: -23.792
flat angles P-C4'-P energy: -12.196
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: 5, replica: 9
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -308.091294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.091294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.091294 (E_RNA)
where:
Base-Base interactions energy: -219.993
where: short stacking energy: -97.271
Base-Backbone interact. energy: -0.972
local terms energy: -87.126046
where:
bonds (distance) C4'-P energy: -9.964
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -22.578
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: -22.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -263.810412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.810412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.810412 (E_RNA)
where:
Base-Base interactions energy: -182.953
where: short stacking energy: -69.599
Base-Backbone interact. energy: -0.074
local terms energy: -80.783273
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -17.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -122.826236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.826236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.826236 (E_RNA)
where:
Base-Base interactions energy: -42.178
where: short stacking energy: -42.178
Base-Backbone interact. energy: -0.009
local terms energy: -80.638888
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -13.625
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: 8, replica: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -117.559811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.559811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.559811 (E_RNA)
where:
Base-Base interactions energy: -47.473
where: short stacking energy: -42.335
Base-Backbone interact. energy: -0.086
local terms energy: -70.001130
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -128.597412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.597412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.597412 (E_RNA)
where:
Base-Base interactions energy: -68.230
where: short stacking energy: -47.209
Base-Backbone interact. energy: -0.068
local terms energy: -60.299386
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -11.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -103.780801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.780801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.780801 (E_RNA)
where:
Base-Base interactions energy: -35.725
where: short stacking energy: -27.971
Base-Backbone interact. energy: -0.139
local terms energy: -67.917241
where:
bonds (distance) C4'-P energy: -19.736
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -330.440805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.440805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.440805 (E_RNA)
where:
Base-Base interactions energy: -230.017
where: short stacking energy: -90.354
Base-Backbone interact. energy: -0.218
local terms energy: -100.206340
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -19.301
flat angles C4'-P-C4' energy: -23.009
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -26.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -328.923386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.923386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.923386 (E_RNA)
where:
Base-Base interactions energy: -227.456
where: short stacking energy: -101.064
Base-Backbone interact. energy: 0.412
local terms energy: -101.879338
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -21.773
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -18.619
tors. eta vs tors. theta energy: -30.123
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: 3, replica: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -310.269115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.269115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.269115 (E_RNA)
where:
Base-Base interactions energy: -211.323
where: short stacking energy: -89.522
Base-Backbone interact. energy: -0.188
local terms energy: -98.757902
where:
bonds (distance) C4'-P energy: -21.038
bonds (distance) P-C4' energy: -18.497
flat angles C4'-P-C4' energy: -24.644
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -26.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -305.423518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.423518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.423518 (E_RNA)
where:
Base-Base interactions energy: -211.400
where: short stacking energy: -97.488
Base-Backbone interact. energy: -0.124
local terms energy: -93.899408
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -19.934
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -28.846
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: 5, replica: 4
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -260.666141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.666141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.666141 (E_RNA)
where:
Base-Base interactions energy: -177.684
where: short stacking energy: -71.291
Base-Backbone interact. energy: -0.771
local terms energy: -82.210938
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -19.587
flat angles P-C4'-P energy: -16.399
tors. eta vs tors. theta energy: -13.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -271.740862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.740862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.740862 (E_RNA)
where:
Base-Base interactions energy: -183.027
where: short stacking energy: -70.625
Base-Backbone interact. energy: -0.101
local terms energy: -88.613409
where:
bonds (distance) C4'-P energy: -20.700
bonds (distance) P-C4' energy: -19.938
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -17.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -115.303292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.303292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.303292 (E_RNA)
where:
Base-Base interactions energy: -44.382
where: short stacking energy: -43.834
Base-Backbone interact. energy: -0.078
local terms energy: -70.842567
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -18.117
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -12.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -123.085317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.085317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.085317 (E_RNA)
where:
Base-Base interactions energy: -67.887
where: short stacking energy: -45.421
Base-Backbone interact. energy: -0.077
local terms energy: -55.121339
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -0.070
tors. eta vs tors. theta energy: -8.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -105.176776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.176776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.176776 (E_RNA)
where:
Base-Base interactions energy: -31.013
where: short stacking energy: -27.595
Base-Backbone interact. energy: -0.400
local terms energy: -73.763742
where:
bonds (distance) C4'-P energy: -22.016
bonds (distance) P-C4' energy: -19.705
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -5.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -98.643414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.643414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.643414 (E_RNA)
where:
Base-Base interactions energy: -32.234
where: short stacking energy: -30.833
Base-Backbone interact. energy: -0.010
local terms energy: -66.399268
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -19.941
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -5.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -337.153688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.153688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.153688 (E_RNA)
where:
Base-Base interactions energy: -227.577
where: short stacking energy: -102.547
Base-Backbone interact. energy: -0.106
local terms energy: -109.470341
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -23.733
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -30.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -324.519532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.519532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.519532 (E_RNA)
where:
Base-Base interactions energy: -222.401
where: short stacking energy: -97.476
Base-Backbone interact. energy: -0.129
local terms energy: -101.989139
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -24.174
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -16.539
tors. eta vs tors. theta energy: -25.500
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: 3, replica: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -316.125452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.125452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.125452 (E_RNA)
where:
Base-Base interactions energy: -218.769
where: short stacking energy: -86.428
Base-Backbone interact. energy: -0.192
local terms energy: -97.165124
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -21.710
flat angles C4'-P-C4' energy: -21.673
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -21.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -317.767035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.767035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.767035 (E_RNA)
where:
Base-Base interactions energy: -215.340
where: short stacking energy: -97.257
Base-Backbone interact. energy: -0.093
local terms energy: -102.334340
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -23.271
flat angles P-C4'-P energy: -16.242
tors. eta vs tors. theta energy: -31.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -282.552762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.552762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.552762 (E_RNA)
where:
Base-Base interactions energy: -186.475
where: short stacking energy: -70.212
Base-Backbone interact. energy: 0.045
local terms energy: -96.122032
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -22.394
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -23.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -267.001015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.001015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.001015 (E_RNA)
where:
Base-Base interactions energy: -183.894
where: short stacking energy: -74.798
Base-Backbone interact. energy: -0.157
local terms energy: -82.950139
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -20.078
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -17.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -117.527237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.527237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.527237 (E_RNA)
where:
Base-Base interactions energy: -48.056
where: short stacking energy: -48.056
Base-Backbone interact. energy: -0.049
local terms energy: -69.422232
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -14.200
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: 8, replica: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -144.371130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.371130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.371130 (E_RNA)
where:
Base-Base interactions energy: -79.553
where: short stacking energy: -51.112
Base-Backbone interact. energy: -0.044
local terms energy: -64.773673
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -5.637
tors. eta vs tors. theta energy: -7.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -104.988283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.988283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.988283 (E_RNA)
where:
Base-Base interactions energy: -36.163
where: short stacking energy: -23.804
Base-Backbone interact. energy: 0.537
local terms energy: -69.362502
where:
bonds (distance) C4'-P energy: -22.547
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: 2.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -108.238502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.238502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.238502 (E_RNA)
where:
Base-Base interactions energy: -43.947
where: short stacking energy: -43.771
Base-Backbone interact. energy: -0.265
local terms energy: -64.026351
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -6.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -332.805157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.805157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.805157 (E_RNA)
where:
Base-Base interactions energy: -230.514
where: short stacking energy: -105.675
Base-Backbone interact. energy: 0.623
local terms energy: -102.913851
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -23.891
flat angles P-C4'-P energy: -15.937
tors. eta vs tors. theta energy: -30.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -323.040326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.040326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.040326 (E_RNA)
where:
Base-Base interactions energy: -220.295
where: short stacking energy: -92.651
Base-Backbone interact. energy: -0.555
local terms energy: -102.190433
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -22.871
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -23.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -305.744473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.744473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.744473 (E_RNA)
where:
Base-Base interactions energy: -206.903
where: short stacking energy: -73.574
Base-Backbone interact. energy: -0.439
local terms energy: -98.401742
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -19.880
flat angles P-C4'-P energy: -14.859
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: 4, replica: 9
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -312.216830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.216830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.216830 (E_RNA)
where:
Base-Base interactions energy: -208.114
where: short stacking energy: -93.458
Base-Backbone interact. energy: -0.116
local terms energy: -103.987680
where:
bonds (distance) C4'-P energy: -21.339
bonds (distance) P-C4' energy: -19.422
flat angles C4'-P-C4' energy: -21.700
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: -25.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -279.355123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.355123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.355123 (E_RNA)
where:
Base-Base interactions energy: -185.593
where: short stacking energy: -81.510
Base-Backbone interact. energy: -0.016
local terms energy: -93.746749
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -23.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -262.743979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.743979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.743979 (E_RNA)
where:
Base-Base interactions energy: -178.202
where: short stacking energy: -73.467
Base-Backbone interact. energy: 1.019
local terms energy: -85.560783
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -22.347
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -16.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -132.302242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.302242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.302242 (E_RNA)
where:
Base-Base interactions energy: -57.036
where: short stacking energy: -43.779
Base-Backbone interact. energy: -0.721
local terms energy: -74.546152
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -13.402
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: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -150.466840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.466840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.466840 (E_RNA)
where:
Base-Base interactions energy: -87.326
where: short stacking energy: -51.166
Base-Backbone interact. energy: -0.411
local terms energy: -62.729594
where:
bonds (distance) C4'-P energy: -9.029
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -11.964
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: 423
Temperature: 1.300000
Total energy: -119.156273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.156273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.156273 (E_RNA)
where:
Base-Base interactions energy: -50.492
where: short stacking energy: -37.782
Base-Backbone interact. energy: -0.066
local terms energy: -68.598572
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: -6.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -108.722223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.722223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.722223 (E_RNA)
where:
Base-Base interactions energy: -38.990
where: short stacking energy: -35.811
Base-Backbone interact. energy: -1.297
local terms energy: -68.434876
where:
bonds (distance) C4'-P energy: -19.396
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -4.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -329.054429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.054429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.054429 (E_RNA)
where:
Base-Base interactions energy: -224.938
where: short stacking energy: -98.197
Base-Backbone interact. energy: 0.600
local terms energy: -104.716517
where:
bonds (distance) C4'-P energy: -18.625
bonds (distance) P-C4' energy: -21.160
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -29.901
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: 2, replica: 7
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -329.959663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.959663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.959663 (E_RNA)
where:
Base-Base interactions energy: -223.685
where: short stacking energy: -99.315
Base-Backbone interact. energy: -1.030
local terms energy: -105.244600
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -23.436
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -15.064
tors. eta vs tors. theta energy: -28.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -317.782040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.782040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.782040 (E_RNA)
where:
Base-Base interactions energy: -211.874
where: short stacking energy: -85.597
Base-Backbone interact. energy: -0.568
local terms energy: -105.340408
where:
bonds (distance) C4'-P energy: -23.017
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -22.446
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: -23.556
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: 4, replica: 9
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -306.976751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.976751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.976751 (E_RNA)
where:
Base-Base interactions energy: -213.043
where: short stacking energy: -91.200
Base-Backbone interact. energy: -0.050
local terms energy: -93.883353
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -20.692
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -26.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -280.689451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.689451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.689451 (E_RNA)
where:
Base-Base interactions energy: -194.209
where: short stacking energy: -78.419
Base-Backbone interact. energy: -0.802
local terms energy: -85.678736
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -24.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -254.289690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.289690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.289690 (E_RNA)
where:
Base-Base interactions energy: -174.923
where: short stacking energy: -65.417
Base-Backbone interact. energy: -0.248
local terms energy: -79.118670
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -16.704
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -14.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -115.774443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.774443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.774443 (E_RNA)
where:
Base-Base interactions energy: -43.194
where: short stacking energy: -35.071
Base-Backbone interact. energy: -0.861
local terms energy: -71.718817
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -19.471
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -10.796
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: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -118.918414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.918414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.918414 (E_RNA)
where:
Base-Base interactions energy: -39.911
where: short stacking energy: -39.911
Base-Backbone interact. energy: -0.111
local terms energy: -78.896602
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -11.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -110.591957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.591957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.591957 (E_RNA)
where:
Base-Base interactions energy: -58.652
where: short stacking energy: -25.419
Base-Backbone interact. energy: -1.517
local terms energy: -50.422798
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -8.446
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -2.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -99.781989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.781989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.781989 (E_RNA)
where:
Base-Base interactions energy: -36.356
where: short stacking energy: -31.161
Base-Backbone interact. energy: 0.039
local terms energy: -63.465105
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -22.272
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: 3.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -328.331820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.331820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.331820 (E_RNA)
where:
Base-Base interactions energy: -225.954
where: short stacking energy: -98.784
Base-Backbone interact. energy: -0.694
local terms energy: -101.683888
where:
bonds (distance) C4'-P energy: -19.926
bonds (distance) P-C4' energy: -23.663
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -29.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -319.257257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.257257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.257257 (E_RNA)
where:
Base-Base interactions energy: -220.273
where: short stacking energy: -90.693
Base-Backbone interact. energy: -0.089
local terms energy: -98.894533
where:
bonds (distance) C4'-P energy: -20.025
bonds (distance) P-C4' energy: -22.559
flat angles C4'-P-C4' energy: -19.209
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -25.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -317.646744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.646744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.646744 (E_RNA)
where:
Base-Base interactions energy: -216.807
where: short stacking energy: -93.180
Base-Backbone interact. energy: -0.110
local terms energy: -100.730513
where:
bonds (distance) C4'-P energy: -20.842
bonds (distance) P-C4' energy: -19.747
flat angles C4'-P-C4' energy: -21.177
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -23.234
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: 425
Temperature: 1.050000
Total energy: -279.814211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.814211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.814211 (E_RNA)
where:
Base-Base interactions energy: -186.442
where: short stacking energy: -77.561
Base-Backbone interact. energy: -1.328
local terms energy: -92.043732
where:
bonds (distance) C4'-P energy: -21.176
bonds (distance) P-C4' energy: -22.381
flat angles C4'-P-C4' energy: -19.017
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -20.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -301.956702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.956702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.956702 (E_RNA)
where:
Base-Base interactions energy: -202.853
where: short stacking energy: -85.780
Base-Backbone interact. energy: -0.704
local terms energy: -98.398877
where:
bonds (distance) C4'-P energy: -19.759
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -23.526
flat angles P-C4'-P energy: -15.448
tors. eta vs tors. theta energy: -25.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -264.074172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.074172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.074172 (E_RNA)
where:
Base-Base interactions energy: -175.218
where: short stacking energy: -65.835
Base-Backbone interact. energy: -0.524
local terms energy: -88.332368
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -22.097
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -18.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -139.956607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.956607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.956607 (E_RNA)
where:
Base-Base interactions energy: -59.555
where: short stacking energy: -43.127
Base-Backbone interact. energy: -0.464
local terms energy: -79.937758
where:
bonds (distance) C4'-P energy: -21.847
bonds (distance) P-C4' energy: -22.003
flat angles C4'-P-C4' energy: -19.283
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -145.558031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.558031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.558031 (E_RNA)
where:
Base-Base interactions energy: -80.679
where: short stacking energy: -44.951
Base-Backbone interact. energy: 0.169
local terms energy: -65.047747
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -18.973
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -10.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -98.251055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.251055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.251055 (E_RNA)
where:
Base-Base interactions energy: -37.222
where: short stacking energy: -37.222
Base-Backbone interact. energy: 0.150
local terms energy: -61.179082
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -0.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -151.125698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.125698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.125698 (E_RNA)
where:
Base-Base interactions energy: -91.790
where: short stacking energy: -39.703
Base-Backbone interact. energy: -0.303
local terms energy: -59.032326
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -4.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -329.542237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.542237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.542237 (E_RNA)
where:
Base-Base interactions energy: -220.802
where: short stacking energy: -90.786
Base-Backbone interact. energy: -1.495
local terms energy: -107.245247
where:
bonds (distance) C4'-P energy: -20.701
bonds (distance) P-C4' energy: -21.312
flat angles C4'-P-C4' energy: -22.928
flat angles P-C4'-P energy: -18.183
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: 5
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -317.974251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.974251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.974251 (E_RNA)
where:
Base-Base interactions energy: -220.788
where: short stacking energy: -93.530
Base-Backbone interact. energy: -0.045
local terms energy: -97.140635
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -21.375
flat angles C4'-P-C4' energy: -21.816
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -27.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -336.668347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.668347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.668347 (E_RNA)
where:
Base-Base interactions energy: -228.629
where: short stacking energy: -102.743
Base-Backbone interact. energy: -0.822
local terms energy: -107.217006
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -22.111
flat angles P-C4'-P energy: -18.014
tors. eta vs tors. theta energy: -26.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -294.282669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.282669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.282669 (E_RNA)
where:
Base-Base interactions energy: -193.825
where: short stacking energy: -78.382
Base-Backbone interact. energy: -0.046
local terms energy: -100.411492
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -22.878
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -20.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -290.090481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.090481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.090481 (E_RNA)
where:
Base-Base interactions energy: -200.634
where: short stacking energy: -74.421
Base-Backbone interact. energy: -0.412
local terms energy: -89.045237
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -23.639
flat angles P-C4'-P energy: -15.422
tors. eta vs tors. theta energy: -14.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -264.850968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.850968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.850968 (E_RNA)
where:
Base-Base interactions energy: -178.885
where: short stacking energy: -76.884
Base-Backbone interact. energy: 0.025
local terms energy: -85.990595
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -22.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -113.200001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.200001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.200001 (E_RNA)
where:
Base-Base interactions energy: -43.646
where: short stacking energy: -39.008
Base-Backbone interact. energy: -0.642
local terms energy: -68.911938
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -8.999
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: 8, replica: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -124.019349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.019349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.019349 (E_RNA)
where:
Base-Base interactions energy: -46.484
where: short stacking energy: -41.631
Base-Backbone interact. energy: -0.149
local terms energy: -77.385597
where:
bonds (distance) C4'-P energy: -23.507
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -6.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -121.812132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.812132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.812132 (E_RNA)
where:
Base-Base interactions energy: -61.137
where: short stacking energy: -38.271
Base-Backbone interact. energy: -0.200
local terms energy: -60.475762
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -94.189423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.189423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.189423 (E_RNA)
where:
Base-Base interactions energy: -38.791
where: short stacking energy: -18.825
Base-Backbone interact. energy: -0.943
local terms energy: -54.455037
where:
bonds (distance) C4'-P energy: -18.225
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: 3.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -333.040819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.040819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.040819 (E_RNA)
where:
Base-Base interactions energy: -228.801
where: short stacking energy: -96.875
Base-Backbone interact. energy: -0.567
local terms energy: -103.672707
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -20.830
flat angles P-C4'-P energy: -17.243
tors. eta vs tors. theta energy: -25.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -324.402513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.402513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.402513 (E_RNA)
where:
Base-Base interactions energy: -219.746
where: short stacking energy: -95.650
Base-Backbone interact. energy: -0.401
local terms energy: -104.255669
where:
bonds (distance) C4'-P energy: -23.685
bonds (distance) P-C4' energy: -19.216
flat angles C4'-P-C4' energy: -22.805
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -26.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -327.122592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.122592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.122592 (E_RNA)
where:
Base-Base interactions energy: -225.598
where: short stacking energy: -95.807
Base-Backbone interact. energy: -0.082
local terms energy: -101.442315
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -22.070
flat angles C4'-P-C4' energy: -20.292
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -27.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -296.590934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.590934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.590934 (E_RNA)
where:
Base-Base interactions energy: -209.684
where: short stacking energy: -83.471
Base-Backbone interact. energy: -0.491
local terms energy: -86.415940
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -19.849
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -15.207
tors. eta vs tors. theta energy: -19.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -283.631608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.631608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.631608 (E_RNA)
where:
Base-Base interactions energy: -185.850
where: short stacking energy: -68.244
Base-Backbone interact. energy: -0.097
local terms energy: -97.684532
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -22.811
flat angles P-C4'-P energy: -11.565
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: 6, replica: 4
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -264.873572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.873572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.873572 (E_RNA)
where:
Base-Base interactions energy: -175.997
where: short stacking energy: -71.513
Base-Backbone interact. energy: -0.238
local terms energy: -88.638577
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -20.745
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -15.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -125.570253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.570253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.570253 (E_RNA)
where:
Base-Base interactions energy: -56.589
where: short stacking energy: -38.445
Base-Backbone interact. energy: -0.345
local terms energy: -68.636519
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -13.306
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: 8, replica: 8
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -114.341743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.341743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.341743 (E_RNA)
where:
Base-Base interactions energy: -61.250
where: short stacking energy: -32.638
Base-Backbone interact. energy: 0.175
local terms energy: -53.266461
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -9.667
flat angles P-C4'-P energy: -4.213
tors. eta vs tors. theta energy: -1.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -110.515359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.515359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.515359 (E_RNA)
where:
Base-Base interactions energy: -47.569
where: short stacking energy: -33.559
Base-Backbone interact. energy: -0.915
local terms energy: -62.031388
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -20.769
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -3.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -116.789761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.789761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.789761 (E_RNA)
where:
Base-Base interactions energy: -52.259
where: short stacking energy: -46.121
Base-Backbone interact. energy: -0.183
local terms energy: -64.347730
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -330.299977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.299977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.299977 (E_RNA)
where:
Base-Base interactions energy: -220.364
where: short stacking energy: -105.962
Base-Backbone interact. energy: -1.754
local terms energy: -108.182260
where:
bonds (distance) C4'-P energy: -21.379
bonds (distance) P-C4' energy: -19.948
flat angles C4'-P-C4' energy: -22.889
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -31.064
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: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -322.386477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.386477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.386477 (E_RNA)
where:
Base-Base interactions energy: -222.058
where: short stacking energy: -98.867
Base-Backbone interact. energy: -0.046
local terms energy: -100.283148
where:
bonds (distance) C4'-P energy: -21.810
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -31.109
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: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -311.364802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.364802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.364802 (E_RNA)
where:
Base-Base interactions energy: -212.508
where: short stacking energy: -90.113
Base-Backbone interact. energy: -0.108
local terms energy: -98.748639
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -26.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -317.155093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.155093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.155093 (E_RNA)
where:
Base-Base interactions energy: -215.887
where: short stacking energy: -97.572
Base-Backbone interact. energy: -1.897
local terms energy: -99.371047
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -19.881
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -27.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -282.863276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.863276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.863276 (E_RNA)
where:
Base-Base interactions energy: -201.260
where: short stacking energy: -87.505
Base-Backbone interact. energy: -0.298
local terms energy: -81.305808
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -27.135
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: 6
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -252.349325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.349325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.349325 (E_RNA)
where:
Base-Base interactions energy: -177.148
where: short stacking energy: -66.791
Base-Backbone interact. energy: -0.487
local terms energy: -74.714298
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -21.517
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -15.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -132.387878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.387878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.387878 (E_RNA)
where:
Base-Base interactions energy: -58.751
where: short stacking energy: -48.209
Base-Backbone interact. energy: 0.838
local terms energy: -74.474938
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -14.050
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: 10
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -121.141631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.141631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.141631 (E_RNA)
where:
Base-Base interactions energy: -60.970
where: short stacking energy: -45.760
Base-Backbone interact. energy: -0.861
local terms energy: -59.310921
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -18.648
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -6.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -117.748280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.748280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.748280 (E_RNA)
where:
Base-Base interactions energy: -45.008
where: short stacking energy: -42.328
Base-Backbone interact. energy: -1.539
local terms energy: -71.200871
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -11.012
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: 1
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -107.979521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.979521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.979521 (E_RNA)
where:
Base-Base interactions energy: -44.840
where: short stacking energy: -44.840
Base-Backbone interact. energy: -0.053
local terms energy: -63.087156
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -22.270
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -5.790
tors. eta vs tors. theta energy: -7.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -320.607052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.607052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.607052 (E_RNA)
where:
Base-Base interactions energy: -225.818
where: short stacking energy: -94.968
Base-Backbone interact. energy: -0.165
local terms energy: -94.623774
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -23.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -313.175735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.175735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.175735 (E_RNA)
where:
Base-Base interactions energy: -214.426
where: short stacking energy: -88.352
Base-Backbone interact. energy: -0.314
local terms energy: -98.435610
where:
bonds (distance) C4'-P energy: -19.809
bonds (distance) P-C4' energy: -23.029
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -14.956
tors. eta vs tors. theta energy: -22.710
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: 429
Temperature: 1.000000
Total energy: -317.910031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.910031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.910031 (E_RNA)
where:
Base-Base interactions energy: -214.366
where: short stacking energy: -85.612
Base-Backbone interact. energy: 1.288
local terms energy: -104.832300
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -31.629
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: 4, replica: 5
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -304.663717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.663717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.663717 (E_RNA)
where:
Base-Base interactions energy: -209.682
where: short stacking energy: -81.663
Base-Backbone interact. energy: -0.194
local terms energy: -94.787702
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -21.619
flat angles P-C4'-P energy: -17.058
tors. eta vs tors. theta energy: -25.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -280.696627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.696627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.696627 (E_RNA)
where:
Base-Base interactions energy: -198.319
where: short stacking energy: -81.063
Base-Backbone interact. energy: 0.340
local terms energy: -82.716982
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -20.066
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -21.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -270.041316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.041316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.041316 (E_RNA)
where:
Base-Base interactions energy: -180.787
where: short stacking energy: -76.813
Base-Backbone interact. energy: -0.143
local terms energy: -89.111208
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -20.991
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -20.017
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: 8
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -119.412608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.412608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.412608 (E_RNA)
where:
Base-Base interactions energy: -55.229
where: short stacking energy: -47.273
Base-Backbone interact. energy: -1.497
local terms energy: -62.687139
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -4.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -98.863915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.863915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.863915 (E_RNA)
where:
Base-Base interactions energy: -36.442
where: short stacking energy: -29.351
Base-Backbone interact. energy: -0.303
local terms energy: -62.118994
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -18.293
flat angles C4'-P-C4' energy: -18.862
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: 1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -97.066805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.066805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.066805 (E_RNA)
where:
Base-Base interactions energy: -26.732
where: short stacking energy: -26.392
Base-Backbone interact. energy: -0.197
local terms energy: -70.137621
where:
bonds (distance) C4'-P energy: -23.779
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: 0.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -120.901454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.901454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.901454 (E_RNA)
where:
Base-Base interactions energy: -69.869
where: short stacking energy: -51.144
Base-Backbone interact. energy: -0.206
local terms energy: -50.826844
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -9.409
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -4.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -335.504233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.504233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.504233 (E_RNA)
where:
Base-Base interactions energy: -225.610
where: short stacking energy: -96.892
Base-Backbone interact. energy: -0.109
local terms energy: -109.785301
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -25.423
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -26.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -327.436132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.436132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.436132 (E_RNA)
where:
Base-Base interactions energy: -226.460
where: short stacking energy: -97.707
Base-Backbone interact. energy: -0.209
local terms energy: -100.767483
where:
bonds (distance) C4'-P energy: -19.504
bonds (distance) P-C4' energy: -20.011
flat angles C4'-P-C4' energy: -20.471
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -28.057
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: 3, replica: 5
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -317.275477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.275477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.275477 (E_RNA)
where:
Base-Base interactions energy: -213.178
where: short stacking energy: -92.172
Base-Backbone interact. energy: 0.518
local terms energy: -104.615254
where:
bonds (distance) C4'-P energy: -19.668
bonds (distance) P-C4' energy: -23.481
flat angles C4'-P-C4' energy: -23.895
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -27.587
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: 430
Temperature: 1.050000
Total energy: -315.211276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.211276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.211276 (E_RNA)
where:
Base-Base interactions energy: -226.999
where: short stacking energy: -104.060
Base-Backbone interact. energy: -0.670
local terms energy: -87.542350
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -26.346
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: 6
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -269.689570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.689570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.689570 (E_RNA)
where:
Base-Base interactions energy: -188.453
where: short stacking energy: -76.238
Base-Backbone interact. energy: -0.203
local terms energy: -81.033094
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -15.521
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: 430
Temperature: 1.150000
Total energy: -267.993655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.993655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.993655 (E_RNA)
where:
Base-Base interactions energy: -188.670
where: short stacking energy: -76.909
Base-Backbone interact. energy: -0.607
local terms energy: -78.716235
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -23.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -117.328135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.328135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.328135 (E_RNA)
where:
Base-Base interactions energy: -59.212
where: short stacking energy: -41.342
Base-Backbone interact. energy: 0.486
local terms energy: -58.602057
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -19.909
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -7.375
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: 8, replica: 8
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -117.009672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.009672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.009672 (E_RNA)
where:
Base-Base interactions energy: -43.709
where: short stacking energy: -37.638
Base-Backbone interact. energy: -1.027
local terms energy: -72.274117
where:
bonds (distance) C4'-P energy: -23.425
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -19.578
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -114.875930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.875930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.875930 (E_RNA)
where:
Base-Base interactions energy: -44.922
where: short stacking energy: -33.243
Base-Backbone interact. energy: -0.227
local terms energy: -69.726834
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -22.914
flat angles C4'-P-C4' energy: -19.939
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: -2.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -89.877663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.877663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.877663 (E_RNA)
where:
Base-Base interactions energy: -42.650
where: short stacking energy: -29.424
Base-Backbone interact. energy: -0.418
local terms energy: -46.810317
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: 4.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -324.786269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.786269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.786269 (E_RNA)
where:
Base-Base interactions energy: -221.540
where: short stacking energy: -96.857
Base-Backbone interact. energy: -0.026
local terms energy: -103.219908
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -22.945
flat angles C4'-P-C4' energy: -20.502
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -26.648
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: 2, replica: 5
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -326.533074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.533074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.533074 (E_RNA)
where:
Base-Base interactions energy: -227.166
where: short stacking energy: -95.529
Base-Backbone interact. energy: -0.090
local terms energy: -99.276866
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -19.522
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -26.013
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: 9
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -316.110693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.110693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.110693 (E_RNA)
where:
Base-Base interactions energy: -223.468
where: short stacking energy: -88.713
Base-Backbone interact. energy: 2.104
local terms energy: -94.747190
where:
bonds (distance) C4'-P energy: -20.283
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -23.647
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: 6
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -286.164729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.164729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.164729 (E_RNA)
where:
Base-Base interactions energy: -196.897
where: short stacking energy: -80.730
Base-Backbone interact. energy: -0.144
local terms energy: -89.123882
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -22.276
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -18.208
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: 7
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -301.608157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.608157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.608157 (E_RNA)
where:
Base-Base interactions energy: -207.118
where: short stacking energy: -83.617
Base-Backbone interact. energy: -0.180
local terms energy: -94.310201
where:
bonds (distance) C4'-P energy: -18.759
bonds (distance) P-C4' energy: -19.075
flat angles C4'-P-C4' energy: -21.610
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -19.823
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: 431
Temperature: 1.150000
Total energy: -260.030459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.030459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.030459 (E_RNA)
where:
Base-Base interactions energy: -168.500
where: short stacking energy: -69.338
Base-Backbone interact. energy: -0.014
local terms energy: -91.516489
where:
bonds (distance) C4'-P energy: -19.208
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -23.246
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -18.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -122.308532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.308532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.308532 (E_RNA)
where:
Base-Base interactions energy: -52.088
where: short stacking energy: -44.711
Base-Backbone interact. energy: -1.200
local terms energy: -69.020684
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: -7.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -111.154921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.154921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.154921 (E_RNA)
where:
Base-Base interactions energy: -35.671
where: short stacking energy: -36.524
Base-Backbone interact. energy: -0.379
local terms energy: -75.105527
where:
bonds (distance) C4'-P energy: -18.767
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -20.333
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -1.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -109.390911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.390911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.390911 (E_RNA)
where:
Base-Base interactions energy: -46.519
where: short stacking energy: -29.163
Base-Backbone interact. energy: -0.044
local terms energy: -62.827154
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -11.743
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: 10, replica: 3
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -111.244237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.244237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.244237 (E_RNA)
where:
Base-Base interactions energy: -39.261
where: short stacking energy: -37.323
Base-Backbone interact. energy: -0.164
local terms energy: -71.818335
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -8.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -347.123460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.123460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.123460 (E_RNA)
where:
Base-Base interactions energy: -243.564
where: short stacking energy: -98.770
Base-Backbone interact. energy: -0.073
local terms energy: -103.486056
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -25.012
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: -26.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -326.347639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.347639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.347639 (E_RNA)
where:
Base-Base interactions energy: -231.286
where: short stacking energy: -96.286
Base-Backbone interact. energy: 0.237
local terms energy: -95.298848
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -19.885
flat angles C4'-P-C4' energy: -18.873
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -25.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -317.458439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.458439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.458439 (E_RNA)
where:
Base-Base interactions energy: -215.508
where: short stacking energy: -85.432
Base-Backbone interact. energy: -0.717
local terms energy: -101.233893
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -20.127
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -15.011
tors. eta vs tors. theta energy: -29.280
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: 6
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -298.355397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.355397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.355397 (E_RNA)
where:
Base-Base interactions energy: -210.303
where: short stacking energy: -82.109
Base-Backbone interact. energy: -1.121
local terms energy: -86.931547
where:
bonds (distance) C4'-P energy: -24.148
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -19.510
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: 5, replica: 7
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -298.081508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.081508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.081508 (E_RNA)
where:
Base-Base interactions energy: -204.459
where: short stacking energy: -87.052
Base-Backbone interact. energy: -0.777
local terms energy: -92.845752
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -20.753
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -21.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -276.378335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.378335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.378335 (E_RNA)
where:
Base-Base interactions energy: -189.058
where: short stacking energy: -71.963
Base-Backbone interact. energy: -0.141
local terms energy: -87.179049
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -22.995
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -18.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -125.170671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.170671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.170671 (E_RNA)
where:
Base-Base interactions energy: -51.525
where: short stacking energy: -51.434
Base-Backbone interact. energy: 0.102
local terms energy: -73.747215
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -16.624
tors. eta vs tors. theta energy: -10.943
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: 8, replica: 10
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -122.745949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.745949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.745949 (E_RNA)
where:
Base-Base interactions energy: -55.008
where: short stacking energy: -45.330
Base-Backbone interact. energy: -0.049
local terms energy: -67.688672
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -4.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -124.061662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.061662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.061662 (E_RNA)
where:
Base-Base interactions energy: -49.021
where: short stacking energy: -44.417
Base-Backbone interact. energy: -0.375
local terms energy: -74.666370
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -10.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -106.845214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.845214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.845214 (E_RNA)
where:
Base-Base interactions energy: -44.894
where: short stacking energy: -33.960
Base-Backbone interact. energy: 4.718
local terms energy: -66.668702
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -17.876
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -0.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -326.666360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.666360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.666360 (E_RNA)
where:
Base-Base interactions energy: -222.299
where: short stacking energy: -97.537
Base-Backbone interact. energy: -0.118
local terms energy: -104.249085
where:
bonds (distance) C4'-P energy: -24.732
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -20.513
flat angles P-C4'-P energy: -16.441
tors. eta vs tors. theta energy: -25.819
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: 2, replica: 9
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -316.193708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.193708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.193708 (E_RNA)
where:
Base-Base interactions energy: -218.549
where: short stacking energy: -89.522
Base-Backbone interact. energy: -0.459
local terms energy: -97.185047
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -24.153
flat angles P-C4'-P energy: -17.697
tors. eta vs tors. theta energy: -21.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -319.871904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.871904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.871904 (E_RNA)
where:
Base-Base interactions energy: -212.157
where: short stacking energy: -92.278
Base-Backbone interact. energy: -0.124
local terms energy: -107.590920
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -24.573
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -15.979
tors. eta vs tors. theta energy: -28.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -305.931379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.931379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.931379 (E_RNA)
where:
Base-Base interactions energy: -200.001
where: short stacking energy: -98.955
Base-Backbone interact. energy: -0.258
local terms energy: -105.673103
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -21.481
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: -26.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -280.533983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.533983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.533983 (E_RNA)
where:
Base-Base interactions energy: -195.254
where: short stacking energy: -79.451
Base-Backbone interact. energy: -0.049
local terms energy: -85.231547
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -20.078
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -18.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -265.347450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.347450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.347450 (E_RNA)
where:
Base-Base interactions energy: -176.916
where: short stacking energy: -76.997
Base-Backbone interact. energy: 1.241
local terms energy: -89.672503
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -18.127
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -20.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -131.243619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.243619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.243619 (E_RNA)
where:
Base-Base interactions energy: -73.073
where: short stacking energy: -37.692
Base-Backbone interact. energy: -0.294
local terms energy: -57.876351
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -8.878
flat angles P-C4'-P energy: -14.337
tors. eta vs tors. theta energy: -0.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -128.103915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.103915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.103915 (E_RNA)
where:
Base-Base interactions energy: -52.870
where: short stacking energy: -52.870
Base-Backbone interact. energy: -0.117
local terms energy: -75.116132
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -11.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -107.420318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.420318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.420318 (E_RNA)
where:
Base-Base interactions energy: -50.687
where: short stacking energy: -29.997
Base-Backbone interact. energy: -0.099
local terms energy: -56.633659
where:
bonds (distance) C4'-P energy: -18.920
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: 0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -104.540778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.540778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.540778 (E_RNA)
where:
Base-Base interactions energy: -41.433
where: short stacking energy: -41.104
Base-Backbone interact. energy: -0.290
local terms energy: -62.817878
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -9.980
flat angles P-C4'-P energy: -14.669
tors. eta vs tors. theta energy: -6.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -326.796369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.796369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.796369 (E_RNA)
where:
Base-Base interactions energy: -222.916
where: short stacking energy: -86.475
Base-Backbone interact. energy: -0.236
local terms energy: -103.644269
where:
bonds (distance) C4'-P energy: -21.445
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -16.539
tors. eta vs tors. theta energy: -22.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -332.104133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.104133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.104133 (E_RNA)
where:
Base-Base interactions energy: -231.614
where: short stacking energy: -99.819
Base-Backbone interact. energy: 0.207
local terms energy: -100.697138
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -23.859
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -28.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -315.554365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.554365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.554365 (E_RNA)
where:
Base-Base interactions energy: -210.894
where: short stacking energy: -78.952
Base-Backbone interact. energy: 0.726
local terms energy: -105.386358
where:
bonds (distance) C4'-P energy: -19.049
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -26.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -305.115348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.115348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.115348 (E_RNA)
where:
Base-Base interactions energy: -210.900
where: short stacking energy: -89.651
Base-Backbone interact. energy: 0.310
local terms energy: -94.525397
where:
bonds (distance) C4'-P energy: -17.877
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -28.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -272.195013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.195013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.195013 (E_RNA)
where:
Base-Base interactions energy: -197.406
where: short stacking energy: -82.451
Base-Backbone interact. energy: 0.353
local terms energy: -75.141935
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -5.355
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: 6, replica: 6
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -277.988636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.988636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.988636 (E_RNA)
where:
Base-Base interactions energy: -196.669
where: short stacking energy: -81.877
Base-Backbone interact. energy: -0.117
local terms energy: -81.202654
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -20.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -121.185982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.185982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.185982 (E_RNA)
where:
Base-Base interactions energy: -46.819
where: short stacking energy: -39.913
Base-Backbone interact. energy: 0.098
local terms energy: -74.464846
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -11.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -110.338515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.338515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.338515 (E_RNA)
where:
Base-Base interactions energy: -40.977
where: short stacking energy: -35.545
Base-Backbone interact. energy: -0.224
local terms energy: -69.137483
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -20.431
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -120.428295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.428295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.428295 (E_RNA)
where:
Base-Base interactions energy: -46.256
where: short stacking energy: -44.465
Base-Backbone interact. energy: -0.489
local terms energy: -73.682698
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -18.328
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -12.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -102.967155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.967155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.967155 (E_RNA)
where:
Base-Base interactions energy: -47.793
where: short stacking energy: -40.683
Base-Backbone interact. energy: 0.295
local terms energy: -55.468868
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -11.898
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: 1, replica: 9
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -325.508204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.508204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.508204 (E_RNA)
where:
Base-Base interactions energy: -231.599
where: short stacking energy: -93.260
Base-Backbone interact. energy: -0.857
local terms energy: -93.051781
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -12.847
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: 2, replica: 2
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -322.310640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.310640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.310640 (E_RNA)
where:
Base-Base interactions energy: -209.669
where: short stacking energy: -95.869
Base-Backbone interact. energy: -0.715
local terms energy: -111.927453
where:
bonds (distance) C4'-P energy: -20.882
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -23.687
flat angles P-C4'-P energy: -16.645
tors. eta vs tors. theta energy: -29.680
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: 5
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -311.424450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.424450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.424450 (E_RNA)
where:
Base-Base interactions energy: -217.627
where: short stacking energy: -90.675
Base-Backbone interact. energy: -0.784
local terms energy: -93.013910
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -20.918
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -23.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -311.071820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.071820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.071820 (E_RNA)
where:
Base-Base interactions energy: -217.495
where: short stacking energy: -88.932
Base-Backbone interact. energy: -0.306
local terms energy: -93.270965
where:
bonds (distance) C4'-P energy: -21.449
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -20.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -280.378521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.378521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.378521 (E_RNA)
where:
Base-Base interactions energy: -197.187
where: short stacking energy: -72.787
Base-Backbone interact. energy: -0.513
local terms energy: -82.679029
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -21.300
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -16.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -263.849364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.849364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.849364 (E_RNA)
where:
Base-Base interactions energy: -183.595
where: short stacking energy: -77.040
Base-Backbone interact. energy: -0.104
local terms energy: -80.150359
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -8.827
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: 7, replica: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -118.989051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.989051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.989051 (E_RNA)
where:
Base-Base interactions energy: -49.603
where: short stacking energy: -39.678
Base-Backbone interact. energy: -0.154
local terms energy: -69.231641
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -22.394
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -2.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -130.797157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.797157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.797157 (E_RNA)
where:
Base-Base interactions energy: -58.580
where: short stacking energy: -58.352
Base-Backbone interact. energy: -0.284
local terms energy: -71.932760
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -20.269
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -6.097
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: 9, replica: 1
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -117.184545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.184545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.184545 (E_RNA)
where:
Base-Base interactions energy: -54.273
where: short stacking energy: -44.019
Base-Backbone interact. energy: -0.380
local terms energy: -62.531739
where:
bonds (distance) C4'-P energy: -7.248
bonds (distance) P-C4' energy: -20.349
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -6.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -115.840773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.840773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.840773 (E_RNA)
where:
Base-Base interactions energy: -46.200
where: short stacking energy: -43.384
Base-Backbone interact. energy: -0.268
local terms energy: -69.373463
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -18.608
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -9.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -333.678863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.678863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.678863 (E_RNA)
where:
Base-Base interactions energy: -227.521
where: short stacking energy: -98.989
Base-Backbone interact. energy: 0.956
local terms energy: -107.113691
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -24.121
flat angles C4'-P-C4' energy: -20.784
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -28.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -321.470263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.470263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.470263 (E_RNA)
where:
Base-Base interactions energy: -225.353
where: short stacking energy: -93.323
Base-Backbone interact. energy: -0.677
local terms energy: -95.440533
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -20.789
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -24.198
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: 7
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -323.484802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.484802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.484802 (E_RNA)
where:
Base-Base interactions energy: -217.841
where: short stacking energy: -97.084
Base-Backbone interact. energy: -0.103
local terms energy: -105.540366
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -19.298
tors. eta vs tors. theta energy: -24.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -307.663929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.663929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.663929 (E_RNA)
where:
Base-Base interactions energy: -212.428
where: short stacking energy: -87.746
Base-Backbone interact. energy: -0.123
local terms energy: -95.113157
where:
bonds (distance) C4'-P energy: -16.713
bonds (distance) P-C4' energy: -20.164
flat angles C4'-P-C4' energy: -22.736
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -24.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -275.782628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.782628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.782628 (E_RNA)
where:
Base-Base interactions energy: -177.577
where: short stacking energy: -77.475
Base-Backbone interact. energy: -0.090
local terms energy: -98.115191
where:
bonds (distance) C4'-P energy: -20.558
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -22.837
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -24.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -264.496825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.496825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.496825 (E_RNA)
where:
Base-Base interactions energy: -176.914
where: short stacking energy: -70.757
Base-Backbone interact. energy: -0.024
local terms energy: -87.558586
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -19.184
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -22.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -114.030677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.030677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.030677 (E_RNA)
where:
Base-Base interactions energy: -46.861
where: short stacking energy: -46.623
Base-Backbone interact. energy: 1.146
local terms energy: -68.315124
where:
bonds (distance) C4'-P energy: -18.507
bonds (distance) P-C4' energy: -18.803
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -4.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -110.275627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.275627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.275627 (E_RNA)
where:
Base-Base interactions energy: -45.507
where: short stacking energy: -41.862
Base-Backbone interact. energy: 0.182
local terms energy: -64.950978
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -20.867
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: 0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -119.546775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.546775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.546775 (E_RNA)
where:
Base-Base interactions energy: -52.815
where: short stacking energy: -46.549
Base-Backbone interact. energy: 0.219
local terms energy: -66.950640
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -12.565
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: 10
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -101.661323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.661323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.661323 (E_RNA)
where:
Base-Base interactions energy: -46.653
where: short stacking energy: -36.292
Base-Backbone interact. energy: -0.657
local terms energy: -54.351169
where:
bonds (distance) C4'-P energy: -17.603
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -2.687
tors. eta vs tors. theta energy: -2.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -332.631538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.631538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.631538 (E_RNA)
where:
Base-Base interactions energy: -222.149
where: short stacking energy: -95.150
Base-Backbone interact. energy: 0.263
local terms energy: -110.745839
where:
bonds (distance) C4'-P energy: -22.455
bonds (distance) P-C4' energy: -21.335
flat angles C4'-P-C4' energy: -23.430
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -29.060
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: 7
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -321.767571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.767571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.767571 (E_RNA)
where:
Base-Base interactions energy: -224.432
where: short stacking energy: -97.743
Base-Backbone interact. energy: -0.397
local terms energy: -96.938871
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -20.876
flat angles P-C4'-P energy: -16.344
tors. eta vs tors. theta energy: -25.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -322.170431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.170431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.170431 (E_RNA)
where:
Base-Base interactions energy: -220.187
where: short stacking energy: -92.889
Base-Backbone interact. energy: -0.667
local terms energy: -101.316584
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -20.164
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: -26.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -323.546618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.546618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.546618 (E_RNA)
where:
Base-Base interactions energy: -229.618
where: short stacking energy: -93.670
Base-Backbone interact. energy: -0.313
local terms energy: -93.615719
where:
bonds (distance) C4'-P energy: -20.532
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -21.313
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -25.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -262.647969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.647969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.647969 (E_RNA)
where:
Base-Base interactions energy: -184.376
where: short stacking energy: -66.086
Base-Backbone interact. energy: -0.444
local terms energy: -77.827913
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -19.599
flat angles C4'-P-C4' energy: -19.185
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -14.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -203.018859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.018859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.018859 (E_RNA)
where:
Base-Base interactions energy: -121.134
where: short stacking energy: -44.805
Base-Backbone interact. energy: -1.121
local terms energy: -80.764269
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -24.625
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -14.808
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: 3
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -134.977820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.977820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.977820 (E_RNA)
where:
Base-Base interactions energy: -75.114
where: short stacking energy: -38.240
Base-Backbone interact. energy: 0.337
local terms energy: -60.200981
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -22.311
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: 4.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -105.109079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.109079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.109079 (E_RNA)
where:
Base-Base interactions energy: -43.827
where: short stacking energy: -30.948
Base-Backbone interact. energy: -0.149
local terms energy: -61.133370
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -0.444
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: 9, replica: 8
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -108.853269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.853269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.853269 (E_RNA)
where:
Base-Base interactions energy: -54.650
where: short stacking energy: -37.388
Base-Backbone interact. energy: -0.206
local terms energy: -53.997377
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: 0.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -103.482704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.482704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.482704 (E_RNA)
where:
Base-Base interactions energy: -40.235
where: short stacking energy: -36.805
Base-Backbone interact. energy: -0.132
local terms energy: -63.115786
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -0.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -330.519413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.519413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.519413 (E_RNA)
where:
Base-Base interactions energy: -220.073
where: short stacking energy: -93.948
Base-Backbone interact. energy: -0.494
local terms energy: -109.951928
where:
bonds (distance) C4'-P energy: -20.645
bonds (distance) P-C4' energy: -23.365
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -28.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -317.842305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.842305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.842305 (E_RNA)
where:
Base-Base interactions energy: -217.493
where: short stacking energy: -95.304
Base-Backbone interact. energy: -0.093
local terms energy: -100.255903
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -20.274
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -16.971
tors. eta vs tors. theta energy: -24.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -313.024078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.024078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.024078 (E_RNA)
where:
Base-Base interactions energy: -213.626
where: short stacking energy: -90.423
Base-Backbone interact. energy: -0.228
local terms energy: -99.170715
where:
bonds (distance) C4'-P energy: -22.488
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -20.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -307.833686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.833686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.833686 (E_RNA)
where:
Base-Base interactions energy: -208.819
where: short stacking energy: -86.676
Base-Backbone interact. energy: -0.272
local terms energy: -98.742482
where:
bonds (distance) C4'-P energy: -22.511
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -23.820
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -246.911038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.911038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.911038 (E_RNA)
where:
Base-Base interactions energy: -165.090
where: short stacking energy: -74.173
Base-Backbone interact. energy: -0.001
local terms energy: -81.819893
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -22.165
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -16.973
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: 4
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -190.273180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.273180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.273180 (E_RNA)
where:
Base-Base interactions energy: -104.623
where: short stacking energy: -59.821
Base-Backbone interact. energy: -0.251
local terms energy: -85.399212
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -23.417
flat angles C4'-P-C4' energy: -19.007
flat angles P-C4'-P energy: -13.054
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: 7, replica: 1
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -121.979677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.979677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.979677 (E_RNA)
where:
Base-Base interactions energy: -48.023
where: short stacking energy: -47.984
Base-Backbone interact. energy: 1.708
local terms energy: -75.664425
where:
bonds (distance) C4'-P energy: -21.611
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -13.220
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: 8, replica: 3
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -108.718089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.718089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.718089 (E_RNA)
where:
Base-Base interactions energy: -45.230
where: short stacking energy: -32.364
Base-Backbone interact. energy: -0.165
local terms energy: -63.323010
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -19.029
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: 2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -103.430479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.430479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.430479 (E_RNA)
where:
Base-Base interactions energy: -39.165
where: short stacking energy: -34.364
Base-Backbone interact. energy: 1.912
local terms energy: -66.178045
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -1.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -97.426154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.426154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.426154 (E_RNA)
where:
Base-Base interactions energy: -37.026
where: short stacking energy: -31.445
Base-Backbone interact. energy: -0.227
local terms energy: -60.172978
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -18.317
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -5.480
tors. eta vs tors. theta energy: -0.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -333.501000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.501000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.501000 (E_RNA)
where:
Base-Base interactions energy: -222.617
where: short stacking energy: -100.599
Base-Backbone interact. energy: 0.039
local terms energy: -110.923199
where:
bonds (distance) C4'-P energy: -23.527
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -22.352
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -29.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -319.235333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.235333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.235333 (E_RNA)
where:
Base-Base interactions energy: -214.101
where: short stacking energy: -89.808
Base-Backbone interact. energy: -0.828
local terms energy: -104.306103
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -21.534
flat angles C4'-P-C4' energy: -22.592
flat angles P-C4'-P energy: -17.116
tors. eta vs tors. theta energy: -23.522
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: 2
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -315.804187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.804187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.804187 (E_RNA)
where:
Base-Base interactions energy: -225.460
where: short stacking energy: -101.968
Base-Backbone interact. energy: -0.174
local terms energy: -90.170223
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -29.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -253.508909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.508909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.508909 (E_RNA)
where:
Base-Base interactions energy: -171.219
where: short stacking energy: -80.234
Base-Backbone interact. energy: 0.179
local terms energy: -82.468213
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -15.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -300.397371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.397371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.397371 (E_RNA)
where:
Base-Base interactions energy: -200.783
where: short stacking energy: -82.991
Base-Backbone interact. energy: -0.272
local terms energy: -99.342655
where:
bonds (distance) C4'-P energy: -21.351
bonds (distance) P-C4' energy: -21.339
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -25.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -209.431091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.431091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.431091 (E_RNA)
where:
Base-Base interactions energy: -128.216
where: short stacking energy: -66.721
Base-Backbone interact. energy: -1.977
local terms energy: -79.238250
where:
bonds (distance) C4'-P energy: -18.423
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -14.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -126.776578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.776578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.776578 (E_RNA)
where:
Base-Base interactions energy: -57.397
where: short stacking energy: -45.418
Base-Backbone interact. energy: -0.112
local terms energy: -69.267633
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -21.667
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -8.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -122.885314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.885314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.885314 (E_RNA)
where:
Base-Base interactions energy: -62.505
where: short stacking energy: -35.066
Base-Backbone interact. energy: 0.164
local terms energy: -60.544207
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -22.623
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -5.209
tors. eta vs tors. theta energy: -4.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -104.508234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.508234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.508234 (E_RNA)
where:
Base-Base interactions energy: -35.604
where: short stacking energy: -35.604
Base-Backbone interact. energy: -0.114
local terms energy: -68.789946
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -18.011
flat angles C4'-P-C4' energy: -20.999
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -2.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -103.515030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.515030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.515030 (E_RNA)
where:
Base-Base interactions energy: -37.925
where: short stacking energy: -36.040
Base-Backbone interact. energy: -0.634
local terms energy: -64.955774
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -328.028942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.028942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.028942 (E_RNA)
where:
Base-Base interactions energy: -222.245
where: short stacking energy: -98.084
Base-Backbone interact. energy: -0.432
local terms energy: -105.351852
where:
bonds (distance) C4'-P energy: -22.504
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -24.248
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: 2, replica: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -325.292617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.292617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.292617 (E_RNA)
where:
Base-Base interactions energy: -216.841
where: short stacking energy: -90.063
Base-Backbone interact. energy: -0.493
local terms energy: -107.959098
where:
bonds (distance) C4'-P energy: -24.114
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -22.769
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -25.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -320.665057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.665057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.665057 (E_RNA)
where:
Base-Base interactions energy: -220.280
where: short stacking energy: -96.190
Base-Backbone interact. energy: 0.387
local terms energy: -100.772357
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -20.705
flat angles P-C4'-P energy: -16.573
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: 4, replica: 6
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -271.124221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.124221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.124221 (E_RNA)
where:
Base-Base interactions energy: -183.901
where: short stacking energy: -63.811
Base-Backbone interact. energy: -0.140
local terms energy: -87.083537
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -19.511
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -16.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -304.766469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.766469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.766469 (E_RNA)
where:
Base-Base interactions energy: -211.056
where: short stacking energy: -88.564
Base-Backbone interact. energy: 0.026
local terms energy: -93.736844
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -20.013
flat angles C4'-P-C4' energy: -21.210
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -23.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -208.951269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.951269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.951269 (E_RNA)
where:
Base-Base interactions energy: -125.570
where: short stacking energy: -62.948
Base-Backbone interact. energy: 0.260
local terms energy: -83.641350
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -149.239335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.239335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.239335 (E_RNA)
where:
Base-Base interactions energy: -80.191
where: short stacking energy: -58.788
Base-Backbone interact. energy: -0.366
local terms energy: -68.681886
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -18.450
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -8.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -128.212386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.212386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.212386 (E_RNA)
where:
Base-Base interactions energy: -61.339
where: short stacking energy: -40.911
Base-Backbone interact. energy: 0.101
local terms energy: -66.974586
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -19.419
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: -3.213
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: 9, replica: 10
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -110.176819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.176819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.176819 (E_RNA)
where:
Base-Base interactions energy: -47.400
where: short stacking energy: -24.767
Base-Backbone interact. energy: -0.672
local terms energy: -62.104685
where:
bonds (distance) C4'-P energy: -21.800
bonds (distance) P-C4' energy: -22.328
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: 2.407
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: 3
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -105.606006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.606006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.606006 (E_RNA)
where:
Base-Base interactions energy: -43.061
where: short stacking energy: -23.138
Base-Backbone interact. energy: -0.278
local terms energy: -62.267442
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -1.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -329.449589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.449589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.449589 (E_RNA)
where:
Base-Base interactions energy: -227.276
where: short stacking energy: -101.480
Base-Backbone interact. energy: -0.132
local terms energy: -102.041878
where:
bonds (distance) C4'-P energy: -20.886
bonds (distance) P-C4' energy: -20.405
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -26.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -324.815857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.815857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.815857 (E_RNA)
where:
Base-Base interactions energy: -232.865
where: short stacking energy: -94.166
Base-Backbone interact. energy: -0.130
local terms energy: -91.821192
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -21.216
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -26.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -308.975299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.975299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.975299 (E_RNA)
where:
Base-Base interactions energy: -205.095
where: short stacking energy: -91.122
Base-Backbone interact. energy: -0.107
local terms energy: -103.773530
where:
bonds (distance) C4'-P energy: -20.583
bonds (distance) P-C4' energy: -22.849
flat angles C4'-P-C4' energy: -21.204
flat angles P-C4'-P energy: -17.808
tors. eta vs tors. theta energy: -21.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -301.573033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.573033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.573033 (E_RNA)
where:
Base-Base interactions energy: -204.510
where: short stacking energy: -89.155
Base-Backbone interact. energy: -0.097
local terms energy: -96.965983
where:
bonds (distance) C4'-P energy: -19.926
bonds (distance) P-C4' energy: -21.680
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -26.648
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: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -271.881262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.881262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.881262 (E_RNA)
where:
Base-Base interactions energy: -186.803
where: short stacking energy: -65.975
Base-Backbone interact. energy: -0.061
local terms energy: -85.016815
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -22.055
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -17.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -213.046633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.046633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.046633 (E_RNA)
where:
Base-Base interactions energy: -129.108
where: short stacking energy: -59.458
Base-Backbone interact. energy: -0.190
local terms energy: -83.748647
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -21.877
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -15.857
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: 441
Temperature: 1.200000
Total energy: -120.627369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.627369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.627369 (E_RNA)
where:
Base-Base interactions energy: -44.397
where: short stacking energy: -40.755
Base-Backbone interact. energy: -0.296
local terms energy: -75.934733
where:
bonds (distance) C4'-P energy: -20.497
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: -5.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -152.904276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.904276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.904276 (E_RNA)
where:
Base-Base interactions energy: -87.750
where: short stacking energy: -47.994
Base-Backbone interact. energy: -0.682
local terms energy: -64.471724
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -23.729
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -3.170
tors. eta vs tors. theta energy: -3.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -99.141307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.141307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.141307 (E_RNA)
where:
Base-Base interactions energy: -38.319
where: short stacking energy: -32.534
Base-Backbone interact. energy: -0.630
local terms energy: -60.191610
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -18.941
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -105.256101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.256101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.256101 (E_RNA)
where:
Base-Base interactions energy: -44.659
where: short stacking energy: -41.584
Base-Backbone interact. energy: -0.181
local terms energy: -60.416157
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -4.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -328.399110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.399110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.399110 (E_RNA)
where:
Base-Base interactions energy: -229.217
where: short stacking energy: -97.886
Base-Backbone interact. energy: -1.153
local terms energy: -98.028928
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -22.138
flat angles C4'-P-C4' energy: -20.663
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -25.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -327.240461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.240461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.240461 (E_RNA)
where:
Base-Base interactions energy: -226.147
where: short stacking energy: -98.226
Base-Backbone interact. energy: -0.185
local terms energy: -100.908600
where:
bonds (distance) C4'-P energy: -17.747
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -22.579
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -28.837
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: 3, replica: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -317.154644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.154644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.154644 (E_RNA)
where:
Base-Base interactions energy: -217.867
where: short stacking energy: -90.657
Base-Backbone interact. energy: 0.068
local terms energy: -99.355429
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -19.648
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -27.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -319.692227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.692227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.692227 (E_RNA)
where:
Base-Base interactions energy: -225.418
where: short stacking energy: -94.040
Base-Backbone interact. energy: -0.249
local terms energy: -94.025731
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -16.793
tors. eta vs tors. theta energy: -26.644
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: 5, replica: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -273.685140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.685140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.685140 (E_RNA)
where:
Base-Base interactions energy: -176.084
where: short stacking energy: -71.776
Base-Backbone interact. energy: -1.047
local terms energy: -96.553830
where:
bonds (distance) C4'-P energy: -20.116
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -11.934
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: 6, replica: 4
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -200.390314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.390314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.390314 (E_RNA)
where:
Base-Base interactions energy: -119.270
where: short stacking energy: -72.213
Base-Backbone interact. energy: -0.394
local terms energy: -80.726184
where:
bonds (distance) C4'-P energy: -19.198
bonds (distance) P-C4' energy: -18.352
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -16.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -131.257694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.257694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.257694 (E_RNA)
where:
Base-Base interactions energy: -76.568
where: short stacking energy: -47.905
Base-Backbone interact. energy: -0.653
local terms energy: -54.036612
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -8.583
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -7.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -120.473228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.473228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.473228 (E_RNA)
where:
Base-Base interactions energy: -45.319
where: short stacking energy: -39.916
Base-Backbone interact. energy: -0.160
local terms energy: -74.994304
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -7.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -107.038497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.038497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.038497 (E_RNA)
where:
Base-Base interactions energy: -49.769
where: short stacking energy: -32.733
Base-Backbone interact. energy: 3.607
local terms energy: -60.875863
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -21.183
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -15.183
tors. eta vs tors. theta energy: -0.595
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: 10, replica: 1
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -101.531567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.531567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.531567 (E_RNA)
where:
Base-Base interactions energy: -42.668
where: short stacking energy: -30.721
Base-Backbone interact. energy: -0.129
local terms energy: -58.734667
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -5.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -329.052027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.052027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.052027 (E_RNA)
where:
Base-Base interactions energy: -230.643
where: short stacking energy: -102.815
Base-Backbone interact. energy: -0.530
local terms energy: -97.878604
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -20.310
flat angles C4'-P-C4' energy: -21.071
flat angles P-C4'-P energy: -15.301
tors. eta vs tors. theta energy: -27.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -317.923862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.923862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.923862 (E_RNA)
where:
Base-Base interactions energy: -211.643
where: short stacking energy: -92.958
Base-Backbone interact. energy: -0.669
local terms energy: -105.612007
where:
bonds (distance) C4'-P energy: -19.759
bonds (distance) P-C4' energy: -21.972
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -27.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -321.664466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.664466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.664466 (E_RNA)
where:
Base-Base interactions energy: -223.109
where: short stacking energy: -96.854
Base-Backbone interact. energy: -1.164
local terms energy: -97.391259
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -17.986
flat angles C4'-P-C4' energy: -21.969
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -28.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -317.425947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.425947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.425947 (E_RNA)
where:
Base-Base interactions energy: -212.251
where: short stacking energy: -96.015
Base-Backbone interact. energy: -0.091
local terms energy: -105.083844
where:
bonds (distance) C4'-P energy: -21.366
bonds (distance) P-C4' energy: -20.295
flat angles C4'-P-C4' energy: -23.979
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -26.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -269.506626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.506626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.506626 (E_RNA)
where:
Base-Base interactions energy: -181.223
where: short stacking energy: -73.357
Base-Backbone interact. energy: -0.235
local terms energy: -88.048116
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -23.178
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -19.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -221.180953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.180953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.180953 (E_RNA)
where:
Base-Base interactions energy: -138.484
where: short stacking energy: -57.899
Base-Backbone interact. energy: -0.544
local terms energy: -82.152852
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -17.563
tors. eta vs tors. theta energy: -11.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -129.585335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.585335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.585335 (E_RNA)
where:
Base-Base interactions energy: -66.463
where: short stacking energy: -51.377
Base-Backbone interact. energy: -0.783
local terms energy: -62.339239
where:
bonds (distance) C4'-P energy: -17.405
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -5.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -114.772107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.772107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.772107 (E_RNA)
where:
Base-Base interactions energy: -49.851
where: short stacking energy: -48.866
Base-Backbone interact. energy: -0.183
local terms energy: -64.738819
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -10.589
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: 9, replica: 3
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -110.061269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.061269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.061269 (E_RNA)
where:
Base-Base interactions energy: -50.033
where: short stacking energy: -43.816
Base-Backbone interact. energy: -0.183
local terms energy: -59.845915
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -1.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -110.794739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.794739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.794739 (E_RNA)
where:
Base-Base interactions energy: -49.153
where: short stacking energy: -39.738
Base-Backbone interact. energy: 3.218
local terms energy: -64.859376
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -8.751
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: 1, replica: 7
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -332.342382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.342382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.342382 (E_RNA)
where:
Base-Base interactions energy: -225.291
where: short stacking energy: -96.706
Base-Backbone interact. energy: -0.539
local terms energy: -106.511919
where:
bonds (distance) C4'-P energy: -20.046
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: -29.034
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: 5
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -325.669068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.669068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.669068 (E_RNA)
where:
Base-Base interactions energy: -220.982
where: short stacking energy: -103.982
Base-Backbone interact. energy: 0.639
local terms energy: -105.326447
where:
bonds (distance) C4'-P energy: -18.998
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -32.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -324.485508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.485508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.485508 (E_RNA)
where:
Base-Base interactions energy: -217.040
where: short stacking energy: -91.076
Base-Backbone interact. energy: -0.178
local terms energy: -107.267882
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -23.129
flat angles C4'-P-C4' energy: -21.734
flat angles P-C4'-P energy: -16.519
tors. eta vs tors. theta energy: -28.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -307.953246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.953246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.953246 (E_RNA)
where:
Base-Base interactions energy: -212.281
where: short stacking energy: -90.373
Base-Backbone interact. energy: -0.171
local terms energy: -95.500603
where:
bonds (distance) C4'-P energy: -19.148
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -23.871
flat angles P-C4'-P energy: -11.600
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: 5, replica: 6
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -286.129851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.129851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.129851 (E_RNA)
where:
Base-Base interactions energy: -192.392
where: short stacking energy: -86.025
Base-Backbone interact. energy: -0.040
local terms energy: -93.697344
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -25.304
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: 444
Temperature: 1.150000
Total energy: -208.492809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.492809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.492809 (E_RNA)
where:
Base-Base interactions energy: -131.720
where: short stacking energy: -58.174
Base-Backbone interact. energy: -1.291
local terms energy: -75.481806
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -13.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -125.479640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.479640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.479640 (E_RNA)
where:
Base-Base interactions energy: -53.024
where: short stacking energy: -45.081
Base-Backbone interact. energy: -1.981
local terms energy: -70.474812
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -23.685
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -8.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -113.872989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.872989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.872989 (E_RNA)
where:
Base-Base interactions energy: -49.297
where: short stacking energy: -47.420
Base-Backbone interact. energy: -0.254
local terms energy: -64.321574
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -6.776
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: 1
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -100.804728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.804728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.804728 (E_RNA)
where:
Base-Base interactions energy: -41.210
where: short stacking energy: -39.551
Base-Backbone interact. energy: 0.032
local terms energy: -59.626815
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -5.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -97.694721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.694721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.694721 (E_RNA)
where:
Base-Base interactions energy: -39.473
where: short stacking energy: -29.243
Base-Backbone interact. energy: -0.342
local terms energy: -57.879491
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -2.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -326.073856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.073856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.073856 (E_RNA)
where:
Base-Base interactions energy: -222.260
where: short stacking energy: -98.397
Base-Backbone interact. energy: -0.103
local terms energy: -103.710300
where:
bonds (distance) C4'-P energy: -19.743
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -18.049
tors. eta vs tors. theta energy: -26.297
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: 5
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -326.895245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.895245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.895245 (E_RNA)
where:
Base-Base interactions energy: -219.395
where: short stacking energy: -95.222
Base-Backbone interact. energy: -0.135
local terms energy: -107.365231
where:
bonds (distance) C4'-P energy: -21.533
bonds (distance) P-C4' energy: -22.229
flat angles C4'-P-C4' energy: -20.493
flat angles P-C4'-P energy: -17.561
tors. eta vs tors. theta energy: -25.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -324.152657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.152657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.152657 (E_RNA)
where:
Base-Base interactions energy: -231.013
where: short stacking energy: -102.751
Base-Backbone interact. energy: -0.195
local terms energy: -92.944536
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -18.726
flat angles C4'-P-C4' energy: -20.582
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -27.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -311.233673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.233673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.233673 (E_RNA)
where:
Base-Base interactions energy: -216.243
where: short stacking energy: -91.525
Base-Backbone interact. energy: -0.936
local terms energy: -94.054386
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -22.830
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -27.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -273.710308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.710308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.710308 (E_RNA)
where:
Base-Base interactions energy: -183.582
where: short stacking energy: -81.613
Base-Backbone interact. energy: 0.083
local terms energy: -90.211362
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -23.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -208.562111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.562111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.562111 (E_RNA)
where:
Base-Base interactions energy: -133.943
where: short stacking energy: -57.637
Base-Backbone interact. energy: -0.095
local terms energy: -74.523473
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -22.127
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -9.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -116.697126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.697126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.697126 (E_RNA)
where:
Base-Base interactions energy: -48.729
where: short stacking energy: -35.995
Base-Backbone interact. energy: 0.705
local terms energy: -68.673456
where:
bonds (distance) C4'-P energy: -18.817
bonds (distance) P-C4' energy: -20.335
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -102.036964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.036964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.036964 (E_RNA)
where:
Base-Base interactions energy: -41.933
where: short stacking energy: -34.603
Base-Backbone interact. energy: -0.603
local terms energy: -59.501320
where:
bonds (distance) C4'-P energy: -19.752
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -3.583
tors. eta vs tors. theta energy: 1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -102.747412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.747412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.747412 (E_RNA)
where:
Base-Base interactions energy: -45.829
where: short stacking energy: -36.481
Base-Backbone interact. energy: -0.271
local terms energy: -56.646512
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -16.546
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -5.379
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: 10, replica: 3
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -108.634322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.634322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.634322 (E_RNA)
where:
Base-Base interactions energy: -58.291
where: short stacking energy: -42.175
Base-Backbone interact. energy: -0.270
local terms energy: -50.073548
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -9.373
flat angles P-C4'-P energy: -1.074
tors. eta vs tors. theta energy: -4.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -328.934215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.934215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.934215 (E_RNA)
where:
Base-Base interactions energy: -223.509
where: short stacking energy: -99.824
Base-Backbone interact. energy: -0.113
local terms energy: -105.311966
where:
bonds (distance) C4'-P energy: -18.377
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -30.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -326.826470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.826470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.826470 (E_RNA)
where:
Base-Base interactions energy: -220.903
where: short stacking energy: -95.208
Base-Backbone interact. energy: -0.305
local terms energy: -105.618240
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -22.121
flat angles C4'-P-C4' energy: -22.415
flat angles P-C4'-P energy: -17.235
tors. eta vs tors. theta energy: -24.746
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: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -313.357070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.357070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.357070 (E_RNA)
where:
Base-Base interactions energy: -215.542
where: short stacking energy: -89.956
Base-Backbone interact. energy: -0.207
local terms energy: -97.608815
where:
bonds (distance) C4'-P energy: -22.314
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -25.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -306.706756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.706756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.706756 (E_RNA)
where:
Base-Base interactions energy: -220.145
where: short stacking energy: -92.283
Base-Backbone interact. energy: -0.093
local terms energy: -86.468604
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -16.566
flat angles C4'-P-C4' energy: -20.796
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -22.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -269.950007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.950007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.950007 (E_RNA)
where:
Base-Base interactions energy: -186.338
where: short stacking energy: -80.683
Base-Backbone interact. energy: -0.049
local terms energy: -83.563148
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -23.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -185.701210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.701210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.701210 (E_RNA)
where:
Base-Base interactions energy: -105.597
where: short stacking energy: -60.564
Base-Backbone interact. energy: -0.358
local terms energy: -79.745996
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -12.104
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: 7, replica: 10
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -118.845044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.845044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.845044 (E_RNA)
where:
Base-Base interactions energy: -49.644
where: short stacking energy: -45.592
Base-Backbone interact. energy: -0.162
local terms energy: -69.038694
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -21.027
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -137.422899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.422899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.422899 (E_RNA)
where:
Base-Base interactions energy: -76.207
where: short stacking energy: -36.700
Base-Backbone interact. energy: -0.486
local terms energy: -60.729702
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -16.922
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -0.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -113.597554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.597554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.597554 (E_RNA)
where:
Base-Base interactions energy: -52.129
where: short stacking energy: -40.354
Base-Backbone interact. energy: 0.417
local terms energy: -61.886113
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -21.383
flat angles P-C4'-P energy: -9.969
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: 3
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -121.313732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.313732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.313732 (E_RNA)
where:
Base-Base interactions energy: -61.977
where: short stacking energy: -50.581
Base-Backbone interact. energy: -0.222
local terms energy: -59.114616
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -19.093
flat angles C4'-P-C4' energy: -6.452
flat angles P-C4'-P energy: -10.108
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: 1, replica: 5
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -331.828943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.828943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.828943 (E_RNA)
where:
Base-Base interactions energy: -221.330
where: short stacking energy: -96.935
Base-Backbone interact. energy: 0.783
local terms energy: -111.281673
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -23.218
flat angles P-C4'-P energy: -15.898
tors. eta vs tors. theta energy: -27.335
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: 2, replica: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -324.247725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.247725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.247725 (E_RNA)
where:
Base-Base interactions energy: -217.874
where: short stacking energy: -92.487
Base-Backbone interact. energy: -0.471
local terms energy: -105.902461
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -22.186
flat angles P-C4'-P energy: -16.459
tors. eta vs tors. theta energy: -27.413
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: 3, replica: 7
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -311.515722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.515722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.515722 (E_RNA)
where:
Base-Base interactions energy: -209.523
where: short stacking energy: -86.152
Base-Backbone interact. energy: -0.611
local terms energy: -101.382313
where:
bonds (distance) C4'-P energy: -23.052
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -22.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -309.001834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.001834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.001834 (E_RNA)
where:
Base-Base interactions energy: -209.108
where: short stacking energy: -89.960
Base-Backbone interact. energy: 2.713
local terms energy: -102.607387
where:
bonds (distance) C4'-P energy: -19.611
bonds (distance) P-C4' energy: -17.913
flat angles C4'-P-C4' energy: -22.090
flat angles P-C4'-P energy: -18.101
tors. eta vs tors. theta energy: -24.892
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: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -267.926109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.926109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.926109 (E_RNA)
where:
Base-Base interactions energy: -180.530
where: short stacking energy: -74.169
Base-Backbone interact. energy: -0.344
local terms energy: -87.052308
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -19.431
flat angles P-C4'-P energy: -9.587
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: 6, replica: 4
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -207.307793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.307793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.307793 (E_RNA)
where:
Base-Base interactions energy: -111.228
where: short stacking energy: -65.170
Base-Backbone interact. energy: -0.053
local terms energy: -96.026264
where:
bonds (distance) C4'-P energy: -20.448
bonds (distance) P-C4' energy: -21.381
flat angles C4'-P-C4' energy: -21.219
flat angles P-C4'-P energy: -13.270
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: 7, replica: 10
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -110.090710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.090710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.090710 (E_RNA)
where:
Base-Base interactions energy: -40.387
where: short stacking energy: -37.472
Base-Backbone interact. energy: -0.617
local terms energy: -69.087519
where:
bonds (distance) C4'-P energy: -22.265
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -3.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -121.095012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.095012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.095012 (E_RNA)
where:
Base-Base interactions energy: -53.616
where: short stacking energy: -28.315
Base-Backbone interact. energy: -0.518
local terms energy: -66.960406
where:
bonds (distance) C4'-P energy: -20.593
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -18.007
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -1.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -119.003637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.003637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.003637 (E_RNA)
where:
Base-Base interactions energy: -54.383
where: short stacking energy: -30.207
Base-Backbone interact. energy: 0.275
local terms energy: -64.895655
where:
bonds (distance) C4'-P energy: -22.914
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: 2.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -115.223276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.223276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.223276 (E_RNA)
where:
Base-Base interactions energy: -42.001
where: short stacking energy: -42.001
Base-Backbone interact. energy: -0.751
local terms energy: -72.471186
where:
bonds (distance) C4'-P energy: -20.183
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -7.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -329.327800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.327800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.327800 (E_RNA)
where:
Base-Base interactions energy: -223.907
where: short stacking energy: -98.932
Base-Backbone interact. energy: -0.104
local terms energy: -105.316940
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -22.763
flat angles P-C4'-P energy: -15.187
tors. eta vs tors. theta energy: -28.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -327.674790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.674790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.674790 (E_RNA)
where:
Base-Base interactions energy: -219.211
where: short stacking energy: -102.988
Base-Backbone interact. energy: -0.228
local terms energy: -108.235776
where:
bonds (distance) C4'-P energy: -20.929
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -23.800
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -31.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -305.504440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.504440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.504440 (E_RNA)
where:
Base-Base interactions energy: -216.741
where: short stacking energy: -82.678
Base-Backbone interact. energy: -0.244
local terms energy: -88.519710
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -21.799
flat angles P-C4'-P energy: -15.517
tors. eta vs tors. theta energy: -18.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -311.082170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.082170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.082170 (E_RNA)
where:
Base-Base interactions energy: -208.734
where: short stacking energy: -82.306
Base-Backbone interact. energy: -0.696
local terms energy: -101.651550
where:
bonds (distance) C4'-P energy: -20.038
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -17.334
tors. eta vs tors. theta energy: -24.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -216.151377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.151377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.151377 (E_RNA)
where:
Base-Base interactions energy: -137.484
where: short stacking energy: -62.385
Base-Backbone interact. energy: -0.092
local terms energy: -78.575966
where:
bonds (distance) C4'-P energy: -21.723
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -20.216
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -9.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -256.345024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.345024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.345024 (E_RNA)
where:
Base-Base interactions energy: -181.918
where: short stacking energy: -68.843
Base-Backbone interact. energy: 0.087
local terms energy: -74.514398
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: -15.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -122.361306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.361306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.361306 (E_RNA)
where:
Base-Base interactions energy: -50.069
where: short stacking energy: -47.087
Base-Backbone interact. energy: -0.180
local terms energy: -72.112615
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -7.281
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: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -111.336782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.336782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.336782 (E_RNA)
where:
Base-Base interactions energy: -49.205
where: short stacking energy: -35.246
Base-Backbone interact. energy: -0.178
local terms energy: -61.953495
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -3.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -114.929001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.929001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.929001 (E_RNA)
where:
Base-Base interactions energy: -49.211
where: short stacking energy: -40.480
Base-Backbone interact. energy: -0.101
local terms energy: -65.616329
where:
bonds (distance) C4'-P energy: -20.530
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -4.234
tors. eta vs tors. theta energy: -4.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -101.899678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.899678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.899678 (E_RNA)
where:
Base-Base interactions energy: -49.773
where: short stacking energy: -36.634
Base-Backbone interact. energy: -0.171
local terms energy: -51.955436
where:
bonds (distance) C4'-P energy: -6.702
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -20.466
flat angles P-C4'-P energy: -8.280
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: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -340.968437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.968437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.968437 (E_RNA)
where:
Base-Base interactions energy: -226.043
where: short stacking energy: -101.657
Base-Backbone interact. energy: -0.826
local terms energy: -114.099992
where:
bonds (distance) C4'-P energy: -21.947
bonds (distance) P-C4' energy: -22.692
flat angles C4'-P-C4' energy: -23.277
flat angles P-C4'-P energy: -17.500
tors. eta vs tors. theta energy: -28.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -328.443682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.443682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.443682 (E_RNA)
where:
Base-Base interactions energy: -222.172
where: short stacking energy: -97.993
Base-Backbone interact. energy: -1.229
local terms energy: -105.043039
where:
bonds (distance) C4'-P energy: -20.663
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -23.316
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -27.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -317.641457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.641457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.641457 (E_RNA)
where:
Base-Base interactions energy: -220.991
where: short stacking energy: -95.715
Base-Backbone interact. energy: -1.065
local terms energy: -95.585412
where:
bonds (distance) C4'-P energy: -21.524
bonds (distance) P-C4' energy: -18.666
flat angles C4'-P-C4' energy: -20.351
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -22.820
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: 7
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -318.258867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.258867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.258867 (E_RNA)
where:
Base-Base interactions energy: -219.327
where: short stacking energy: -85.754
Base-Backbone interact. energy: -0.787
local terms energy: -98.145305
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -18.522
flat angles C4'-P-C4' energy: -19.731
flat angles P-C4'-P energy: -17.116
tors. eta vs tors. theta energy: -24.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -220.703727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.703727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.703727 (E_RNA)
where:
Base-Base interactions energy: -138.124
where: short stacking energy: -76.501
Base-Backbone interact. energy: 0.282
local terms energy: -82.862099
where:
bonds (distance) C4'-P energy: -17.761
bonds (distance) P-C4' energy: -19.501
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -5.743
tors. eta vs tors. theta energy: -23.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -261.894089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.894089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.894089 (E_RNA)
where:
Base-Base interactions energy: -175.646
where: short stacking energy: -64.156
Base-Backbone interact. energy: -0.325
local terms energy: -85.922424
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -22.145
flat angles P-C4'-P energy: -15.047
tors. eta vs tors. theta energy: -14.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -118.865366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.865366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.865366 (E_RNA)
where:
Base-Base interactions energy: -45.374
where: short stacking energy: -35.737
Base-Backbone interact. energy: 0.438
local terms energy: -73.929497
where:
bonds (distance) C4'-P energy: -18.899
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -15.850
tors. eta vs tors. theta energy: -0.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -119.699604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.699604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.699604 (E_RNA)
where:
Base-Base interactions energy: -44.103
where: short stacking energy: -43.826
Base-Backbone interact. energy: -0.653
local terms energy: -74.942877
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -10.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -101.268298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.268298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.268298 (E_RNA)
where:
Base-Base interactions energy: -39.781
where: short stacking energy: -32.461
Base-Backbone interact. energy: -0.294
local terms energy: -61.192906
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: 2.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -104.083739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.083739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.083739 (E_RNA)
where:
Base-Base interactions energy: -46.579
where: short stacking energy: -29.154
Base-Backbone interact. energy: 0.657
local terms energy: -58.161201
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: 0.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -329.272663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.272663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.272663 (E_RNA)
where:
Base-Base interactions energy: -224.454
where: short stacking energy: -97.850
Base-Backbone interact. energy: -0.220
local terms energy: -104.598958
where:
bonds (distance) C4'-P energy: -21.469
bonds (distance) P-C4' energy: -18.661
flat angles C4'-P-C4' energy: -20.855
flat angles P-C4'-P energy: -14.489
tors. eta vs tors. theta energy: -29.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -323.934171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.934171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.934171 (E_RNA)
where:
Base-Base interactions energy: -213.452
where: short stacking energy: -97.375
Base-Backbone interact. energy: -0.101
local terms energy: -110.381287
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -21.618
flat angles P-C4'-P energy: -16.208
tors. eta vs tors. theta energy: -28.668
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: 7
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -321.748267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.748267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.748267 (E_RNA)
where:
Base-Base interactions energy: -224.769
where: short stacking energy: -89.078
Base-Backbone interact. energy: -0.826
local terms energy: -96.154115
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -23.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -317.647917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.647917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.647917 (E_RNA)
where:
Base-Base interactions energy: -213.606
where: short stacking energy: -92.280
Base-Backbone interact. energy: -0.248
local terms energy: -103.794272
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -23.656
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -17.920
tors. eta vs tors. theta energy: -24.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -272.360342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.360342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.360342 (E_RNA)
where:
Base-Base interactions energy: -181.034
where: short stacking energy: -75.600
Base-Backbone interact. energy: -0.390
local terms energy: -90.936150
where:
bonds (distance) C4'-P energy: -20.009
bonds (distance) P-C4' energy: -20.769
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -17.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -191.288762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.288762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.288762 (E_RNA)
where:
Base-Base interactions energy: -115.897
where: short stacking energy: -53.172
Base-Backbone interact. energy: -0.800
local terms energy: -74.591693
where:
bonds (distance) C4'-P energy: -18.444
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -19.954
flat angles P-C4'-P energy: -5.184
tors. eta vs tors. theta energy: -11.922
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: 450
Temperature: 1.200000
Total energy: -118.679972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.679972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.679972 (E_RNA)
where:
Base-Base interactions energy: -35.953
where: short stacking energy: -30.289
Base-Backbone interact. energy: -0.303
local terms energy: -82.423214
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -9.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -109.803385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.803385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.803385 (E_RNA)
where:
Base-Base interactions energy: -41.237
where: short stacking energy: -41.237
Base-Backbone interact. energy: -0.217
local terms energy: -68.350042
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -13.979
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: 9, replica: 3
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -108.162367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.162367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.162367 (E_RNA)
where:
Base-Base interactions energy: -52.997
where: short stacking energy: -40.701
Base-Backbone interact. energy: 0.122
local terms energy: -55.287809
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -11.279
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: 10, replica: 1
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -101.915034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.915034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.915034 (E_RNA)
where:
Base-Base interactions energy: -27.824
where: short stacking energy: -27.824
Base-Backbone interact. energy: -0.264
local terms energy: -73.827002
where:
bonds (distance) C4'-P energy: -19.226
bonds (distance) P-C4' energy: -24.624
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -1.244
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: 5
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -331.059990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.059990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.059990 (E_RNA)
where:
Base-Base interactions energy: -228.988
where: short stacking energy: -102.906
Base-Backbone interact. energy: 1.030
local terms energy: -103.102134
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -22.006
flat angles C4'-P-C4' energy: -21.963
flat angles P-C4'-P energy: -14.240
tors. eta vs tors. theta energy: -30.084
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: 7
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -327.875210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.875210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.875210 (E_RNA)
where:
Base-Base interactions energy: -222.988
where: short stacking energy: -98.745
Base-Backbone interact. energy: -0.175
local terms energy: -104.712534
where:
bonds (distance) C4'-P energy: -20.561
bonds (distance) P-C4' energy: -24.051
flat angles C4'-P-C4' energy: -20.796
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -28.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -316.948335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.948335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.948335 (E_RNA)
where:
Base-Base interactions energy: -215.266
where: short stacking energy: -84.975
Base-Backbone interact. energy: -0.125
local terms energy: -101.557176
where:
bonds (distance) C4'-P energy: -19.723
bonds (distance) P-C4' energy: -23.737
flat angles C4'-P-C4' energy: -20.393
flat angles P-C4'-P energy: -12.995
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: 4, replica: 9
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -305.324455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.324455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.324455 (E_RNA)
where:
Base-Base interactions energy: -204.414
where: short stacking energy: -83.987
Base-Backbone interact. energy: 0.120
local terms energy: -101.031170
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -21.500
flat angles P-C4'-P energy: -15.594
tors. eta vs tors. theta energy: -25.259
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: 5, replica: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -263.961712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.961712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.961712 (E_RNA)
where:
Base-Base interactions energy: -190.359
where: short stacking energy: -71.508
Base-Backbone interact. energy: -0.188
local terms energy: -73.414131
where:
bonds (distance) C4'-P energy: -18.371
bonds (distance) P-C4' energy: -18.727
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -3.673
tors. eta vs tors. theta energy: -19.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -207.307130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.307130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.307130 (E_RNA)
where:
Base-Base interactions energy: -124.642
where: short stacking energy: -73.214
Base-Backbone interact. energy: 0.434
local terms energy: -83.099211
where:
bonds (distance) C4'-P energy: -20.394
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -119.028369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.028369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.028369 (E_RNA)
where:
Base-Base interactions energy: -46.873
where: short stacking energy: -36.673
Base-Backbone interact. energy: -0.083
local terms energy: -72.072399
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -23.867
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -10.175
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: 8, replica: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -137.650438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.650438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.650438 (E_RNA)
where:
Base-Base interactions energy: -68.433
where: short stacking energy: -33.267
Base-Backbone interact. energy: -0.319
local terms energy: -68.897655
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -10.080
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -10.129
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: 10
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -110.588901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.588901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.588901 (E_RNA)
where:
Base-Base interactions energy: -53.983
where: short stacking energy: -36.286
Base-Backbone interact. energy: 1.907
local terms energy: -58.512347
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -7.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -107.219861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.219861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.219861 (E_RNA)
where:
Base-Base interactions energy: -36.221
where: short stacking energy: -27.326
Base-Backbone interact. energy: 0.696
local terms energy: -71.695086
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -332.484817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.484817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.484817 (E_RNA)
where:
Base-Base interactions energy: -226.471
where: short stacking energy: -107.911
Base-Backbone interact. energy: -0.684
local terms energy: -105.330010
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -23.788
flat angles P-C4'-P energy: -16.517
tors. eta vs tors. theta energy: -26.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -330.602873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.602873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.602873 (E_RNA)
where:
Base-Base interactions energy: -225.372
where: short stacking energy: -101.406
Base-Backbone interact. energy: -0.128
local terms energy: -105.102655
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -21.481
flat angles P-C4'-P energy: -16.317
tors. eta vs tors. theta energy: -29.435
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: 9
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -312.340635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.340635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.340635 (E_RNA)
where:
Base-Base interactions energy: -212.453
where: short stacking energy: -90.395
Base-Backbone interact. energy: -0.377
local terms energy: -99.511356
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -21.237
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -17.275
tors. eta vs tors. theta energy: -25.627
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: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -310.483303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.483303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.483303 (E_RNA)
where:
Base-Base interactions energy: -214.725
where: short stacking energy: -90.588
Base-Backbone interact. energy: -1.430
local terms energy: -94.328846
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -27.817
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: 5, replica: 6
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -270.401038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.401038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.401038 (E_RNA)
where:
Base-Base interactions energy: -172.762
where: short stacking energy: -69.774
Base-Backbone interact. energy: 0.273
local terms energy: -97.912089
where:
bonds (distance) C4'-P energy: -21.102
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -22.625
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -17.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -198.557251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.557251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.557251 (E_RNA)
where:
Base-Base interactions energy: -122.341
where: short stacking energy: -44.796
Base-Backbone interact. energy: -1.972
local terms energy: -74.243706
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -19.613
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -9.899
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: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -131.200605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.200605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.200605 (E_RNA)
where:
Base-Base interactions energy: -66.133
where: short stacking energy: -48.130
Base-Backbone interact. energy: -0.636
local terms energy: -64.431423
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -20.965
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -5.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -130.496801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.496801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.496801 (E_RNA)
where:
Base-Base interactions energy: -60.540
where: short stacking energy: -50.793
Base-Backbone interact. energy: -0.916
local terms energy: -69.041254
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -101.124383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.124383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.124383 (E_RNA)
where:
Base-Base interactions energy: -44.731
where: short stacking energy: -27.512
Base-Backbone interact. energy: 0.035
local terms energy: -56.429123
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -14.996
flat angles C4'-P-C4' energy: -21.785
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: 4.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -102.389386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.389386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.389386 (E_RNA)
where:
Base-Base interactions energy: -46.450
where: short stacking energy: -36.438
Base-Backbone interact. energy: -0.814
local terms energy: -55.125494
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: 1.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -338.539360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.539360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.539360 (E_RNA)
where:
Base-Base interactions energy: -232.073
where: short stacking energy: -100.975
Base-Backbone interact. energy: -0.165
local terms energy: -106.300999
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -20.868
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -17.395
tors. eta vs tors. theta energy: -29.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -329.227251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.227251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.227251 (E_RNA)
where:
Base-Base interactions energy: -220.602
where: short stacking energy: -96.860
Base-Backbone interact. energy: -0.788
local terms energy: -107.837670
where:
bonds (distance) C4'-P energy: -20.939
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -20.516
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -29.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -314.438456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.438456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.438456 (E_RNA)
where:
Base-Base interactions energy: -208.143
where: short stacking energy: -92.297
Base-Backbone interact. energy: -0.386
local terms energy: -105.909222
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -22.868
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -28.610
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: 4, replica: 2
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -310.054753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.054753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.054753 (E_RNA)
where:
Base-Base interactions energy: -218.222
where: short stacking energy: -95.402
Base-Backbone interact. energy: -0.192
local terms energy: -91.640872
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -21.071
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -25.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -241.837590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.837590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.837590 (E_RNA)
where:
Base-Base interactions energy: -151.521
where: short stacking energy: -67.028
Base-Backbone interact. energy: -0.718
local terms energy: -89.598331
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -19.118
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -20.982
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: 4
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -212.568612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.568612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.568612 (E_RNA)
where:
Base-Base interactions energy: -131.080
where: short stacking energy: -58.713
Base-Backbone interact. energy: -0.804
local terms energy: -80.685099
where:
bonds (distance) C4'-P energy: -21.860
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -13.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -114.269181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.269181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.269181 (E_RNA)
where:
Base-Base interactions energy: -56.295
where: short stacking energy: -47.114
Base-Backbone interact. energy: -0.564
local terms energy: -57.409934
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -0.457
tors. eta vs tors. theta energy: -5.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -110.677531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.677531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.677531 (E_RNA)
where:
Base-Base interactions energy: -43.647
where: short stacking energy: -32.923
Base-Backbone interact. energy: -0.419
local terms energy: -66.611769
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -21.755
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: 1.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -108.300009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.300009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.300009 (E_RNA)
where:
Base-Base interactions energy: -40.340
where: short stacking energy: -40.820
Base-Backbone interact. energy: -0.213
local terms energy: -67.746992
where:
bonds (distance) C4'-P energy: -20.911
bonds (distance) P-C4' energy: -16.729
flat angles C4'-P-C4' energy: -9.568
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -9.774
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: 1
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -103.918282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.918282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.918282 (E_RNA)
where:
Base-Base interactions energy: -43.554
where: short stacking energy: -32.478
Base-Backbone interact. energy: 0.419
local terms energy: -60.782468
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -21.134
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -0.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -336.001973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.001973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.001973 (E_RNA)
where:
Base-Base interactions energy: -224.371
where: short stacking energy: -101.844
Base-Backbone interact. energy: -0.515
local terms energy: -111.115907
where:
bonds (distance) C4'-P energy: -20.609
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -25.897
flat angles P-C4'-P energy: -15.788
tors. eta vs tors. theta energy: -26.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -320.679162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.679162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.679162 (E_RNA)
where:
Base-Base interactions energy: -214.361
where: short stacking energy: -90.586
Base-Backbone interact. energy: -1.241
local terms energy: -105.077294
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -23.649
flat angles P-C4'-P energy: -15.178
tors. eta vs tors. theta energy: -27.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -323.882925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.882925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.882925 (E_RNA)
where:
Base-Base interactions energy: -221.945
where: short stacking energy: -100.104
Base-Backbone interact. energy: -0.325
local terms energy: -101.612249
where:
bonds (distance) C4'-P energy: -21.337
bonds (distance) P-C4' energy: -21.420
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -27.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -308.888981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.888981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.888981 (E_RNA)
where:
Base-Base interactions energy: -209.820
where: short stacking energy: -91.165
Base-Backbone interact. energy: -0.651
local terms energy: -98.418162
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -21.747
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -14.708
tors. eta vs tors. theta energy: -25.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -250.663157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.663157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.663157 (E_RNA)
where:
Base-Base interactions energy: -160.415
where: short stacking energy: -75.959
Base-Backbone interact. energy: -0.034
local terms energy: -90.214143
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -18.377
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -20.924
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: 454
Temperature: 1.150000
Total energy: -203.915589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.915589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.915589 (E_RNA)
where:
Base-Base interactions energy: -118.049
where: short stacking energy: -61.062
Base-Backbone interact. energy: 0.931
local terms energy: -86.797627
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -16.930
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: 7, replica: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -109.962765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.962765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.962765 (E_RNA)
where:
Base-Base interactions energy: -39.096
where: short stacking energy: -25.921
Base-Backbone interact. energy: -0.348
local terms energy: -70.518224
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -21.625
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: 0.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -114.752345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.752345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.752345 (E_RNA)
where:
Base-Base interactions energy: -42.762
where: short stacking energy: -42.762
Base-Backbone interact. energy: -0.156
local terms energy: -71.834354
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -21.676
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -7.921
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: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -110.975326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.975326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.975326 (E_RNA)
where:
Base-Base interactions energy: -28.917
where: short stacking energy: -27.052
Base-Backbone interact. energy: -0.328
local terms energy: -81.729812
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -22.007
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -6.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -100.221439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.221439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.221439 (E_RNA)
where:
Base-Base interactions energy: -33.317
where: short stacking energy: -33.317
Base-Backbone interact. energy: -0.018
local terms energy: -66.886371
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -329.325303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.325303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.325303 (E_RNA)
where:
Base-Base interactions energy: -229.772
where: short stacking energy: -104.895
Base-Backbone interact. energy: 1.694
local terms energy: -101.247071
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -21.201
flat angles P-C4'-P energy: -17.919
tors. eta vs tors. theta energy: -29.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -322.327904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.327904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.327904 (E_RNA)
where:
Base-Base interactions energy: -216.657
where: short stacking energy: -94.770
Base-Backbone interact. energy: -0.208
local terms energy: -105.463838
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -20.453
flat angles C4'-P-C4' energy: -25.360
flat angles P-C4'-P energy: -19.014
tors. eta vs tors. theta energy: -21.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -324.827580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.827580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.827580 (E_RNA)
where:
Base-Base interactions energy: -227.933
where: short stacking energy: -91.265
Base-Backbone interact. energy: 3.562
local terms energy: -100.457015
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -22.021
flat angles C4'-P-C4' energy: -23.547
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -23.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -317.418835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.418835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.418835 (E_RNA)
where:
Base-Base interactions energy: -215.912
where: short stacking energy: -90.531
Base-Backbone interact. energy: -0.319
local terms energy: -101.187821
where:
bonds (distance) C4'-P energy: -17.371
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -24.998
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -21.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -250.155124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.155124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.155124 (E_RNA)
where:
Base-Base interactions energy: -163.584
where: short stacking energy: -76.889
Base-Backbone interact. energy: -0.062
local terms energy: -86.509068
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -20.305
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -17.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -193.934485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.934485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.934485 (E_RNA)
where:
Base-Base interactions energy: -111.439
where: short stacking energy: -79.464
Base-Backbone interact. energy: -0.448
local terms energy: -82.047313
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -19.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -147.192223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.192223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.192223 (E_RNA)
where:
Base-Base interactions energy: -84.092
where: short stacking energy: -41.738
Base-Backbone interact. energy: -0.414
local terms energy: -62.685983
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -4.999
tors. eta vs tors. theta energy: -2.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -116.561807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.561807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.561807 (E_RNA)
where:
Base-Base interactions energy: -42.957
where: short stacking energy: -38.442
Base-Backbone interact. energy: 0.966
local terms energy: -74.570217
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -10.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -111.937004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.937004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.937004 (E_RNA)
where:
Base-Base interactions energy: -39.051
where: short stacking energy: -39.576
Base-Backbone interact. energy: -0.119
local terms energy: -72.766519
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -21.791
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -9.191
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: 1
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -128.729149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.729149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.729149 (E_RNA)
where:
Base-Base interactions energy: -47.750
where: short stacking energy: -44.892
Base-Backbone interact. energy: 0.496
local terms energy: -81.475162
where:
bonds (distance) C4'-P energy: -20.479
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -12.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -325.391660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.391660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.391660 (E_RNA)
where:
Base-Base interactions energy: -219.030
where: short stacking energy: -95.265
Base-Backbone interact. energy: -0.037
local terms energy: -106.325479
where:
bonds (distance) C4'-P energy: -18.210
bonds (distance) P-C4' energy: -22.820
flat angles C4'-P-C4' energy: -24.917
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -25.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -325.577527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.577527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.577527 (E_RNA)
where:
Base-Base interactions energy: -220.637
where: short stacking energy: -101.119
Base-Backbone interact. energy: -0.047
local terms energy: -104.892870
where:
bonds (distance) C4'-P energy: -17.806
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -21.461
flat angles P-C4'-P energy: -16.067
tors. eta vs tors. theta energy: -27.431
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: 5
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -319.303791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.303791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.303791 (E_RNA)
where:
Base-Base interactions energy: -214.824
where: short stacking energy: -90.051
Base-Backbone interact. energy: -0.560
local terms energy: -103.919648
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -22.202
flat angles C4'-P-C4' energy: -20.070
flat angles P-C4'-P energy: -17.481
tors. eta vs tors. theta energy: -25.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -308.501788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.501788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.501788 (E_RNA)
where:
Base-Base interactions energy: -211.459
where: short stacking energy: -93.277
Base-Backbone interact. energy: -0.019
local terms energy: -97.023785
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -21.142
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -28.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -246.194396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.194396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.194396 (E_RNA)
where:
Base-Base interactions energy: -157.773
where: short stacking energy: -69.427
Base-Backbone interact. energy: -0.172
local terms energy: -88.249231
where:
bonds (distance) C4'-P energy: -20.625
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -24.721
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -14.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -187.399267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.399267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.399267 (E_RNA)
where:
Base-Base interactions energy: -105.300
where: short stacking energy: -53.168
Base-Backbone interact. energy: -0.041
local terms energy: -82.058307
where:
bonds (distance) C4'-P energy: -22.386
bonds (distance) P-C4' energy: -18.194
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -13.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -180.548455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.548455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.548455 (E_RNA)
where:
Base-Base interactions energy: -98.606
where: short stacking energy: -53.677
Base-Backbone interact. energy: 1.715
local terms energy: -83.657619
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -21.187
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -13.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -117.600638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.600638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.600638 (E_RNA)
where:
Base-Base interactions energy: -54.098
where: short stacking energy: -42.287
Base-Backbone interact. energy: -0.142
local terms energy: -63.361058
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -20.646
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -4.367
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: 9, replica: 1
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -102.665478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.665478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.665478 (E_RNA)
where:
Base-Base interactions energy: -37.941
where: short stacking energy: -35.896
Base-Backbone interact. energy: 0.031
local terms energy: -64.754963
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -22.946
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -6.153
tors. eta vs tors. theta energy: -6.823
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: 8
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -111.174193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.174193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.174193 (E_RNA)
where:
Base-Base interactions energy: -41.032
where: short stacking energy: -39.938
Base-Backbone interact. energy: -0.093
local terms energy: -70.049408
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -19.666
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -7.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -318.864961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.864961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.864961 (E_RNA)
where:
Base-Base interactions energy: -212.640
where: short stacking energy: -93.510
Base-Backbone interact. energy: -0.200
local terms energy: -106.024726
where:
bonds (distance) C4'-P energy: -20.663
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -23.504
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -25.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -321.163354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.163354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.163354 (E_RNA)
where:
Base-Base interactions energy: -224.289
where: short stacking energy: -89.266
Base-Backbone interact. energy: -0.101
local terms energy: -96.773283
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -22.056
flat angles P-C4'-P energy: -15.078
tors. eta vs tors. theta energy: -22.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -315.893443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.893443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.893443 (E_RNA)
where:
Base-Base interactions energy: -211.748
where: short stacking energy: -94.445
Base-Backbone interact. energy: -0.694
local terms energy: -103.451715
where:
bonds (distance) C4'-P energy: -22.676
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -29.733
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: 9
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -316.704394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.704394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.704394 (E_RNA)
where:
Base-Base interactions energy: -215.303
where: short stacking energy: -83.051
Base-Backbone interact. energy: -0.219
local terms energy: -101.182286
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -22.046
flat angles P-C4'-P energy: -15.969
tors. eta vs tors. theta energy: -25.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -249.863873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.863873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.863873 (E_RNA)
where:
Base-Base interactions energy: -167.837
where: short stacking energy: -80.755
Base-Backbone interact. energy: -0.750
local terms energy: -81.276371
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -20.181
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -24.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -183.572380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.572380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.572380 (E_RNA)
where:
Base-Base interactions energy: -99.284
where: short stacking energy: -57.771
Base-Backbone interact. energy: 0.881
local terms energy: -85.169450
where:
bonds (distance) C4'-P energy: -23.489
bonds (distance) P-C4' energy: -21.424
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -13.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -205.382838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.382838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.382838 (E_RNA)
where:
Base-Base interactions energy: -129.199
where: short stacking energy: -59.558
Base-Backbone interact. energy: -1.306
local terms energy: -74.876958
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -7.762
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: 8, replica: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -116.241984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.241984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.241984 (E_RNA)
where:
Base-Base interactions energy: -49.850
where: short stacking energy: -39.943
Base-Backbone interact. energy: -0.041
local terms energy: -66.350484
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -20.704
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -99.879868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.879868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.879868 (E_RNA)
where:
Base-Base interactions energy: -52.268
where: short stacking energy: -40.035
Base-Backbone interact. energy: -0.159
local terms energy: -47.452536
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -1.004
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: 10, replica: 8
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -93.473593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.473593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.473593 (E_RNA)
where:
Base-Base interactions energy: -39.068
where: short stacking energy: -29.832
Base-Backbone interact. energy: 1.078
local terms energy: -55.482794
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -17.134
flat angles C4'-P-C4' energy: -9.795
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -334.009949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.009949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.009949 (E_RNA)
where:
Base-Base interactions energy: -231.106
where: short stacking energy: -100.436
Base-Backbone interact. energy: -0.201
local terms energy: -102.702566
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -22.127
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -28.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -326.958329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.958329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.958329 (E_RNA)
where:
Base-Base interactions energy: -220.569
where: short stacking energy: -100.115
Base-Backbone interact. energy: -0.139
local terms energy: -106.250704
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -24.861
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -14.161
tors. eta vs tors. theta energy: -27.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -320.503058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.503058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.503058 (E_RNA)
where:
Base-Base interactions energy: -220.393
where: short stacking energy: -89.920
Base-Backbone interact. energy: -0.234
local terms energy: -99.875915
where:
bonds (distance) C4'-P energy: -21.338
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -22.752
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: 7
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -319.759456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.759456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.759456 (E_RNA)
where:
Base-Base interactions energy: -216.588
where: short stacking energy: -87.420
Base-Backbone interact. energy: 0.082
local terms energy: -103.253812
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -22.088
flat angles C4'-P-C4' energy: -22.037
flat angles P-C4'-P energy: -15.706
tors. eta vs tors. theta energy: -24.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -259.903547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.903547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.903547 (E_RNA)
where:
Base-Base interactions energy: -170.133
where: short stacking energy: -84.623
Base-Backbone interact. energy: 1.023
local terms energy: -90.793760
where:
bonds (distance) C4'-P energy: -19.699
bonds (distance) P-C4' energy: -20.105
flat angles C4'-P-C4' energy: -22.330
flat angles P-C4'-P energy: -14.075
tors. eta vs tors. theta energy: -14.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -217.558474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.558474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.558474 (E_RNA)
where:
Base-Base interactions energy: -145.266
where: short stacking energy: -53.599
Base-Backbone interact. energy: -1.272
local terms energy: -71.019948
where:
bonds (distance) C4'-P energy: -21.510
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -10.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -216.012015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.012015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.012015 (E_RNA)
where:
Base-Base interactions energy: -131.865
where: short stacking energy: -68.370
Base-Backbone interact. energy: -0.049
local terms energy: -84.097455
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -19.423
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -15.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -122.649047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.649047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.649047 (E_RNA)
where:
Base-Base interactions energy: -61.087
where: short stacking energy: -26.786
Base-Backbone interact. energy: 3.402
local terms energy: -64.964281
where:
bonds (distance) C4'-P energy: -18.467
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -8.601
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -3.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -103.923341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.923341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.923341 (E_RNA)
where:
Base-Base interactions energy: -38.740
where: short stacking energy: -36.706
Base-Backbone interact. energy: -0.218
local terms energy: -64.965617
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -19.993
flat angles C4'-P-C4' energy: -20.077
flat angles P-C4'-P energy: -3.388
tors. eta vs tors. theta energy: -2.907
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: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -96.159300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.159300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.159300 (E_RNA)
where:
Base-Base interactions energy: -29.566
where: short stacking energy: -25.330
Base-Backbone interact. energy: -0.150
local terms energy: -66.443339
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -2.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -334.216042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.216042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.216042 (E_RNA)
where:
Base-Base interactions energy: -231.073
where: short stacking energy: -98.622
Base-Backbone interact. energy: -0.671
local terms energy: -102.472463
where:
bonds (distance) C4'-P energy: -19.855
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -19.617
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -29.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -326.992401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.992401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.992401 (E_RNA)
where:
Base-Base interactions energy: -224.293
where: short stacking energy: -95.383
Base-Backbone interact. energy: -0.705
local terms energy: -101.994716
where:
bonds (distance) C4'-P energy: -20.299
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -20.835
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -28.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -320.164287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.164287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.164287 (E_RNA)
where:
Base-Base interactions energy: -218.938
where: short stacking energy: -95.217
Base-Backbone interact. energy: -0.106
local terms energy: -101.119864
where:
bonds (distance) C4'-P energy: -21.068
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -16.330
tors. eta vs tors. theta energy: -27.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -258.319522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.319522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.319522 (E_RNA)
where:
Base-Base interactions energy: -174.025
where: short stacking energy: -79.815
Base-Backbone interact. energy: -0.301
local terms energy: -83.993554
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: -13.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -309.414312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.414312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.414312 (E_RNA)
where:
Base-Base interactions energy: -209.549
where: short stacking energy: -86.382
Base-Backbone interact. energy: -0.274
local terms energy: -99.591402
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -20.526
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -27.273
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: 10
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -213.912750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.912750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.912750 (E_RNA)
where:
Base-Base interactions energy: -141.041
where: short stacking energy: -57.555
Base-Backbone interact. energy: -0.506
local terms energy: -72.365605
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -21.395
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -11.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -170.207504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.207504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.207504 (E_RNA)
where:
Base-Base interactions energy: -94.327
where: short stacking energy: -54.007
Base-Backbone interact. energy: -0.096
local terms energy: -75.783569
where:
bonds (distance) C4'-P energy: -19.547
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -10.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -114.547078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.547078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.547078 (E_RNA)
where:
Base-Base interactions energy: -46.031
where: short stacking energy: -46.031
Base-Backbone interact. energy: -0.404
local terms energy: -68.111358
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -20.009
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -2.895
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: 1
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -119.279341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.279341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.279341 (E_RNA)
where:
Base-Base interactions energy: -44.711
where: short stacking energy: -34.964
Base-Backbone interact. energy: -0.575
local terms energy: -73.993262
where:
bonds (distance) C4'-P energy: -19.494
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -17.419
tors. eta vs tors. theta energy: -0.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -97.136478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.136478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.136478 (E_RNA)
where:
Base-Base interactions energy: -36.964
where: short stacking energy: -26.460
Base-Backbone interact. energy: -0.813
local terms energy: -59.359715
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -18.976
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -17.058
tors. eta vs tors. theta energy: 3.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -332.251568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.251568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.251568 (E_RNA)
where:
Base-Base interactions energy: -224.217
where: short stacking energy: -96.910
Base-Backbone interact. energy: 0.991
local terms energy: -109.025783
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -19.501
flat angles C4'-P-C4' energy: -20.686
flat angles P-C4'-P energy: -18.525
tors. eta vs tors. theta energy: -28.841
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: 5
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -324.038333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.038333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.038333 (E_RNA)
where:
Base-Base interactions energy: -218.837
where: short stacking energy: -101.141
Base-Backbone interact. energy: -1.071
local terms energy: -104.130591
where:
bonds (distance) C4'-P energy: -21.483
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -21.175
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -27.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -314.517167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.517167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.517167 (E_RNA)
where:
Base-Base interactions energy: -211.737
where: short stacking energy: -91.223
Base-Backbone interact. energy: -0.174
local terms energy: -102.606266
where:
bonds (distance) C4'-P energy: -21.168
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -21.576
flat angles P-C4'-P energy: -16.830
tors. eta vs tors. theta energy: -26.321
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: 6
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -272.426251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.426251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.426251 (E_RNA)
where:
Base-Base interactions energy: -186.707
where: short stacking energy: -76.703
Base-Backbone interact. energy: -0.682
local terms energy: -85.037537
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -18.409
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -16.821
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: 7
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -307.104849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.104849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.104849 (E_RNA)
where:
Base-Base interactions energy: -200.418
where: short stacking energy: -90.461
Base-Backbone interact. energy: -0.336
local terms energy: -106.350816
where:
bonds (distance) C4'-P energy: -19.430
bonds (distance) P-C4' energy: -22.786
flat angles C4'-P-C4' energy: -22.614
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -29.017
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: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -201.711738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.711738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.711738 (E_RNA)
where:
Base-Base interactions energy: -121.816
where: short stacking energy: -65.050
Base-Backbone interact. energy: -0.060
local terms energy: -79.834999
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -20.723
flat angles C4'-P-C4' energy: -20.669
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -13.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -141.373085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.373085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.373085 (E_RNA)
where:
Base-Base interactions energy: -72.846
where: short stacking energy: -45.529
Base-Backbone interact. energy: 0.266
local terms energy: -68.793128
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -8.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -158.299944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.299944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.299944 (E_RNA)
where:
Base-Base interactions energy: -90.168
where: short stacking energy: -46.934
Base-Backbone interact. energy: 0.414
local terms energy: -68.545752
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -8.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -99.753965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.753965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.753965 (E_RNA)
where:
Base-Base interactions energy: -38.745
where: short stacking energy: -37.778
Base-Backbone interact. energy: -0.083
local terms energy: -60.926549
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -104.473198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.473198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.473198 (E_RNA)
where:
Base-Base interactions energy: -45.442
where: short stacking energy: -30.120
Base-Backbone interact. energy: 1.680
local terms energy: -60.711290
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -20.098
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -332.222442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.222442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.222442 (E_RNA)
where:
Base-Base interactions energy: -222.484
where: short stacking energy: -99.229
Base-Backbone interact. energy: -0.981
local terms energy: -108.756908
where:
bonds (distance) C4'-P energy: -21.446
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -21.964
flat angles P-C4'-P energy: -16.440
tors. eta vs tors. theta energy: -25.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -325.493981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.493981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.493981 (E_RNA)
where:
Base-Base interactions energy: -229.811
where: short stacking energy: -107.919
Base-Backbone interact. energy: -0.102
local terms energy: -95.580960
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -18.681
flat angles C4'-P-C4' energy: -22.795
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -27.721
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: 2
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -320.125812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.125812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.125812 (E_RNA)
where:
Base-Base interactions energy: -217.955
where: short stacking energy: -97.007
Base-Backbone interact. energy: 0.509
local terms energy: -102.679975
where:
bonds (distance) C4'-P energy: -20.564
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -19.631
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -23.887
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: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -319.776998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.776998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.776998 (E_RNA)
where:
Base-Base interactions energy: -212.175
where: short stacking energy: -89.847
Base-Backbone interact. energy: -0.128
local terms energy: -107.473172
where:
bonds (distance) C4'-P energy: -21.813
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -19.834
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -28.003
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: 6
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -256.437553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.437553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.437553 (E_RNA)
where:
Base-Base interactions energy: -165.545
where: short stacking energy: -73.187
Base-Backbone interact. energy: -0.802
local terms energy: -90.090808
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -22.642
flat angles C4'-P-C4' energy: -22.483
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -15.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -203.098207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.098207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.098207 (E_RNA)
where:
Base-Base interactions energy: -114.577
where: short stacking energy: -67.682
Base-Backbone interact. energy: -0.562
local terms energy: -87.959456
where:
bonds (distance) C4'-P energy: -18.954
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -20.683
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -22.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -171.587620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.587620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.587620 (E_RNA)
where:
Base-Base interactions energy: -89.010
where: short stacking energy: -52.779
Base-Backbone interact. energy: -0.006
local terms energy: -82.572142
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -21.874
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -13.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -163.891942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.891942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.891942 (E_RNA)
where:
Base-Base interactions energy: -104.938
where: short stacking energy: -49.493
Base-Backbone interact. energy: -0.296
local terms energy: -58.657841
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -19.927
flat angles C4'-P-C4' energy: -9.660
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -4.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -122.821509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.821509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.821509 (E_RNA)
where:
Base-Base interactions energy: -55.581
where: short stacking energy: -34.584
Base-Backbone interact. energy: 0.911
local terms energy: -68.151331
where:
bonds (distance) C4'-P energy: -17.484
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -14.346
tors. eta vs tors. theta energy: -6.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -102.063372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.063372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.063372 (E_RNA)
where:
Base-Base interactions energy: -24.823
where: short stacking energy: -24.823
Base-Backbone interact. energy: -0.107
local terms energy: -77.133409
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -21.182
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -1.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -330.620323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.620323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.620323 (E_RNA)
where:
Base-Base interactions energy: -228.529
where: short stacking energy: -100.895
Base-Backbone interact. energy: -0.299
local terms energy: -101.792295
where:
bonds (distance) C4'-P energy: -18.413
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -20.738
flat angles P-C4'-P energy: -15.665
tors. eta vs tors. theta energy: -28.037
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: 9
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -333.967583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.967583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.967583 (E_RNA)
where:
Base-Base interactions energy: -223.880
where: short stacking energy: -93.356
Base-Backbone interact. energy: -0.745
local terms energy: -109.343032
where:
bonds (distance) C4'-P energy: -21.293
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -23.631
flat angles P-C4'-P energy: -18.762
tors. eta vs tors. theta energy: -28.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -314.038530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.038530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.038530 (E_RNA)
where:
Base-Base interactions energy: -208.068
where: short stacking energy: -86.216
Base-Backbone interact. energy: -0.189
local terms energy: -105.781078
where:
bonds (distance) C4'-P energy: -21.100
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -22.306
flat angles P-C4'-P energy: -17.488
tors. eta vs tors. theta energy: -25.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -293.058075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.058075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.058075 (E_RNA)
where:
Base-Base interactions energy: -199.116
where: short stacking energy: -88.597
Base-Backbone interact. energy: 1.315
local terms energy: -95.257148
where:
bonds (distance) C4'-P energy: -20.770
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -15.617
tors. eta vs tors. theta energy: -25.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -265.231377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.231377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.231377 (E_RNA)
where:
Base-Base interactions energy: -180.551
where: short stacking energy: -71.238
Base-Backbone interact. energy: -0.106
local terms energy: -84.574244
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -15.309
tors. eta vs tors. theta energy: -22.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -202.283864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.283864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.283864 (E_RNA)
where:
Base-Base interactions energy: -122.518
where: short stacking energy: -51.801
Base-Backbone interact. energy: -0.025
local terms energy: -79.740931
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -15.275
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: 8
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -162.135798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.135798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.135798 (E_RNA)
where:
Base-Base interactions energy: -86.425
where: short stacking energy: -47.518
Base-Backbone interact. energy: -0.159
local terms energy: -75.550978
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -5.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -169.461540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.461540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.461540 (E_RNA)
where:
Base-Base interactions energy: -101.521
where: short stacking energy: -52.478
Base-Backbone interact. energy: -0.312
local terms energy: -67.628367
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -20.617
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -4.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -111.726109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.726109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.726109 (E_RNA)
where:
Base-Base interactions energy: -38.552
where: short stacking energy: -38.552
Base-Backbone interact. energy: -0.179
local terms energy: -72.995220
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -19.376
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -8.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -93.422677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.422677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.422677 (E_RNA)
where:
Base-Base interactions energy: -41.902
where: short stacking energy: -30.859
Base-Backbone interact. energy: -0.333
local terms energy: -51.188335
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -0.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -327.882144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.882144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.882144 (E_RNA)
where:
Base-Base interactions energy: -221.129
where: short stacking energy: -93.274
Base-Backbone interact. energy: -0.076
local terms energy: -106.677025
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -21.123
flat angles P-C4'-P energy: -15.630
tors. eta vs tors. theta energy: -28.552
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: 7
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -329.153361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.153361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.153361 (E_RNA)
where:
Base-Base interactions energy: -222.796
where: short stacking energy: -98.319
Base-Backbone interact. energy: -0.417
local terms energy: -105.940883
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -19.916
flat angles P-C4'-P energy: -16.583
tors. eta vs tors. theta energy: -28.606
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: 3, replica: 9
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -321.589106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.589106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.589106 (E_RNA)
where:
Base-Base interactions energy: -215.935
where: short stacking energy: -96.251
Base-Backbone interact. energy: -0.202
local terms energy: -105.452065
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -23.936
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -28.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -313.632819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.632819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.632819 (E_RNA)
where:
Base-Base interactions energy: -213.652
where: short stacking energy: -90.149
Base-Backbone interact. energy: -0.025
local terms energy: -99.956418
where:
bonds (distance) C4'-P energy: -23.473
bonds (distance) P-C4' energy: -18.757
flat angles C4'-P-C4' energy: -22.086
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -21.077
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: 6
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -251.329680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.329680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.329680 (E_RNA)
where:
Base-Base interactions energy: -172.063
where: short stacking energy: -69.129
Base-Backbone interact. energy: -1.293
local terms energy: -77.973460
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -13.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -223.540449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.540449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.540449 (E_RNA)
where:
Base-Base interactions energy: -145.620
where: short stacking energy: -73.532
Base-Backbone interact. energy: -0.590
local terms energy: -77.330267
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -15.124
tors. eta vs tors. theta energy: -16.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -180.781605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.781605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.781605 (E_RNA)
where:
Base-Base interactions energy: -102.801
where: short stacking energy: -52.326
Base-Backbone interact. energy: -0.066
local terms energy: -77.914604
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -23.646
flat angles C4'-P-C4' energy: -20.766
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: -4.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -157.802407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.802407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.802407 (E_RNA)
where:
Base-Base interactions energy: -83.829
where: short stacking energy: -48.746
Base-Backbone interact. energy: -0.162
local terms energy: -73.811566
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -8.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -104.364910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.364910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.364910 (E_RNA)
where:
Base-Base interactions energy: -48.693
where: short stacking energy: -32.844
Base-Backbone interact. energy: -1.295
local terms energy: -54.376987
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -7.946
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: 10, replica: 3
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -99.517390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.517390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.517390 (E_RNA)
where:
Base-Base interactions energy: -37.609
where: short stacking energy: -37.127
Base-Backbone interact. energy: -0.155
local terms energy: -61.752983
where:
bonds (distance) C4'-P energy: -18.775
bonds (distance) P-C4' energy: -19.505
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -0.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -338.582195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.582195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.582195 (E_RNA)
where:
Base-Base interactions energy: -229.689
where: short stacking energy: -103.779
Base-Backbone interact. energy: -0.248
local terms energy: -108.645422
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -24.825
flat angles C4'-P-C4' energy: -22.967
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -28.805
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: 5
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -320.366525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.366525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.366525 (E_RNA)
where:
Base-Base interactions energy: -217.797
where: short stacking energy: -91.352
Base-Backbone interact. energy: 0.207
local terms energy: -102.775928
where:
bonds (distance) C4'-P energy: -21.535
bonds (distance) P-C4' energy: -20.878
flat angles C4'-P-C4' energy: -20.370
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -25.962
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: 9
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -314.747255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.747255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.747255 (E_RNA)
where:
Base-Base interactions energy: -214.413
where: short stacking energy: -92.017
Base-Backbone interact. energy: 0.711
local terms energy: -101.044889
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -21.902
flat angles C4'-P-C4' energy: -21.616
flat angles P-C4'-P energy: -17.604
tors. eta vs tors. theta energy: -24.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -312.691249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.691249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.691249 (E_RNA)
where:
Base-Base interactions energy: -206.461
where: short stacking energy: -92.136
Base-Backbone interact. energy: 0.299
local terms energy: -106.529336
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -23.384
flat angles C4'-P-C4' energy: -22.785
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -27.709
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: 10
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -238.848939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.848939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.848939 (E_RNA)
where:
Base-Base interactions energy: -158.956
where: short stacking energy: -71.717
Base-Backbone interact. energy: -0.084
local terms energy: -79.809109
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -11.590
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: 6, replica: 6
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -253.861463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.861463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.861463 (E_RNA)
where:
Base-Base interactions energy: -160.343
where: short stacking energy: -86.483
Base-Backbone interact. energy: -0.167
local terms energy: -93.351988
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -15.594
tors. eta vs tors. theta energy: -22.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -183.575498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.575498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.575498 (E_RNA)
where:
Base-Base interactions energy: -104.056
where: short stacking energy: -61.256
Base-Backbone interact. energy: -0.201
local terms energy: -79.317785
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -14.473
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: 4
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -125.903244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.903244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.903244 (E_RNA)
where:
Base-Base interactions energy: -65.495
where: short stacking energy: -38.242
Base-Backbone interact. energy: -0.646
local terms energy: -59.762276
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -16.137
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: 0.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -106.844176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.844176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.844176 (E_RNA)
where:
Base-Base interactions energy: -46.265
where: short stacking energy: -28.390
Base-Backbone interact. energy: 1.573
local terms energy: -62.152786
where:
bonds (distance) C4'-P energy: -19.065
bonds (distance) P-C4' energy: -23.541
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -11.905
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: 10, replica: 3
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -95.661523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.661523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.661523 (E_RNA)
where:
Base-Base interactions energy: -49.147
where: short stacking energy: -25.165
Base-Backbone interact. energy: 5.758
local terms energy: -52.273096
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: 3.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -327.898809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.898809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.898809 (E_RNA)
where:
Base-Base interactions energy: -230.497
where: short stacking energy: -96.122
Base-Backbone interact. energy: -0.292
local terms energy: -97.108842
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -20.922
flat angles C4'-P-C4' energy: -19.595
flat angles P-C4'-P energy: -15.802
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: 2, replica: 5
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -326.358994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.358994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.358994 (E_RNA)
where:
Base-Base interactions energy: -228.528
where: short stacking energy: -99.610
Base-Backbone interact. energy: -0.860
local terms energy: -96.971026
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -20.810
flat angles P-C4'-P energy: -16.150
tors. eta vs tors. theta energy: -29.989
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: 9
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -315.726075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.726075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.726075 (E_RNA)
where:
Base-Base interactions energy: -220.073
where: short stacking energy: -85.706
Base-Backbone interact. energy: -0.211
local terms energy: -95.442377
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -20.226
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -25.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -307.899144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.899144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.899144 (E_RNA)
where:
Base-Base interactions energy: -203.464
where: short stacking energy: -87.295
Base-Backbone interact. energy: -0.282
local terms energy: -104.153375
where:
bonds (distance) C4'-P energy: -20.083
bonds (distance) P-C4' energy: -19.698
flat angles C4'-P-C4' energy: -22.617
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: -26.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -231.177533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.177533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.177533 (E_RNA)
where:
Base-Base interactions energy: -152.362
where: short stacking energy: -62.483
Base-Backbone interact. energy: 1.307
local terms energy: -80.122452
where:
bonds (distance) C4'-P energy: -20.857
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -12.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -250.903604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.903604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.903604 (E_RNA)
where:
Base-Base interactions energy: -160.519
where: short stacking energy: -70.438
Base-Backbone interact. energy: -0.607
local terms energy: -89.777421
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -21.455
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -18.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -177.144428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.144428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.144428 (E_RNA)
where:
Base-Base interactions energy: -99.413
where: short stacking energy: -65.713
Base-Backbone interact. energy: -1.182
local terms energy: -76.550106
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -17.289
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -9.883
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: 465
Temperature: 1.250000
Total energy: -125.283612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.283612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.283612 (E_RNA)
where:
Base-Base interactions energy: -55.355
where: short stacking energy: -55.355
Base-Backbone interact. energy: -0.735
local terms energy: -69.193401
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -7.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -108.695079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.695079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.695079 (E_RNA)
where:
Base-Base interactions energy: -44.555
where: short stacking energy: -29.294
Base-Backbone interact. energy: -0.276
local terms energy: -63.864284
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -22.453
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: 1.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -109.452653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.452653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.452653 (E_RNA)
where:
Base-Base interactions energy: -50.737
where: short stacking energy: -50.716
Base-Backbone interact. energy: -0.205
local terms energy: -58.510767
where:
bonds (distance) C4'-P energy: -9.926
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -4.673
tors. eta vs tors. theta energy: -9.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -315.285368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.285368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.285368 (E_RNA)
where:
Base-Base interactions energy: -223.514
where: short stacking energy: -96.521
Base-Backbone interact. energy: -0.114
local terms energy: -91.657229
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -20.717
flat angles C4'-P-C4' energy: -23.234
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -24.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -320.821531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.821531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.821531 (E_RNA)
where:
Base-Base interactions energy: -217.322
where: short stacking energy: -94.607
Base-Backbone interact. energy: 2.794
local terms energy: -106.293237
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -21.882
flat angles C4'-P-C4' energy: -21.306
flat angles P-C4'-P energy: -18.221
tors. eta vs tors. theta energy: -27.178
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: 2
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -321.350673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.350673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.350673 (E_RNA)
where:
Base-Base interactions energy: -225.533
where: short stacking energy: -97.277
Base-Backbone interact. energy: -0.150
local terms energy: -95.667796
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -22.219
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -26.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -319.253176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.253176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.253176 (E_RNA)
where:
Base-Base interactions energy: -213.432
where: short stacking energy: -86.599
Base-Backbone interact. energy: -0.479
local terms energy: -105.342574
where:
bonds (distance) C4'-P energy: -23.436
bonds (distance) P-C4' energy: -19.448
flat angles C4'-P-C4' energy: -19.733
flat angles P-C4'-P energy: -16.858
tors. eta vs tors. theta energy: -25.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -244.365372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.365372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.365372 (E_RNA)
where:
Base-Base interactions energy: -158.714
where: short stacking energy: -73.635
Base-Backbone interact. energy: -0.139
local terms energy: -85.511524
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -22.405
flat angles C4'-P-C4' energy: -21.003
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -18.065
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: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -251.548283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.548283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.548283 (E_RNA)
where:
Base-Base interactions energy: -174.835
where: short stacking energy: -67.739
Base-Backbone interact. energy: -1.600
local terms energy: -75.113509
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -20.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -162.356606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.356606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.356606 (E_RNA)
where:
Base-Base interactions energy: -97.425
where: short stacking energy: -49.045
Base-Backbone interact. energy: -0.866
local terms energy: -64.065623
where:
bonds (distance) C4'-P energy: -19.621
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -3.190
tors. eta vs tors. theta energy: -9.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -104.186737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.186737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.186737 (E_RNA)
where:
Base-Base interactions energy: -46.207
where: short stacking energy: -34.139
Base-Backbone interact. energy: -0.439
local terms energy: -57.541016
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -18.972
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -9.242
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: 9, replica: 1
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -124.000659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.000659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.000659 (E_RNA)
where:
Base-Base interactions energy: -58.792
where: short stacking energy: -31.909
Base-Backbone interact. energy: -0.645
local terms energy: -64.563146
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -19.767
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -7.769
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: 3
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -103.745483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.745483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.745483 (E_RNA)
where:
Base-Base interactions energy: -45.153
where: short stacking energy: -34.554
Base-Backbone interact. energy: -0.189
local terms energy: -58.403529
where:
bonds (distance) C4'-P energy: -20.388
bonds (distance) P-C4' energy: -7.945
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -2.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -321.303715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.303715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.303715 (E_RNA)
where:
Base-Base interactions energy: -214.139
where: short stacking energy: -81.298
Base-Backbone interact. energy: -0.277
local terms energy: -106.888142
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -24.708
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -28.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -325.593248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.593248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.593248 (E_RNA)
where:
Base-Base interactions energy: -226.788
where: short stacking energy: -102.426
Base-Backbone interact. energy: -0.725
local terms energy: -98.080181
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -21.649
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -27.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -323.298763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.298763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.298763 (E_RNA)
where:
Base-Base interactions energy: -219.896
where: short stacking energy: -96.917
Base-Backbone interact. energy: -0.097
local terms energy: -103.305567
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -23.803
flat angles P-C4'-P energy: -15.357
tors. eta vs tors. theta energy: -25.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -293.836940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.836940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.836940 (E_RNA)
where:
Base-Base interactions energy: -201.250
where: short stacking energy: -83.262
Base-Backbone interact. energy: 0.246
local terms energy: -92.833502
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -20.716
flat angles C4'-P-C4' energy: -19.216
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -23.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -249.578269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.578269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.578269 (E_RNA)
where:
Base-Base interactions energy: -166.158
where: short stacking energy: -68.179
Base-Backbone interact. energy: -0.582
local terms energy: -82.838049
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -21.279
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -20.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -230.908283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.908283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.908283 (E_RNA)
where:
Base-Base interactions energy: -145.135
where: short stacking energy: -68.589
Base-Backbone interact. energy: 2.073
local terms energy: -87.846252
where:
bonds (distance) C4'-P energy: -20.145
bonds (distance) P-C4' energy: -21.698
flat angles C4'-P-C4' energy: -20.690
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -13.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -162.751095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.751095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.751095 (E_RNA)
where:
Base-Base interactions energy: -91.479
where: short stacking energy: -52.546
Base-Backbone interact. energy: -0.425
local terms energy: -70.846420
where:
bonds (distance) C4'-P energy: -17.820
bonds (distance) P-C4' energy: -21.459
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -5.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -113.805385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.805385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.805385 (E_RNA)
where:
Base-Base interactions energy: -38.054
where: short stacking energy: -24.050
Base-Backbone interact. energy: -0.259
local terms energy: -75.492366
where:
bonds (distance) C4'-P energy: -21.560
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -8.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -102.210048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.210048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.210048 (E_RNA)
where:
Base-Base interactions energy: -29.318
where: short stacking energy: -29.129
Base-Backbone interact. energy: -0.202
local terms energy: -72.690024
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -19.847
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -3.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -92.001981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.001981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.001981 (E_RNA)
where:
Base-Base interactions energy: -27.458
where: short stacking energy: -27.040
Base-Backbone interact. energy: -0.399
local terms energy: -64.144664
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -0.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -327.154456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.154456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.154456 (E_RNA)
where:
Base-Base interactions energy: -221.139
where: short stacking energy: -98.737
Base-Backbone interact. energy: -0.481
local terms energy: -105.534605
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -25.481
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -25.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -326.335872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.335872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.335872 (E_RNA)
where:
Base-Base interactions energy: -223.825
where: short stacking energy: -96.324
Base-Backbone interact. energy: -0.160
local terms energy: -102.351512
where:
bonds (distance) C4'-P energy: -20.973
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -21.810
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -26.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -322.642410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.642410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.642410 (E_RNA)
where:
Base-Base interactions energy: -223.450
where: short stacking energy: -97.618
Base-Backbone interact. energy: -0.035
local terms energy: -99.156845
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -17.233
flat angles C4'-P-C4' energy: -20.953
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -27.704
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: 4, replica: 9
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -293.240147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.240147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.240147 (E_RNA)
where:
Base-Base interactions energy: -198.081
where: short stacking energy: -82.425
Base-Backbone interact. energy: -0.320
local terms energy: -94.839010
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -17.980
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: 10
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -266.552294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.552294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.552294 (E_RNA)
where:
Base-Base interactions energy: -184.134
where: short stacking energy: -70.712
Base-Backbone interact. energy: -0.909
local terms energy: -81.509949
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -20.251
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -14.432
tors. eta vs tors. theta energy: -18.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -240.547705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.547705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.547705 (E_RNA)
where:
Base-Base interactions energy: -154.000
where: short stacking energy: -61.856
Base-Backbone interact. energy: -0.543
local terms energy: -86.003868
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -20.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -180.632407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.632407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.632407 (E_RNA)
where:
Base-Base interactions energy: -104.569
where: short stacking energy: -60.358
Base-Backbone interact. energy: -0.198
local terms energy: -75.865269
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -18.743
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -11.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -103.600683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.600683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.600683 (E_RNA)
where:
Base-Base interactions energy: -38.622
where: short stacking energy: -33.657
Base-Backbone interact. energy: -0.069
local terms energy: -64.909328
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -13.573
tors. eta vs tors. theta energy: -1.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -111.064615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.064615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.064615 (E_RNA)
where:
Base-Base interactions energy: -51.639
where: short stacking energy: -47.572
Base-Backbone interact. energy: -0.206
local terms energy: -59.220058
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -20.623
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: 1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -102.950342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.950342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.950342 (E_RNA)
where:
Base-Base interactions energy: -33.663
where: short stacking energy: -31.527
Base-Backbone interact. energy: -1.030
local terms energy: -68.257471
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -7.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -329.326178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.326178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.326178 (E_RNA)
where:
Base-Base interactions energy: -226.188
where: short stacking energy: -95.521
Base-Backbone interact. energy: -0.089
local terms energy: -103.048949
where:
bonds (distance) C4'-P energy: -20.295
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -24.653
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -25.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -324.994560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.994560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.994560 (E_RNA)
where:
Base-Base interactions energy: -224.391
where: short stacking energy: -97.724
Base-Backbone interact. energy: 1.578
local terms energy: -102.181625
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -21.788
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -29.685
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: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -314.904250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.904250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.904250 (E_RNA)
where:
Base-Base interactions energy: -220.639
where: short stacking energy: -91.074
Base-Backbone interact. energy: 0.148
local terms energy: -94.413382
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -20.720
flat angles P-C4'-P energy: -19.074
tors. eta vs tors. theta energy: -23.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -274.545037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.545037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.545037 (E_RNA)
where:
Base-Base interactions energy: -182.855
where: short stacking energy: -68.891
Base-Backbone interact. energy: 1.583
local terms energy: -93.272610
where:
bonds (distance) C4'-P energy: -19.532
bonds (distance) P-C4' energy: -21.614
flat angles C4'-P-C4' energy: -20.012
flat angles P-C4'-P energy: -15.446
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -290.957751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.957751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.957751 (E_RNA)
where:
Base-Base interactions energy: -196.127
where: short stacking energy: -82.835
Base-Backbone interact. energy: -0.822
local terms energy: -94.008634
where:
bonds (distance) C4'-P energy: -19.730
bonds (distance) P-C4' energy: -24.460
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -26.338
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: 6
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -238.148222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.148222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.148222 (E_RNA)
where:
Base-Base interactions energy: -146.746
where: short stacking energy: -62.148
Base-Backbone interact. energy: -0.352
local terms energy: -91.050275
where:
bonds (distance) C4'-P energy: -19.337
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -19.474
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -18.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -175.027840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.027840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.027840 (E_RNA)
where:
Base-Base interactions energy: -101.973
where: short stacking energy: -53.642
Base-Backbone interact. energy: -0.039
local terms energy: -73.015992
where:
bonds (distance) C4'-P energy: -17.860
bonds (distance) P-C4' energy: -17.537
flat angles C4'-P-C4' energy: -21.929
flat angles P-C4'-P energy: -5.025
tors. eta vs tors. theta energy: -10.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -123.302911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.302911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.302911 (E_RNA)
where:
Base-Base interactions energy: -59.393
where: short stacking energy: -44.168
Base-Backbone interact. energy: 1.124
local terms energy: -65.033779
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -20.976
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -11.663
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: 4
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -104.868695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.868695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.868695 (E_RNA)
where:
Base-Base interactions energy: -51.621
where: short stacking energy: -33.643
Base-Backbone interact. energy: 3.063
local terms energy: -56.310389
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: 0.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -98.571816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.571816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.571816 (E_RNA)
where:
Base-Base interactions energy: -38.301
where: short stacking energy: -30.640
Base-Backbone interact. energy: -0.844
local terms energy: -59.427026
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -24.186
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -4.804
tors. eta vs tors. theta energy: -1.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -324.507490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.507490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.507490 (E_RNA)
where:
Base-Base interactions energy: -227.091
where: short stacking energy: -95.207
Base-Backbone interact. energy: -0.368
local terms energy: -97.048202
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -22.551
flat angles C4'-P-C4' energy: -24.766
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -23.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -325.482777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.482777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.482777 (E_RNA)
where:
Base-Base interactions energy: -219.073
where: short stacking energy: -101.112
Base-Backbone interact. energy: -0.806
local terms energy: -105.603214
where:
bonds (distance) C4'-P energy: -19.635
bonds (distance) P-C4' energy: -20.269
flat angles C4'-P-C4' energy: -23.066
flat angles P-C4'-P energy: -14.615
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: 3, replica: 2
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -322.908266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.908266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.908266 (E_RNA)
where:
Base-Base interactions energy: -218.681
where: short stacking energy: -96.695
Base-Backbone interact. energy: -0.108
local terms energy: -104.118640
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -20.009
flat angles C4'-P-C4' energy: -22.745
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -26.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -284.441794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.441794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.441794 (E_RNA)
where:
Base-Base interactions energy: -193.214
where: short stacking energy: -78.345
Base-Backbone interact. energy: -0.259
local terms energy: -90.969376
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -22.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -299.495247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.495247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.495247 (E_RNA)
where:
Base-Base interactions energy: -203.761
where: short stacking energy: -79.747
Base-Backbone interact. energy: 0.191
local terms energy: -95.924693
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -21.935
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -19.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -220.880621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.880621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.880621 (E_RNA)
where:
Base-Base interactions energy: -147.349
where: short stacking energy: -63.981
Base-Backbone interact. energy: 0.735
local terms energy: -74.267168
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -14.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -184.526416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.526416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.526416 (E_RNA)
where:
Base-Base interactions energy: -104.591
where: short stacking energy: -58.761
Base-Backbone interact. energy: -0.226
local terms energy: -79.708985
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -11.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -174.183803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.183803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.183803 (E_RNA)
where:
Base-Base interactions energy: -100.100
where: short stacking energy: -55.752
Base-Backbone interact. energy: -0.286
local terms energy: -73.797375
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -9.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -107.906966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.906966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.906966 (E_RNA)
where:
Base-Base interactions energy: -49.489
where: short stacking energy: -33.622
Base-Backbone interact. energy: 5.611
local terms energy: -64.028110
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -1.202
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: 10, replica: 4
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -117.225043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.225043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.225043 (E_RNA)
where:
Base-Base interactions energy: -58.083
where: short stacking energy: -44.381
Base-Backbone interact. energy: -0.016
local terms energy: -59.125317
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -0.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -336.582590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.582590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.582590 (E_RNA)
where:
Base-Base interactions energy: -230.352
where: short stacking energy: -98.084
Base-Backbone interact. energy: -0.598
local terms energy: -105.633200
where:
bonds (distance) C4'-P energy: -21.254
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -22.545
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -28.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -325.042928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.042928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.042928 (E_RNA)
where:
Base-Base interactions energy: -222.890
where: short stacking energy: -98.314
Base-Backbone interact. energy: -0.100
local terms energy: -102.053082
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -20.905
flat angles P-C4'-P energy: -18.336
tors. eta vs tors. theta energy: -26.691
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: 3, replica: 5
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -323.786403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.786403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.786403 (E_RNA)
where:
Base-Base interactions energy: -217.400
where: short stacking energy: -96.186
Base-Backbone interact. energy: -0.082
local terms energy: -106.304333
where:
bonds (distance) C4'-P energy: -20.948
bonds (distance) P-C4' energy: -21.217
flat angles C4'-P-C4' energy: -22.883
flat angles P-C4'-P energy: -16.247
tors. eta vs tors. theta energy: -25.009
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: 4, replica: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -304.569358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.569358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.569358 (E_RNA)
where:
Base-Base interactions energy: -211.735
where: short stacking energy: -83.674
Base-Backbone interact. energy: -0.111
local terms energy: -92.723326
where:
bonds (distance) C4'-P energy: -21.676
bonds (distance) P-C4' energy: -18.693
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -24.842
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: 10
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -259.743066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.743066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.743066 (E_RNA)
where:
Base-Base interactions energy: -173.004
where: short stacking energy: -76.562
Base-Backbone interact. energy: 0.108
local terms energy: -86.847466
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -19.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -233.168338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.168338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.168338 (E_RNA)
where:
Base-Base interactions energy: -153.332
where: short stacking energy: -73.282
Base-Backbone interact. energy: -0.363
local terms energy: -79.473944
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -19.854
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -14.707
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: 8
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -176.316589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.316589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.316589 (E_RNA)
where:
Base-Base interactions energy: -101.580
where: short stacking energy: -56.813
Base-Backbone interact. energy: -0.517
local terms energy: -74.219227
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -20.635
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -9.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -157.680256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.680256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.680256 (E_RNA)
where:
Base-Base interactions energy: -93.034
where: short stacking energy: -46.602
Base-Backbone interact. energy: -0.941
local terms energy: -63.705545
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -3.600
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -11.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -124.090835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.090835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.090835 (E_RNA)
where:
Base-Base interactions energy: -54.251
where: short stacking energy: -54.251
Base-Backbone interact. energy: -0.246
local terms energy: -69.594213
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -7.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -103.768226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.768226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.768226 (E_RNA)
where:
Base-Base interactions energy: -32.644
where: short stacking energy: -30.857
Base-Backbone interact. energy: -0.246
local terms energy: -70.878038
where:
bonds (distance) C4'-P energy: -21.048
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -4.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -331.215250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.215250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.215250 (E_RNA)
where:
Base-Base interactions energy: -220.064
where: short stacking energy: -94.826
Base-Backbone interact. energy: -0.409
local terms energy: -110.742447
where:
bonds (distance) C4'-P energy: -22.049
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -23.880
flat angles P-C4'-P energy: -18.376
tors. eta vs tors. theta energy: -27.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -322.067866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.067866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.067866 (E_RNA)
where:
Base-Base interactions energy: -218.549
where: short stacking energy: -95.216
Base-Backbone interact. energy: -0.605
local terms energy: -102.913172
where:
bonds (distance) C4'-P energy: -18.577
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -23.388
flat angles P-C4'-P energy: -16.996
tors. eta vs tors. theta energy: -22.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -320.239763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.239763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.239763 (E_RNA)
where:
Base-Base interactions energy: -221.039
where: short stacking energy: -102.372
Base-Backbone interact. energy: -0.201
local terms energy: -98.999704
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -19.826
flat angles C4'-P-C4' energy: -19.428
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -29.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -304.755569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.755569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.755569 (E_RNA)
where:
Base-Base interactions energy: -212.295
where: short stacking energy: -89.658
Base-Backbone interact. energy: -0.074
local terms energy: -92.386654
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -17.304
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -24.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -281.369099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.369099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.369099 (E_RNA)
where:
Base-Base interactions energy: -193.747
where: short stacking energy: -74.845
Base-Backbone interact. energy: 0.230
local terms energy: -87.851890
where:
bonds (distance) C4'-P energy: -22.226
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -23.487
flat angles P-C4'-P energy: -5.455
tors. eta vs tors. theta energy: -17.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -246.530414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.530414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.530414 (E_RNA)
where:
Base-Base interactions energy: -177.948
where: short stacking energy: -63.134
Base-Backbone interact. energy: 0.412
local terms energy: -68.994371
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -4.310
tors. eta vs tors. theta energy: -16.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -174.281012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.281012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.281012 (E_RNA)
where:
Base-Base interactions energy: -94.748
where: short stacking energy: -50.326
Base-Backbone interact. energy: -0.133
local terms energy: -79.399580
where:
bonds (distance) C4'-P energy: -19.194
bonds (distance) P-C4' energy: -20.405
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -15.007
tors. eta vs tors. theta energy: -9.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -171.737962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.737962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.737962 (E_RNA)
where:
Base-Base interactions energy: -96.621
where: short stacking energy: -44.798
Base-Backbone interact. energy: 3.391
local terms energy: -78.508158
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -10.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -109.039958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.039958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.039958 (E_RNA)
where:
Base-Base interactions energy: -47.011
where: short stacking energy: -21.810
Base-Backbone interact. energy: 0.473
local terms energy: -62.502081
where:
bonds (distance) C4'-P energy: -20.616
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -14.177
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: 10, replica: 3
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -111.995922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.995922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.995922 (E_RNA)
where:
Base-Base interactions energy: -49.957
where: short stacking energy: -27.067
Base-Backbone interact. energy: -0.252
local terms energy: -61.786683
where:
bonds (distance) C4'-P energy: -23.738
bonds (distance) P-C4' energy: -21.062
flat angles C4'-P-C4' energy: -9.626
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: 2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -336.648380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.648380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.648380 (E_RNA)
where:
Base-Base interactions energy: -225.741
where: short stacking energy: -101.860
Base-Backbone interact. energy: -0.219
local terms energy: -110.688499
where:
bonds (distance) C4'-P energy: -22.353
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -16.793
tors. eta vs tors. theta energy: -30.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -331.788054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.788054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.788054 (E_RNA)
where:
Base-Base interactions energy: -223.576
where: short stacking energy: -98.203
Base-Backbone interact. energy: -0.988
local terms energy: -107.224653
where:
bonds (distance) C4'-P energy: -22.112
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -20.745
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -30.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -324.207932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.207932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.207932 (E_RNA)
where:
Base-Base interactions energy: -217.200
where: short stacking energy: -93.894
Base-Backbone interact. energy: -0.338
local terms energy: -106.669771
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -23.003
flat angles P-C4'-P energy: -16.122
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -315.359616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.359616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.359616 (E_RNA)
where:
Base-Base interactions energy: -220.876
where: short stacking energy: -97.291
Base-Backbone interact. energy: -0.112
local terms energy: -94.371479
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -20.446
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -24.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -273.510144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.510144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.510144 (E_RNA)
where:
Base-Base interactions energy: -193.656
where: short stacking energy: -72.436
Base-Backbone interact. energy: -0.116
local terms energy: -79.738046
where:
bonds (distance) C4'-P energy: -8.893
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -19.615
flat angles P-C4'-P energy: -15.808
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: 10
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -240.489235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.489235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.489235 (E_RNA)
where:
Base-Base interactions energy: -164.662
where: short stacking energy: -70.672
Base-Backbone interact. energy: -0.212
local terms energy: -75.614989
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -17.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -201.177562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.177562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.177562 (E_RNA)
where:
Base-Base interactions energy: -127.244
where: short stacking energy: -63.254
Base-Backbone interact. energy: 3.035
local terms energy: -76.968556
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -20.555
flat angles P-C4'-P energy: -5.104
tors. eta vs tors. theta energy: -11.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -173.212245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.212245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.212245 (E_RNA)
where:
Base-Base interactions energy: -101.575
where: short stacking energy: -40.899
Base-Backbone interact. energy: -0.239
local terms energy: -71.398389
where:
bonds (distance) C4'-P energy: -20.886
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -104.894573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.894573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.894573 (E_RNA)
where:
Base-Base interactions energy: -43.226
where: short stacking energy: -30.934
Base-Backbone interact. energy: 1.125
local terms energy: -62.793682
where:
bonds (distance) C4'-P energy: -19.549
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -98.123089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.123089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.123089 (E_RNA)
where:
Base-Base interactions energy: -36.442
where: short stacking energy: -33.014
Base-Backbone interact. energy: 0.234
local terms energy: -61.914702
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -21.421
flat angles C4'-P-C4' energy: -7.520
flat angles P-C4'-P energy: -15.746
tors. eta vs tors. theta energy: 1.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -336.684280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.684280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.684280 (E_RNA)
where:
Base-Base interactions energy: -237.762
where: short stacking energy: -93.570
Base-Backbone interact. energy: -0.147
local terms energy: -98.775561
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -22.402
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -28.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -321.240724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.240724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.240724 (E_RNA)
where:
Base-Base interactions energy: -218.896
where: short stacking energy: -97.734
Base-Backbone interact. energy: -0.147
local terms energy: -102.197545
where:
bonds (distance) C4'-P energy: -20.658
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -22.612
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -29.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -316.923552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.923552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.923552 (E_RNA)
where:
Base-Base interactions energy: -216.600
where: short stacking energy: -93.327
Base-Backbone interact. energy: -0.146
local terms energy: -100.177861
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -21.719
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -27.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -314.479312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.479312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.479312 (E_RNA)
where:
Base-Base interactions energy: -213.271
where: short stacking energy: -93.703
Base-Backbone interact. energy: 0.016
local terms energy: -101.224568
where:
bonds (distance) C4'-P energy: -21.503
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -23.452
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -24.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -276.736568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.736568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.736568 (E_RNA)
where:
Base-Base interactions energy: -190.549
where: short stacking energy: -78.347
Base-Backbone interact. energy: -0.020
local terms energy: -86.167054
where:
bonds (distance) C4'-P energy: -21.979
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -16.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -244.409967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.409967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.409967 (E_RNA)
where:
Base-Base interactions energy: -160.897
where: short stacking energy: -72.831
Base-Backbone interact. energy: -0.335
local terms energy: -83.178117
where:
bonds (distance) C4'-P energy: -18.447
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -21.048
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -15.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -197.912117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.912117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.912117 (E_RNA)
where:
Base-Base interactions energy: -117.746
where: short stacking energy: -57.441
Base-Backbone interact. energy: -0.013
local terms energy: -80.152985
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -20.875
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -13.150
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: 8, replica: 8
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -131.040650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.040650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.040650 (E_RNA)
where:
Base-Base interactions energy: -73.700
where: short stacking energy: -47.101
Base-Backbone interact. energy: -1.051
local terms energy: -56.289880
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -5.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -128.002758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.002758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.002758 (E_RNA)
where:
Base-Base interactions energy: -58.561
where: short stacking energy: -47.106
Base-Backbone interact. energy: -0.118
local terms energy: -69.323445
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -9.204
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -13.315
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: 10, replica: 4
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -101.008336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.008336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.008336 (E_RNA)
where:
Base-Base interactions energy: -45.728
where: short stacking energy: -36.385
Base-Backbone interact. energy: -0.162
local terms energy: -55.118127
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -9.898
flat angles P-C4'-P energy: -9.589
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: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -338.791551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.791551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.791551 (E_RNA)
where:
Base-Base interactions energy: -239.187
where: short stacking energy: -98.027
Base-Backbone interact. energy: -0.394
local terms energy: -99.210466
where:
bonds (distance) C4'-P energy: -22.253
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -21.618
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -27.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -321.443345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.443345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.443345 (E_RNA)
where:
Base-Base interactions energy: -215.453
where: short stacking energy: -93.074
Base-Backbone interact. energy: -0.038
local terms energy: -105.952763
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -22.944
flat angles P-C4'-P energy: -14.152
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: 3, replica: 7
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -315.583285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.583285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.583285 (E_RNA)
where:
Base-Base interactions energy: -215.886
where: short stacking energy: -95.505
Base-Backbone interact. energy: -0.096
local terms energy: -99.601426
where:
bonds (distance) C4'-P energy: -22.360
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -13.231
tors. eta vs tors. theta energy: -27.450
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: 6
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -283.380916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.380916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.380916 (E_RNA)
where:
Base-Base interactions energy: -198.478
where: short stacking energy: -72.488
Base-Backbone interact. energy: -0.433
local terms energy: -84.469758
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -21.324
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: 5, replica: 9
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -302.659725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.659725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.659725 (E_RNA)
where:
Base-Base interactions energy: -213.113
where: short stacking energy: -92.809
Base-Backbone interact. energy: 2.652
local terms energy: -92.198879
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -15.762
tors. eta vs tors. theta energy: -25.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -241.614166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.614166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.614166 (E_RNA)
where:
Base-Base interactions energy: -149.982
where: short stacking energy: -67.647
Base-Backbone interact. energy: -0.166
local terms energy: -91.465858
where:
bonds (distance) C4'-P energy: -19.951
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -21.108
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -20.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -175.505860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.505860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.505860 (E_RNA)
where:
Base-Base interactions energy: -95.901
where: short stacking energy: -49.896
Base-Backbone interact. energy: -0.598
local terms energy: -79.006303
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -19.223
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -14.827
tors. eta vs tors. theta energy: -6.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -144.443833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.443833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.443833 (E_RNA)
where:
Base-Base interactions energy: -68.520
where: short stacking energy: -44.905
Base-Backbone interact. energy: -0.128
local terms energy: -75.795054
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -11.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -104.445711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.445711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.445711 (E_RNA)
where:
Base-Base interactions energy: -38.417
where: short stacking energy: -24.393
Base-Backbone interact. energy: -0.588
local terms energy: -65.440461
where:
bonds (distance) C4'-P energy: -21.834
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: 0.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -103.821092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.821092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.821092 (E_RNA)
where:
Base-Base interactions energy: -33.133
where: short stacking energy: -27.373
Base-Backbone interact. energy: 0.516
local terms energy: -71.204101
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -23.236
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: 1.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -341.218288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.218288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.218288 (E_RNA)
where:
Base-Base interactions energy: -234.370
where: short stacking energy: -97.671
Base-Backbone interact. energy: -0.049
local terms energy: -106.799446
where:
bonds (distance) C4'-P energy: -23.362
bonds (distance) P-C4' energy: -23.970
flat angles C4'-P-C4' energy: -19.240
flat angles P-C4'-P energy: -17.087
tors. eta vs tors. theta energy: -23.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -312.169603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.169603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.169603 (E_RNA)
where:
Base-Base interactions energy: -219.607
where: short stacking energy: -85.316
Base-Backbone interact. energy: -0.430
local terms energy: -92.132760
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -15.008
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: 3, replica: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -328.100167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.100167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.100167 (E_RNA)
where:
Base-Base interactions energy: -222.932
where: short stacking energy: -97.994
Base-Backbone interact. energy: -0.111
local terms energy: -105.056830
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -19.603
tors. eta vs tors. theta energy: -28.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -298.731303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.731303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.731303 (E_RNA)
where:
Base-Base interactions energy: -201.201
where: short stacking energy: -78.231
Base-Backbone interact. energy: -0.104
local terms energy: -97.425646
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -22.645
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -8.062
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: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -305.135312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.135312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.135312 (E_RNA)
where:
Base-Base interactions energy: -199.288
where: short stacking energy: -97.973
Base-Backbone interact. energy: -0.737
local terms energy: -105.110291
where:
bonds (distance) C4'-P energy: -20.895
bonds (distance) P-C4' energy: -23.173
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: -27.731
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: 476
Temperature: 1.150000
Total energy: -251.054501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.054501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.054501 (E_RNA)
where:
Base-Base interactions energy: -167.596
where: short stacking energy: -65.823
Base-Backbone interact. energy: 1.081
local terms energy: -84.539617
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -21.252
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -13.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -181.240582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.240582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.240582 (E_RNA)
where:
Base-Base interactions energy: -105.104
where: short stacking energy: -48.284
Base-Backbone interact. energy: -0.143
local terms energy: -75.993438
where:
bonds (distance) C4'-P energy: -21.051
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -6.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -127.349712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.349712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.349712 (E_RNA)
where:
Base-Base interactions energy: -54.834
where: short stacking energy: -41.599
Base-Backbone interact. energy: 0.192
local terms energy: -72.707253
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -13.645
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: 9, replica: 4
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -103.333804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.333804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.333804 (E_RNA)
where:
Base-Base interactions energy: -50.045
where: short stacking energy: -48.579
Base-Backbone interact. energy: 0.430
local terms energy: -53.718911
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -2.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -95.834194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.834194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.834194 (E_RNA)
where:
Base-Base interactions energy: -33.969
where: short stacking energy: -33.818
Base-Backbone interact. energy: -1.892
local terms energy: -59.973359
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: 0.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -333.682107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.682107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.682107 (E_RNA)
where:
Base-Base interactions energy: -231.382
where: short stacking energy: -90.248
Base-Backbone interact. energy: -0.074
local terms energy: -102.226631
where:
bonds (distance) C4'-P energy: -22.317
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -15.680
tors. eta vs tors. theta energy: -24.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -319.820235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.820235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.820235 (E_RNA)
where:
Base-Base interactions energy: -221.316
where: short stacking energy: -91.943
Base-Backbone interact. energy: -0.594
local terms energy: -97.910617
where:
bonds (distance) C4'-P energy: -21.151
bonds (distance) P-C4' energy: -21.089
flat angles C4'-P-C4' energy: -19.916
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -23.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -316.569808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.569808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.569808 (E_RNA)
where:
Base-Base interactions energy: -215.914
where: short stacking energy: -90.132
Base-Backbone interact. energy: -0.414
local terms energy: -100.242240
where:
bonds (distance) C4'-P energy: -20.613
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -19.890
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -24.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -280.069334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.069334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.069334 (E_RNA)
where:
Base-Base interactions energy: -203.226
where: short stacking energy: -79.463
Base-Backbone interact. energy: -0.365
local terms energy: -76.478086
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -19.854
flat angles C4'-P-C4' energy: -20.542
flat angles P-C4'-P energy: -1.969
tors. eta vs tors. theta energy: -18.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -306.930386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.930386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.930386 (E_RNA)
where:
Base-Base interactions energy: -207.043
where: short stacking energy: -80.556
Base-Backbone interact. energy: -1.013
local terms energy: -98.874456
where:
bonds (distance) C4'-P energy: -21.353
bonds (distance) P-C4' energy: -22.144
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -23.851
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: 1
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -195.025459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.025459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.025459 (E_RNA)
where:
Base-Base interactions energy: -124.661
where: short stacking energy: -54.439
Base-Backbone interact. energy: -0.404
local terms energy: -69.960511
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -9.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -240.208656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.208656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.208656 (E_RNA)
where:
Base-Base interactions energy: -155.038
where: short stacking energy: -66.501
Base-Backbone interact. energy: -0.222
local terms energy: -84.949047
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -111.484108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.484108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.484108 (E_RNA)
where:
Base-Base interactions energy: -40.586
where: short stacking energy: -39.031
Base-Backbone interact. energy: -0.613
local terms energy: -70.285170
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -21.641
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -12.573
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: 9, replica: 8
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -107.214205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.214205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.214205 (E_RNA)
where:
Base-Base interactions energy: -40.305
where: short stacking energy: -33.906
Base-Backbone interact. energy: -1.182
local terms energy: -65.726953
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -22.268
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -103.948924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.948924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.948924 (E_RNA)
where:
Base-Base interactions energy: -50.639
where: short stacking energy: -19.816
Base-Backbone interact. energy: -1.004
local terms energy: -52.306073
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -17.334
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: 4.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -332.350888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.350888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.350888 (E_RNA)
where:
Base-Base interactions energy: -223.453
where: short stacking energy: -94.019
Base-Backbone interact. energy: -0.152
local terms energy: -108.746044
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -23.175
flat angles C4'-P-C4' energy: -22.182
flat angles P-C4'-P energy: -17.791
tors. eta vs tors. theta energy: -25.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -326.920535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.920535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.920535 (E_RNA)
where:
Base-Base interactions energy: -222.825
where: short stacking energy: -96.379
Base-Backbone interact. energy: -0.145
local terms energy: -103.950952
where:
bonds (distance) C4'-P energy: -21.070
bonds (distance) P-C4' energy: -20.457
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -15.795
tors. eta vs tors. theta energy: -27.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -319.667120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.667120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.667120 (E_RNA)
where:
Base-Base interactions energy: -217.967
where: short stacking energy: -95.912
Base-Backbone interact. energy: -0.096
local terms energy: -101.603700
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -21.341
flat angles C4'-P-C4' energy: -21.172
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -27.692
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: 6
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -292.039688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.039688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.039688 (E_RNA)
where:
Base-Base interactions energy: -201.259
where: short stacking energy: -79.013
Base-Backbone interact. energy: -0.093
local terms energy: -90.687865
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -20.923
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -22.621
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: 5, replica: 9
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -314.957789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.957789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.957789 (E_RNA)
where:
Base-Base interactions energy: -220.267
where: short stacking energy: -87.688
Base-Backbone interact. energy: -0.177
local terms energy: -94.513405
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -19.560
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -26.484
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: 1
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -217.212602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.212602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.212602 (E_RNA)
where:
Base-Base interactions energy: -135.144
where: short stacking energy: -61.233
Base-Backbone interact. energy: -0.417
local terms energy: -81.651297
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -16.356
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: 10
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -252.890175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.890175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.890175 (E_RNA)
where:
Base-Base interactions energy: -163.840
where: short stacking energy: -67.446
Base-Backbone interact. energy: -0.306
local terms energy: -88.744640
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -17.589
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -19.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -129.282913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.282913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.282913 (E_RNA)
where:
Base-Base interactions energy: -69.054
where: short stacking energy: -49.854
Base-Backbone interact. energy: -0.268
local terms energy: -59.960860
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -131.083074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.083074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.083074 (E_RNA)
where:
Base-Base interactions energy: -64.095
where: short stacking energy: -28.486
Base-Backbone interact. energy: -0.786
local terms energy: -66.202062
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -20.170
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -4.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -102.897649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.897649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.897649 (E_RNA)
where:
Base-Base interactions energy: -39.127
where: short stacking energy: -34.274
Base-Backbone interact. energy: -0.814
local terms energy: -62.956357
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -21.632
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: 4.129
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: 1, replica: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -335.051251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.051251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.051251 (E_RNA)
where:
Base-Base interactions energy: -222.821
where: short stacking energy: -99.792
Base-Backbone interact. energy: -0.135
local terms energy: -112.095873
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -24.080
flat angles C4'-P-C4' energy: -21.810
flat angles P-C4'-P energy: -15.668
tors. eta vs tors. theta energy: -30.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -330.820562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.820562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.820562 (E_RNA)
where:
Base-Base interactions energy: -229.083
where: short stacking energy: -103.743
Base-Backbone interact. energy: -0.268
local terms energy: -101.469946
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -18.895
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: -27.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -313.021010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.021010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.021010 (E_RNA)
where:
Base-Base interactions energy: -222.402
where: short stacking energy: -96.263
Base-Backbone interact. energy: -0.582
local terms energy: -90.036837
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -20.328
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -13.599
tors. eta vs tors. theta energy: -26.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -302.199093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.199093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.199093 (E_RNA)
where:
Base-Base interactions energy: -207.157
where: short stacking energy: -84.846
Base-Backbone interact. energy: -0.060
local terms energy: -94.982369
where:
bonds (distance) C4'-P energy: -18.937
bonds (distance) P-C4' energy: -20.260
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -24.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -291.716583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.716583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.716583 (E_RNA)
where:
Base-Base interactions energy: -194.425
where: short stacking energy: -83.238
Base-Backbone interact. energy: 1.470
local terms energy: -98.761792
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -23.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -238.143310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.143310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.143310 (E_RNA)
where:
Base-Base interactions energy: -156.056
where: short stacking energy: -56.434
Base-Backbone interact. energy: 0.127
local terms energy: -82.214273
where:
bonds (distance) C4'-P energy: -19.420
bonds (distance) P-C4' energy: -19.849
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -13.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -202.810821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.810821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.810821 (E_RNA)
where:
Base-Base interactions energy: -130.366
where: short stacking energy: -51.166
Base-Backbone interact. energy: -1.168
local terms energy: -71.276601
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -22.074
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -4.951
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: 8, replica: 4
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -116.569710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.569710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.569710 (E_RNA)
where:
Base-Base interactions energy: -46.672
where: short stacking energy: -40.080
Base-Backbone interact. energy: -0.222
local terms energy: -69.675089
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -21.137
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -5.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -107.697189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.697189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.697189 (E_RNA)
where:
Base-Base interactions energy: -52.312
where: short stacking energy: -38.762
Base-Backbone interact. energy: -0.687
local terms energy: -54.698673
where:
bonds (distance) C4'-P energy: -19.367
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -10.415
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -6.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -106.228540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.228540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.228540 (E_RNA)
where:
Base-Base interactions energy: -32.465
where: short stacking energy: -32.465
Base-Backbone interact. energy: 0.210
local terms energy: -73.973590
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -22.709
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -17.299
tors. eta vs tors. theta energy: -2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -336.166288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.166288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.166288 (E_RNA)
where:
Base-Base interactions energy: -225.182
where: short stacking energy: -103.407
Base-Backbone interact. energy: -0.102
local terms energy: -110.881888
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -24.850
flat angles C4'-P-C4' energy: -20.813
flat angles P-C4'-P energy: -18.222
tors. eta vs tors. theta energy: -30.099
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: 2
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -327.873611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.873611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.873611 (E_RNA)
where:
Base-Base interactions energy: -227.035
where: short stacking energy: -93.663
Base-Backbone interact. energy: -0.720
local terms energy: -100.118540
where:
bonds (distance) C4'-P energy: -19.553
bonds (distance) P-C4' energy: -19.642
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -28.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -319.913210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.913210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.913210 (E_RNA)
where:
Base-Base interactions energy: -219.575
where: short stacking energy: -90.514
Base-Backbone interact. energy: -0.728
local terms energy: -99.610693
where:
bonds (distance) C4'-P energy: -19.619
bonds (distance) P-C4' energy: -20.381
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -17.680
tors. eta vs tors. theta energy: -23.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -278.733320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.733320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.733320 (E_RNA)
where:
Base-Base interactions energy: -189.370
where: short stacking energy: -78.039
Base-Backbone interact. energy: -0.342
local terms energy: -89.021523
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -20.943
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -24.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -301.443022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.443022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.443022 (E_RNA)
where:
Base-Base interactions energy: -200.621
where: short stacking energy: -84.023
Base-Backbone interact. energy: -0.642
local terms energy: -100.179915
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -22.791
flat angles C4'-P-C4' energy: -20.499
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -25.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -174.027557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.027557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.027557 (E_RNA)
where:
Base-Base interactions energy: -101.060
where: short stacking energy: -55.022
Base-Backbone interact. energy: -1.852
local terms energy: -71.115706
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -14.701
tors. eta vs tors. theta energy: -8.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -210.672015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.672015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.672015 (E_RNA)
where:
Base-Base interactions energy: -143.020
where: short stacking energy: -64.186
Base-Backbone interact. energy: -1.263
local terms energy: -66.389016
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -10.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -111.849588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.849588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.849588 (E_RNA)
where:
Base-Base interactions energy: -38.751
where: short stacking energy: -33.474
Base-Backbone interact. energy: 0.612
local terms energy: -73.710387
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -20.803
flat angles C4'-P-C4' energy: -18.231
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -94.263145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.263145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.263145 (E_RNA)
where:
Base-Base interactions energy: -37.819
where: short stacking energy: -30.352
Base-Backbone interact. energy: -0.185
local terms energy: -56.259155
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -20.231
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -7.287
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: 10, replica: 3
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -110.056686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.056686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.056686 (E_RNA)
where:
Base-Base interactions energy: -42.374
where: short stacking energy: -29.866
Base-Backbone interact. energy: -0.911
local terms energy: -66.771771
where:
bonds (distance) C4'-P energy: -20.217
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -15.392
tors. eta vs tors. theta energy: 1.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -330.148986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.148986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.148986 (E_RNA)
where:
Base-Base interactions energy: -223.069
where: short stacking energy: -94.848
Base-Backbone interact. energy: -1.682
local terms energy: -105.398895
where:
bonds (distance) C4'-P energy: -22.638
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -21.601
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -29.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -321.803876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.803876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.803876 (E_RNA)
where:
Base-Base interactions energy: -228.771
where: short stacking energy: -89.809
Base-Backbone interact. energy: -0.124
local terms energy: -92.909423
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -18.944
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -25.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -319.598280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.598280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.598280 (E_RNA)
where:
Base-Base interactions energy: -213.411
where: short stacking energy: -92.535
Base-Backbone interact. energy: -1.536
local terms energy: -104.651660
where:
bonds (distance) C4'-P energy: -23.675
bonds (distance) P-C4' energy: -20.970
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -27.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -308.170518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.170518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.170518 (E_RNA)
where:
Base-Base interactions energy: -209.177
where: short stacking energy: -86.443
Base-Backbone interact. energy: -0.694
local terms energy: -98.300148
where:
bonds (distance) C4'-P energy: -18.933
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -15.479
tors. eta vs tors. theta energy: -23.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -276.903904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.903904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.903904 (E_RNA)
where:
Base-Base interactions energy: -191.115
where: short stacking energy: -80.477
Base-Backbone interact. energy: -0.785
local terms energy: -85.004243
where:
bonds (distance) C4'-P energy: -19.940
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -21.971
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: 1
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -207.704414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.704414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.704414 (E_RNA)
where:
Base-Base interactions energy: -133.598
where: short stacking energy: -66.043
Base-Backbone interact. energy: -0.161
local terms energy: -73.944939
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -18.959
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -6.302
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: 10
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -189.746884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.746884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.746884 (E_RNA)
where:
Base-Base interactions energy: -113.160
where: short stacking energy: -41.411
Base-Backbone interact. energy: -0.689
local terms energy: -75.897793
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -20.378
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -7.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -134.361570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.361570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.361570 (E_RNA)
where:
Base-Base interactions energy: -64.588
where: short stacking energy: -42.627
Base-Backbone interact. energy: -1.397
local terms energy: -68.376985
where:
bonds (distance) C4'-P energy: -9.079
bonds (distance) P-C4' energy: -20.595
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -9.927
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: 9, replica: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -108.830546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.830546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.830546 (E_RNA)
where:
Base-Base interactions energy: -53.009
where: short stacking energy: -42.237
Base-Backbone interact. energy: -0.377
local terms energy: -55.444541
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -10.569
flat angles P-C4'-P energy: -3.622
tors. eta vs tors. theta energy: -6.703
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: 3
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -96.297694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.297694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.297694 (E_RNA)
where:
Base-Base interactions energy: -33.275
where: short stacking energy: -30.192
Base-Backbone interact. energy: -0.223
local terms energy: -62.799974
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -21.709
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -3.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -336.939427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.939427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.939427 (E_RNA)
where:
Base-Base interactions energy: -233.300
where: short stacking energy: -93.730
Base-Backbone interact. energy: -0.133
local terms energy: -103.505973
where:
bonds (distance) C4'-P energy: -22.502
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -22.834
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -26.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -319.834357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.834357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.834357 (E_RNA)
where:
Base-Base interactions energy: -210.191
where: short stacking energy: -84.492
Base-Backbone interact. energy: -1.212
local terms energy: -108.431018
where:
bonds (distance) C4'-P energy: -21.529
bonds (distance) P-C4' energy: -24.511
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -26.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -321.706375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.706375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.706375 (E_RNA)
where:
Base-Base interactions energy: -223.640
where: short stacking energy: -101.033
Base-Backbone interact. energy: -0.150
local terms energy: -97.915893
where:
bonds (distance) C4'-P energy: -17.484
bonds (distance) P-C4' energy: -19.366
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -15.084
tors. eta vs tors. theta energy: -27.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -312.096578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.096578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.096578 (E_RNA)
where:
Base-Base interactions energy: -218.234
where: short stacking energy: -99.577
Base-Backbone interact. energy: -0.334
local terms energy: -93.528668
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -23.781
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -26.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -272.751049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.751049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.751049 (E_RNA)
where:
Base-Base interactions energy: -192.931
where: short stacking energy: -71.625
Base-Backbone interact. energy: -0.566
local terms energy: -79.253707
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -20.002
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -6.212
tors. eta vs tors. theta energy: -17.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -230.393911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.393911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.393911 (E_RNA)
where:
Base-Base interactions energy: -148.756
where: short stacking energy: -77.090
Base-Backbone interact. energy: -0.115
local terms energy: -81.522811
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -21.737
flat angles C4'-P-C4' energy: -18.302
flat angles P-C4'-P energy: -8.571
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: 7, replica: 10
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -189.000122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.000122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.000122 (E_RNA)
where:
Base-Base interactions energy: -116.191
where: short stacking energy: -57.671
Base-Backbone interact. energy: -0.189
local terms energy: -72.620362
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -2.457
tors. eta vs tors. theta energy: -13.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -122.346469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.346469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.346469 (E_RNA)
where:
Base-Base interactions energy: -55.225
where: short stacking energy: -41.096
Base-Backbone interact. energy: -0.528
local terms energy: -66.593792
where:
bonds (distance) C4'-P energy: -21.879
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -18.452
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -1.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -124.573777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.573777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.573777 (E_RNA)
where:
Base-Base interactions energy: -54.294
where: short stacking energy: -41.936
Base-Backbone interact. energy: -0.499
local terms energy: -69.780714
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -9.372
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: 10, replica: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -119.755114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.755114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.755114 (E_RNA)
where:
Base-Base interactions energy: -69.896
where: short stacking energy: -22.411
Base-Backbone interact. energy: -0.150
local terms energy: -49.708691
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -19.765
flat angles C4'-P-C4' energy: -11.311
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: 6.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -331.681506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.681506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.681506 (E_RNA)
where:
Base-Base interactions energy: -216.213
where: short stacking energy: -90.416
Base-Backbone interact. energy: -0.118
local terms energy: -115.350482
where:
bonds (distance) C4'-P energy: -19.631
bonds (distance) P-C4' energy: -25.027
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -19.639
tors. eta vs tors. theta energy: -29.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -325.436433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.436433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.436433 (E_RNA)
where:
Base-Base interactions energy: -223.134
where: short stacking energy: -93.701
Base-Backbone interact. energy: 0.044
local terms energy: -102.346683
where:
bonds (distance) C4'-P energy: -19.420
bonds (distance) P-C4' energy: -22.066
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -26.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -314.427619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.427619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.427619 (E_RNA)
where:
Base-Base interactions energy: -217.850
where: short stacking energy: -101.133
Base-Backbone interact. energy: 0.135
local terms energy: -96.713242
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -19.310
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -28.477
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: 6
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -282.638026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.638026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.638026 (E_RNA)
where:
Base-Base interactions energy: -202.962
where: short stacking energy: -76.724
Base-Backbone interact. energy: -0.117
local terms energy: -79.558849
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -20.801
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -16.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -308.539034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.539034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.539034 (E_RNA)
where:
Base-Base interactions energy: -206.531
where: short stacking energy: -84.063
Base-Backbone interact. energy: 0.227
local terms energy: -102.234094
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -22.322
flat angles P-C4'-P energy: -11.752
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: 6, replica: 1
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -217.778853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.778853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.778853 (E_RNA)
where:
Base-Base interactions energy: -141.198
where: short stacking energy: -60.462
Base-Backbone interact. energy: -0.131
local terms energy: -76.450001
where:
bonds (distance) C4'-P energy: -22.120
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -13.841
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: 7, replica: 10
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -167.986352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.986352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.986352 (E_RNA)
where:
Base-Base interactions energy: -102.895
where: short stacking energy: -48.208
Base-Backbone interact. energy: 1.071
local terms energy: -66.162573
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -7.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -123.313767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.313767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.313767 (E_RNA)
where:
Base-Base interactions energy: -59.019
where: short stacking energy: -47.182
Base-Backbone interact. energy: 0.434
local terms energy: -64.728827
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -6.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -113.045307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.045307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.045307 (E_RNA)
where:
Base-Base interactions energy: -42.645
where: short stacking energy: -34.270
Base-Backbone interact. energy: -0.454
local terms energy: -69.945609
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -18.699
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -16.680
tors. eta vs tors. theta energy: -1.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -108.112592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.112592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.112592 (E_RNA)
where:
Base-Base interactions energy: -51.196
where: short stacking energy: -49.248
Base-Backbone interact. energy: -0.492
local terms energy: -56.424664
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -4.218
tors. eta vs tors. theta energy: -8.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -334.041489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.041489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.041489 (E_RNA)
where:
Base-Base interactions energy: -230.777
where: short stacking energy: -102.879
Base-Backbone interact. energy: -0.348
local terms energy: -102.915996
where:
bonds (distance) C4'-P energy: -19.841
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -20.188
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -27.792
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: 7
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -324.610174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.610174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.610174 (E_RNA)
where:
Base-Base interactions energy: -218.503
where: short stacking energy: -100.510
Base-Backbone interact. energy: -0.950
local terms energy: -105.157256
where:
bonds (distance) C4'-P energy: -23.987
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -19.716
flat angles P-C4'-P energy: -16.972
tors. eta vs tors. theta energy: -22.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -323.769196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.769196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.769196 (E_RNA)
where:
Base-Base interactions energy: -216.922
where: short stacking energy: -97.306
Base-Backbone interact. energy: -1.152
local terms energy: -105.695938
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -23.523
flat angles C4'-P-C4' energy: -23.903
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -27.865
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: 6
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -283.715732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.715732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.715732 (E_RNA)
where:
Base-Base interactions energy: -199.942
where: short stacking energy: -76.352
Base-Backbone interact. energy: -0.213
local terms energy: -83.561424
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -20.634
flat angles P-C4'-P energy: -12.071
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: 5, replica: 9
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -304.645289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.645289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.645289 (E_RNA)
where:
Base-Base interactions energy: -204.598
where: short stacking energy: -90.956
Base-Backbone interact. energy: -0.959
local terms energy: -99.088347
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -17.951
flat angles C4'-P-C4' energy: -22.494
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -24.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -232.429247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.429247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.429247 (E_RNA)
where:
Base-Base interactions energy: -151.740
where: short stacking energy: -72.542
Base-Backbone interact. energy: 0.741
local terms energy: -81.430136
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -21.577
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -14.295
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: 484
Temperature: 1.200000
Total energy: -185.462198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.462198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.462198 (E_RNA)
where:
Base-Base interactions energy: -108.740
where: short stacking energy: -63.139
Base-Backbone interact. energy: -0.670
local terms energy: -76.051695
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -21.198
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -12.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -129.355344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.355344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.355344 (E_RNA)
where:
Base-Base interactions energy: -59.961
where: short stacking energy: -31.099
Base-Backbone interact. energy: -0.156
local terms energy: -69.237956
where:
bonds (distance) C4'-P energy: -22.716
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -1.055
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: 484
Temperature: 1.300000
Total energy: -140.954082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.954082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.954082 (E_RNA)
where:
Base-Base interactions energy: -71.599
where: short stacking energy: -46.525
Base-Backbone interact. energy: -0.222
local terms energy: -69.132542
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -21.043
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -95.708681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.708681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.708681 (E_RNA)
where:
Base-Base interactions energy: -40.051
where: short stacking energy: -40.051
Base-Backbone interact. energy: 0.474
local terms energy: -56.131316
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -9.321
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: 1, replica: 5
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -330.857860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.857860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.857860 (E_RNA)
where:
Base-Base interactions energy: -226.954
where: short stacking energy: -97.713
Base-Backbone interact. energy: -0.572
local terms energy: -103.331131
where:
bonds (distance) C4'-P energy: -22.170
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -27.965
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: 2
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -327.370808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.370808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.370808 (E_RNA)
where:
Base-Base interactions energy: -221.915
where: short stacking energy: -100.210
Base-Backbone interact. energy: -0.748
local terms energy: -104.708443
where:
bonds (distance) C4'-P energy: -20.824
bonds (distance) P-C4' energy: -20.253
flat angles C4'-P-C4' energy: -19.838
flat angles P-C4'-P energy: -17.291
tors. eta vs tors. theta energy: -26.502
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: 3, replica: 7
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -315.201199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.201199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.201199 (E_RNA)
where:
Base-Base interactions energy: -214.588
where: short stacking energy: -92.973
Base-Backbone interact. energy: -0.296
local terms energy: -100.317652
where:
bonds (distance) C4'-P energy: -22.435
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -21.872
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -24.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -296.894705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.894705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.894705 (E_RNA)
where:
Base-Base interactions energy: -207.397
where: short stacking energy: -90.355
Base-Backbone interact. energy: 1.377
local terms energy: -90.874579
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -20.719
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -23.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -271.854521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.854521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.854521 (E_RNA)
where:
Base-Base interactions energy: -179.849
where: short stacking energy: -79.321
Base-Backbone interact. energy: -0.199
local terms energy: -91.806478
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -20.737
flat angles C4'-P-C4' energy: -22.909
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -19.532
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: 1
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -203.322584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.322584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.322584 (E_RNA)
where:
Base-Base interactions energy: -134.585
where: short stacking energy: -61.479
Base-Backbone interact. energy: -0.045
local terms energy: -68.692851
where:
bonds (distance) C4'-P energy: -19.339
bonds (distance) P-C4' energy: -19.115
flat angles C4'-P-C4' energy: -9.535
flat angles P-C4'-P energy: -8.099
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: 7, replica: 10
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -183.074822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.074822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.074822 (E_RNA)
where:
Base-Base interactions energy: -106.171
where: short stacking energy: -61.424
Base-Backbone interact. energy: -0.559
local terms energy: -76.345648
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -20.893
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -9.934
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: 8, replica: 8
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -120.164525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.164525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.164525 (E_RNA)
where:
Base-Base interactions energy: -47.380
where: short stacking energy: -46.649
Base-Backbone interact. energy: -0.005
local terms energy: -72.780003
where:
bonds (distance) C4'-P energy: -22.128
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -21.701
flat angles P-C4'-P energy: -3.196
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: 9, replica: 3
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -121.833039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.833039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.833039 (E_RNA)
where:
Base-Base interactions energy: -58.336
where: short stacking energy: -36.732
Base-Backbone interact. energy: -1.144
local terms energy: -62.352666
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -5.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -110.111531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.111531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.111531 (E_RNA)
where:
Base-Base interactions energy: -45.294
where: short stacking energy: -44.385
Base-Backbone interact. energy: 2.057
local terms energy: -66.874463
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -4.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -320.939632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.939632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.939632 (E_RNA)
where:
Base-Base interactions energy: -217.087
where: short stacking energy: -95.846
Base-Backbone interact. energy: -0.228
local terms energy: -103.624958
where:
bonds (distance) C4'-P energy: -20.564
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -19.983
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -27.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -321.354337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.354337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.354337 (E_RNA)
where:
Base-Base interactions energy: -217.929
where: short stacking energy: -98.904
Base-Backbone interact. energy: -0.116
local terms energy: -103.310007
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -21.009
flat angles C4'-P-C4' energy: -20.397
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -26.055
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: 3, replica: 7
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -322.494279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.494279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.494279 (E_RNA)
where:
Base-Base interactions energy: -220.439
where: short stacking energy: -91.204
Base-Backbone interact. energy: -0.076
local terms energy: -101.979317
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -20.464
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -27.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -289.235434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.235434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.235434 (E_RNA)
where:
Base-Base interactions energy: -201.927
where: short stacking energy: -86.089
Base-Backbone interact. energy: 0.362
local terms energy: -87.670318
where:
bonds (distance) C4'-P energy: -21.869
bonds (distance) P-C4' energy: -17.715
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -20.000
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: 5, replica: 6
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -267.596816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.596816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.596816 (E_RNA)
where:
Base-Base interactions energy: -182.750
where: short stacking energy: -77.166
Base-Backbone interact. energy: 0.056
local terms energy: -84.903089
where:
bonds (distance) C4'-P energy: -21.462
bonds (distance) P-C4' energy: -20.660
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -8.817
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: 6, replica: 1
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -217.321328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.321328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.321328 (E_RNA)
where:
Base-Base interactions energy: -127.086
where: short stacking energy: -64.782
Base-Backbone interact. energy: -0.176
local terms energy: -90.059383
where:
bonds (distance) C4'-P energy: -18.662
bonds (distance) P-C4' energy: -23.679
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -5.939
tors. eta vs tors. theta energy: -22.531
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: 10
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -197.023080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.023080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.023080 (E_RNA)
where:
Base-Base interactions energy: -119.560
where: short stacking energy: -67.801
Base-Backbone interact. energy: -0.495
local terms energy: -76.968054
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -17.961
flat angles C4'-P-C4' energy: -21.601
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -14.479
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: 486
Temperature: 1.250000
Total energy: -130.233226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.233226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.233226 (E_RNA)
where:
Base-Base interactions energy: -59.213
where: short stacking energy: -55.374
Base-Backbone interact. energy: -0.293
local terms energy: -70.726860
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -9.029
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: 3
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -139.514705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.514705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.514705 (E_RNA)
where:
Base-Base interactions energy: -59.154
where: short stacking energy: -42.844
Base-Backbone interact. energy: -0.806
local terms energy: -79.554854
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -15.565
tors. eta vs tors. theta energy: -6.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -100.114420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.114420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.114420 (E_RNA)
where:
Base-Base interactions energy: -26.137
where: short stacking energy: -24.140
Base-Backbone interact. energy: -0.173
local terms energy: -73.804981
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -24.016
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -7.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -317.367772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.367772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.367772 (E_RNA)
where:
Base-Base interactions energy: -221.712
where: short stacking energy: -97.157
Base-Backbone interact. energy: -0.802
local terms energy: -94.854152
where:
bonds (distance) C4'-P energy: -18.261
bonds (distance) P-C4' energy: -22.399
flat angles C4'-P-C4' energy: -20.660
flat angles P-C4'-P energy: -11.824
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: 7
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -335.913157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.913157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.913157 (E_RNA)
where:
Base-Base interactions energy: -221.965
where: short stacking energy: -98.461
Base-Backbone interact. energy: -0.340
local terms energy: -113.607580
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -25.708
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: -25.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -321.321204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.321204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.321204 (E_RNA)
where:
Base-Base interactions energy: -217.656
where: short stacking energy: -89.481
Base-Backbone interact. energy: -1.360
local terms energy: -102.305081
where:
bonds (distance) C4'-P energy: -19.465
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -23.203
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -30.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -308.606416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.606416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.606416 (E_RNA)
where:
Base-Base interactions energy: -209.210
where: short stacking energy: -91.189
Base-Backbone interact. energy: 0.166
local terms energy: -99.562904
where:
bonds (distance) C4'-P energy: -19.918
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: -28.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -272.409289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.409289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.409289 (E_RNA)
where:
Base-Base interactions energy: -187.736
where: short stacking energy: -77.538
Base-Backbone interact. energy: -0.515
local terms energy: -84.158535
where:
bonds (distance) C4'-P energy: -20.123
bonds (distance) P-C4' energy: -19.174
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -13.528
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: 1
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -200.172336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.172336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.172336 (E_RNA)
where:
Base-Base interactions energy: -121.889
where: short stacking energy: -57.360
Base-Backbone interact. energy: -0.341
local terms energy: -77.942853
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -10.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -192.461052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.461052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.461052 (E_RNA)
where:
Base-Base interactions energy: -116.977
where: short stacking energy: -57.393
Base-Backbone interact. energy: -0.112
local terms energy: -75.372091
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -8.987
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: 8, replica: 3
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -125.113083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.113083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.113083 (E_RNA)
where:
Base-Base interactions energy: -50.338
where: short stacking energy: -34.820
Base-Backbone interact. energy: -0.388
local terms energy: -74.387268
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -20.930
flat angles C4'-P-C4' energy: -20.884
flat angles P-C4'-P energy: -10.696
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: 9, replica: 8
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -179.066363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.066363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.066363 (E_RNA)
where:
Base-Base interactions energy: -120.007
where: short stacking energy: -46.981
Base-Backbone interact. energy: 1.969
local terms energy: -61.028269
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -19.645
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -7.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -113.294076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.294076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.294076 (E_RNA)
where:
Base-Base interactions energy: -46.769
where: short stacking energy: -23.490
Base-Backbone interact. energy: -0.584
local terms energy: -65.941064
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -333.998278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.998278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.998278 (E_RNA)
where:
Base-Base interactions energy: -226.645
where: short stacking energy: -90.526
Base-Backbone interact. energy: -2.267
local terms energy: -105.086436
where:
bonds (distance) C4'-P energy: -19.614
bonds (distance) P-C4' energy: -23.163
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -28.063
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: 2
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -322.397858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.397858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.397858 (E_RNA)
where:
Base-Base interactions energy: -222.489
where: short stacking energy: -96.099
Base-Backbone interact. energy: 0.502
local terms energy: -100.410855
where:
bonds (distance) C4'-P energy: -19.927
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -28.925
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: 3, replica: 5
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -318.448470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.448470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.448470 (E_RNA)
where:
Base-Base interactions energy: -221.515
where: short stacking energy: -100.190
Base-Backbone interact. energy: -0.644
local terms energy: -96.289645
where:
bonds (distance) C4'-P energy: -18.448
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -20.267
flat angles P-C4'-P energy: -16.149
tors. eta vs tors. theta energy: -28.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -310.152210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.152210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.152210 (E_RNA)
where:
Base-Base interactions energy: -212.650
where: short stacking energy: -87.434
Base-Backbone interact. energy: -1.052
local terms energy: -96.450804
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -23.367
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -15.093
tors. eta vs tors. theta energy: -25.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -291.451587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.451587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.451587 (E_RNA)
where:
Base-Base interactions energy: -201.506
where: short stacking energy: -79.537
Base-Backbone interact. energy: -0.877
local terms energy: -89.069498
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -21.270
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -8.218
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: 6, replica: 1
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -226.132920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.132920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.132920 (E_RNA)
where:
Base-Base interactions energy: -136.066
where: short stacking energy: -67.733
Base-Backbone interact. energy: -0.032
local terms energy: -90.034720
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -19.022
flat angles C4'-P-C4' energy: -20.889
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -21.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -119.782318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.782318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.782318 (E_RNA)
where:
Base-Base interactions energy: -52.219
where: short stacking energy: -46.475
Base-Backbone interact. energy: -0.132
local terms energy: -67.430989
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -4.378
tors. eta vs tors. theta energy: -10.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -169.921583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.921583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.921583 (E_RNA)
where:
Base-Base interactions energy: -98.591
where: short stacking energy: -52.583
Base-Backbone interact. energy: -0.215
local terms energy: -71.115665
where:
bonds (distance) C4'-P energy: -23.399
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -8.538
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: 9, replica: 4
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -103.677147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.677147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.677147 (E_RNA)
where:
Base-Base interactions energy: -35.638
where: short stacking energy: -32.940
Base-Backbone interact. energy: -0.138
local terms energy: -67.901624
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -104.595269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.595269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.595269 (E_RNA)
where:
Base-Base interactions energy: -29.597
where: short stacking energy: -28.742
Base-Backbone interact. energy: -0.466
local terms energy: -74.532614
where:
bonds (distance) C4'-P energy: -21.676
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -13.097
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: 7
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -330.578531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.578531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.578531 (E_RNA)
where:
Base-Base interactions energy: -222.046
where: short stacking energy: -89.676
Base-Backbone interact. energy: -0.105
local terms energy: -108.427539
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -23.547
flat angles P-C4'-P energy: -18.010
tors. eta vs tors. theta energy: -28.392
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: 5
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -320.655451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.655451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.655451 (E_RNA)
where:
Base-Base interactions energy: -223.158
where: short stacking energy: -93.895
Base-Backbone interact. energy: -0.123
local terms energy: -97.374854
where:
bonds (distance) C4'-P energy: -17.326
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -24.296
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -22.684
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: 3, replica: 2
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -318.169355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.169355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.169355 (E_RNA)
where:
Base-Base interactions energy: -218.077
where: short stacking energy: -88.923
Base-Backbone interact. energy: -0.212
local terms energy: -99.879858
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -20.739
flat angles P-C4'-P energy: -19.707
tors. eta vs tors. theta energy: -27.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -308.127389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.127389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.127389 (E_RNA)
where:
Base-Base interactions energy: -203.342
where: short stacking energy: -83.307
Base-Backbone interact. energy: 0.384
local terms energy: -105.170291
where:
bonds (distance) C4'-P energy: -22.347
bonds (distance) P-C4' energy: -22.419
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -26.351
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: 6
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -295.359122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.359122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.359122 (E_RNA)
where:
Base-Base interactions energy: -208.975
where: short stacking energy: -82.977
Base-Backbone interact. energy: -0.863
local terms energy: -85.520250
where:
bonds (distance) C4'-P energy: -18.550
bonds (distance) P-C4' energy: -20.260
flat angles C4'-P-C4' energy: -20.572
flat angles P-C4'-P energy: -4.283
tors. eta vs tors. theta energy: -21.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -208.486474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.486474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.486474 (E_RNA)
where:
Base-Base interactions energy: -131.984
where: short stacking energy: -67.319
Base-Backbone interact. energy: -0.165
local terms energy: -76.336855
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -18.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -139.059953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.059953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.059953 (E_RNA)
where:
Base-Base interactions energy: -72.124
where: short stacking energy: -46.853
Base-Backbone interact. energy: -0.125
local terms energy: -66.811046
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -7.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -129.410004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.410004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.410004 (E_RNA)
where:
Base-Base interactions energy: -51.476
where: short stacking energy: -52.376
Base-Backbone interact. energy: -0.041
local terms energy: -77.892983
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -18.315
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: 10
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -125.664296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.664296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.664296 (E_RNA)
where:
Base-Base interactions energy: -59.960
where: short stacking energy: -38.413
Base-Backbone interact. energy: -0.837
local terms energy: -64.867392
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -19.893
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -5.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -102.040183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.040183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.040183 (E_RNA)
where:
Base-Base interactions energy: -36.903
where: short stacking energy: -23.404
Base-Backbone interact. energy: 3.282
local terms energy: -68.418844
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -15.441
tors. eta vs tors. theta energy: 1.360
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: 490
Temperature: 0.900000
Total energy: -330.594209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.594209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.594209 (E_RNA)
where:
Base-Base interactions energy: -236.803
where: short stacking energy: -91.788
Base-Backbone interact. energy: -1.120
local terms energy: -92.671173
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -25.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -313.343021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.343021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.343021 (E_RNA)
where:
Base-Base interactions energy: -222.130
where: short stacking energy: -89.604
Base-Backbone interact. energy: 2.397
local terms energy: -93.609381
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -18.940
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -20.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -317.638183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.638183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.638183 (E_RNA)
where:
Base-Base interactions energy: -218.388
where: short stacking energy: -97.476
Base-Backbone interact. energy: -0.195
local terms energy: -99.055477
where:
bonds (distance) C4'-P energy: -22.321
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -17.043
tors. eta vs tors. theta energy: -23.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -320.513273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.513273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.513273 (E_RNA)
where:
Base-Base interactions energy: -214.176
where: short stacking energy: -88.518
Base-Backbone interact. energy: 1.017
local terms energy: -107.354447
where:
bonds (distance) C4'-P energy: -20.178
bonds (distance) P-C4' energy: -21.141
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -31.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -295.532267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.532267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.532267 (E_RNA)
where:
Base-Base interactions energy: -205.189
where: short stacking energy: -84.564
Base-Backbone interact. energy: -0.323
local terms energy: -90.020243
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -23.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -212.211638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.211638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.211638 (E_RNA)
where:
Base-Base interactions energy: -130.353
where: short stacking energy: -58.227
Base-Backbone interact. energy: -0.110
local terms energy: -81.748184
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -13.758
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: 7, replica: 4
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -131.949372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.949372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.949372 (E_RNA)
where:
Base-Base interactions energy: -62.463
where: short stacking energy: -49.444
Base-Backbone interact. energy: 0.746
local terms energy: -70.232546
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -7.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -107.695856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.695856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.695856 (E_RNA)
where:
Base-Base interactions energy: -38.584
where: short stacking energy: -37.413
Base-Backbone interact. energy: -0.196
local terms energy: -68.916675
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -21.632
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -9.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -105.128364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.128364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.128364 (E_RNA)
where:
Base-Base interactions energy: -38.336
where: short stacking energy: -31.381
Base-Backbone interact. energy: -0.362
local terms energy: -66.430185
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -11.474
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: 10
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -92.705025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.705025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.705025 (E_RNA)
where:
Base-Base interactions energy: -37.471
where: short stacking energy: -25.061
Base-Backbone interact. energy: -0.297
local terms energy: -54.937666
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -18.589
flat angles P-C4'-P energy: 0.014
tors. eta vs tors. theta energy: -0.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -328.036783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.036783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.036783 (E_RNA)
where:
Base-Base interactions energy: -221.395
where: short stacking energy: -98.982
Base-Backbone interact. energy: -0.175
local terms energy: -106.466775
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -16.300
tors. eta vs tors. theta energy: -27.469
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: 9
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -324.066529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.066529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.066529 (E_RNA)
where:
Base-Base interactions energy: -219.985
where: short stacking energy: -87.347
Base-Backbone interact. energy: -0.123
local terms energy: -103.958325
where:
bonds (distance) C4'-P energy: -22.131
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -23.378
flat angles P-C4'-P energy: -15.269
tors. eta vs tors. theta energy: -20.990
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: 3, replica: 5
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -316.612942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.612942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.612942 (E_RNA)
where:
Base-Base interactions energy: -227.864
where: short stacking energy: -90.291
Base-Backbone interact. energy: -0.650
local terms energy: -88.099243
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -18.574
flat angles C4'-P-C4' energy: -23.306
flat angles P-C4'-P energy: -11.604
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: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -309.113143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.113143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.113143 (E_RNA)
where:
Base-Base interactions energy: -204.802
where: short stacking energy: -92.811
Base-Backbone interact. energy: -0.592
local terms energy: -103.719607
where:
bonds (distance) C4'-P energy: -22.371
bonds (distance) P-C4' energy: -21.984
flat angles C4'-P-C4' energy: -21.166
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -27.021
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: 5, replica: 6
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -281.604266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.604266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.604266 (E_RNA)
where:
Base-Base interactions energy: -203.246
where: short stacking energy: -90.334
Base-Backbone interact. energy: -0.098
local terms energy: -78.260691
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -11.511
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -20.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -201.398394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.398394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.398394 (E_RNA)
where:
Base-Base interactions energy: -134.750
where: short stacking energy: -59.924
Base-Backbone interact. energy: 0.325
local terms energy: -66.973201
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -18.170
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -12.794
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: 7, replica: 4
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -120.981660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.981660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.981660 (E_RNA)
where:
Base-Base interactions energy: -54.056
where: short stacking energy: -51.689
Base-Backbone interact. energy: -0.452
local terms energy: -66.473271
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -7.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -147.759707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.759707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.759707 (E_RNA)
where:
Base-Base interactions energy: -59.813
where: short stacking energy: -41.756
Base-Backbone interact. energy: 1.505
local terms energy: -89.451542
where:
bonds (distance) C4'-P energy: -23.569
bonds (distance) P-C4' energy: -23.203
flat angles C4'-P-C4' energy: -20.979
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -8.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -104.490155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.490155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.490155 (E_RNA)
where:
Base-Base interactions energy: -40.652
where: short stacking energy: -35.625
Base-Backbone interact. energy: -1.838
local terms energy: -62.000108
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -19.207
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -1.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -107.045642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.045642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.045642 (E_RNA)
where:
Base-Base interactions energy: -42.697
where: short stacking energy: -42.697
Base-Backbone interact. energy: -0.086
local terms energy: -64.262227
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -15.235
flat angles C4'-P-C4' energy: -8.704
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -9.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -336.755202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.755202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.755202 (E_RNA)
where:
Base-Base interactions energy: -231.378
where: short stacking energy: -102.304
Base-Backbone interact. energy: 1.802
local terms energy: -107.179051
where:
bonds (distance) C4'-P energy: -17.620
bonds (distance) P-C4' energy: -23.258
flat angles C4'-P-C4' energy: -21.712
flat angles P-C4'-P energy: -15.174
tors. eta vs tors. theta energy: -29.416
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: 7
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -326.716489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.716489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.716489 (E_RNA)
where:
Base-Base interactions energy: -222.740
where: short stacking energy: -101.954
Base-Backbone interact. energy: -0.194
local terms energy: -103.782580
where:
bonds (distance) C4'-P energy: -20.816
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -22.736
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -27.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -321.735331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.735331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.735331 (E_RNA)
where:
Base-Base interactions energy: -214.502
where: short stacking energy: -98.351
Base-Backbone interact. energy: -0.782
local terms energy: -106.451417
where:
bonds (distance) C4'-P energy: -19.642
bonds (distance) P-C4' energy: -23.373
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -16.442
tors. eta vs tors. theta energy: -28.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -303.066984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.066984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.066984 (E_RNA)
where:
Base-Base interactions energy: -206.837
where: short stacking energy: -83.210
Base-Backbone interact. energy: -0.179
local terms energy: -96.050595
where:
bonds (distance) C4'-P energy: -23.167
bonds (distance) P-C4' energy: -18.661
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -26.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -277.895781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.895781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.895781 (E_RNA)
where:
Base-Base interactions energy: -194.362
where: short stacking energy: -70.430
Base-Backbone interact. energy: -0.363
local terms energy: -83.171715
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -20.508
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -19.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -206.840413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.840413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.840413 (E_RNA)
where:
Base-Base interactions energy: -133.229
where: short stacking energy: -55.773
Base-Backbone interact. energy: -0.424
local terms energy: -73.186871
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -19.161
flat angles C4'-P-C4' energy: -18.700
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -12.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -154.485215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.485215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.485215 (E_RNA)
where:
Base-Base interactions energy: -79.664
where: short stacking energy: -51.713
Base-Backbone interact. energy: -0.301
local terms energy: -74.519772
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -10.454
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: 4
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -120.065276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.065276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.065276 (E_RNA)
where:
Base-Base interactions energy: -52.193
where: short stacking energy: -52.193
Base-Backbone interact. energy: -0.043
local terms energy: -67.829154
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -10.113
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -13.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -102.473489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.473489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.473489 (E_RNA)
where:
Base-Base interactions energy: -29.116
where: short stacking energy: -29.116
Base-Backbone interact. energy: -0.367
local terms energy: -72.990535
where:
bonds (distance) C4'-P energy: -20.791
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -100.815001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.815001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.815001 (E_RNA)
where:
Base-Base interactions energy: -35.688
where: short stacking energy: -35.688
Base-Backbone interact. energy: -0.249
local terms energy: -64.878348
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -19.152
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -0.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -331.352300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.352300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.352300 (E_RNA)
where:
Base-Base interactions energy: -221.442
where: short stacking energy: -95.325
Base-Backbone interact. energy: -0.767
local terms energy: -109.143157
where:
bonds (distance) C4'-P energy: -22.058
bonds (distance) P-C4' energy: -19.466
flat angles C4'-P-C4' energy: -23.184
flat angles P-C4'-P energy: -18.611
tors. eta vs tors. theta energy: -25.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -321.432886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.432886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.432886 (E_RNA)
where:
Base-Base interactions energy: -212.086
where: short stacking energy: -83.726
Base-Backbone interact. energy: -0.172
local terms energy: -109.174925
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -23.815
flat angles C4'-P-C4' energy: -22.999
flat angles P-C4'-P energy: -15.951
tors. eta vs tors. theta energy: -27.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -322.199648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.199648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.199648 (E_RNA)
where:
Base-Base interactions energy: -218.103
where: short stacking energy: -90.358
Base-Backbone interact. energy: 0.925
local terms energy: -105.022032
where:
bonds (distance) C4'-P energy: -21.288
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -21.763
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: -27.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -284.396972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.396972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.396972 (E_RNA)
where:
Base-Base interactions energy: -205.508
where: short stacking energy: -81.360
Base-Backbone interact. energy: -0.855
local terms energy: -78.034378
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -17.938
flat angles C4'-P-C4' energy: -20.747
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -18.457
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: 5, replica: 5
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -301.715919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.715919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.715919 (E_RNA)
where:
Base-Base interactions energy: -210.031
where: short stacking energy: -97.123
Base-Backbone interact. energy: -0.181
local terms energy: -91.503774
where:
bonds (distance) C4'-P energy: -22.978
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -30.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -197.286117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.286117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.286117 (E_RNA)
where:
Base-Base interactions energy: -122.766
where: short stacking energy: -52.858
Base-Backbone interact. energy: -0.078
local terms energy: -74.442712
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -22.026
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -11.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -122.124534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.124534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.124534 (E_RNA)
where:
Base-Base interactions energy: -55.731
where: short stacking energy: -47.292
Base-Backbone interact. energy: -0.267
local terms energy: -66.126091
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -18.538
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -16.963
tors. eta vs tors. theta energy: -4.303
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: 3
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -102.440858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.440858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.440858 (E_RNA)
where:
Base-Base interactions energy: -38.789
where: short stacking energy: -28.431
Base-Backbone interact. energy: -0.731
local terms energy: -62.921115
where:
bonds (distance) C4'-P energy: -19.798
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -20.127
flat angles P-C4'-P energy: -8.473
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: 4
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -131.925811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.925811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.925811 (E_RNA)
where:
Base-Base interactions energy: -54.039
where: short stacking energy: -32.547
Base-Backbone interact. energy: -0.383
local terms energy: -77.503941
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -14.646
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: 10, replica: 10
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -119.584026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.584026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.584026 (E_RNA)
where:
Base-Base interactions energy: -55.698
where: short stacking energy: -55.698
Base-Backbone interact. energy: 0.819
local terms energy: -64.704746
where:
bonds (distance) C4'-P energy: -19.194
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -3.248
tors. eta vs tors. theta energy: -6.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -335.536824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.536824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.536824 (E_RNA)
where:
Base-Base interactions energy: -226.721
where: short stacking energy: -100.999
Base-Backbone interact. energy: -0.574
local terms energy: -108.242138
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -23.724
flat angles C4'-P-C4' energy: -21.841
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -29.278
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: 9
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -323.551549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.551549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.551549 (E_RNA)
where:
Base-Base interactions energy: -224.867
where: short stacking energy: -97.915
Base-Backbone interact. energy: -0.187
local terms energy: -98.497500
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -20.173
flat angles C4'-P-C4' energy: -21.267
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -26.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -321.757287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.757287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.757287 (E_RNA)
where:
Base-Base interactions energy: -223.491
where: short stacking energy: -91.980
Base-Backbone interact. energy: -0.439
local terms energy: -97.827305
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -22.916
flat angles C4'-P-C4' energy: -20.758
flat angles P-C4'-P energy: -12.812
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: 4, replica: 6
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -280.344244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.344244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.344244 (E_RNA)
where:
Base-Base interactions energy: -184.113
where: short stacking energy: -79.384
Base-Backbone interact. energy: -0.573
local terms energy: -95.657502
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -20.914
flat angles P-C4'-P energy: -16.464
tors. eta vs tors. theta energy: -20.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -300.144104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.144104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.144104 (E_RNA)
where:
Base-Base interactions energy: -212.724
where: short stacking energy: -93.806
Base-Backbone interact. energy: 0.794
local terms energy: -88.214202
where:
bonds (distance) C4'-P energy: -17.724
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -20.864
flat angles P-C4'-P energy: -12.296
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: 6, replica: 1
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -194.457247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.457247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.457247 (E_RNA)
where:
Base-Base interactions energy: -106.906
where: short stacking energy: -58.771
Base-Backbone interact. energy: -0.142
local terms energy: -87.409701
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -23.424
flat angles C4'-P-C4' energy: -18.614
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -16.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -123.391397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.391397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.391397 (E_RNA)
where:
Base-Base interactions energy: -53.397
where: short stacking energy: -48.726
Base-Backbone interact. energy: -0.590
local terms energy: -69.405005
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -21.797
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -9.314
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: 8, replica: 8
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -116.506849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.506849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.506849 (E_RNA)
where:
Base-Base interactions energy: -48.911
where: short stacking energy: -48.911
Base-Backbone interact. energy: -0.090
local terms energy: -67.506404
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -19.980
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -10.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -105.504046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.504046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.504046 (E_RNA)
where:
Base-Base interactions energy: -45.892
where: short stacking energy: -42.128
Base-Backbone interact. energy: -0.265
local terms energy: -59.346952
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -2.705
tors. eta vs tors. theta energy: -4.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -105.296035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.296035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.296035 (E_RNA)
where:
Base-Base interactions energy: -46.172
where: short stacking energy: -31.187
Base-Backbone interact. energy: -0.636
local terms energy: -58.487869
where:
bonds (distance) C4'-P energy: -20.497
bonds (distance) P-C4' energy: -21.774
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -4.615
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: 2
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -329.192859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.192859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.192859 (E_RNA)
where:
Base-Base interactions energy: -220.511
where: short stacking energy: -92.969
Base-Backbone interact. energy: -0.366
local terms energy: -108.314906
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -20.028
flat angles C4'-P-C4' energy: -25.478
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -26.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -328.454971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.454971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.454971 (E_RNA)
where:
Base-Base interactions energy: -228.681
where: short stacking energy: -102.204
Base-Backbone interact. energy: -0.451
local terms energy: -99.322792
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -16.770
tors. eta vs tors. theta energy: -27.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -300.774026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.774026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.774026 (E_RNA)
where:
Base-Base interactions energy: -200.253
where: short stacking energy: -79.465
Base-Backbone interact. energy: -0.495
local terms energy: -100.025321
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -17.888
flat angles C4'-P-C4' energy: -24.389
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -26.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -290.866314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.866314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.866314 (E_RNA)
where:
Base-Base interactions energy: -197.672
where: short stacking energy: -78.605
Base-Backbone interact. energy: -0.258
local terms energy: -92.936205
where:
bonds (distance) C4'-P energy: -20.199
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -21.660
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: 6
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -274.272883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.272883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.272883 (E_RNA)
where:
Base-Base interactions energy: -202.094
where: short stacking energy: -76.467
Base-Backbone interact. energy: -0.252
local terms energy: -71.926274
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -19.425
flat angles P-C4'-P energy: -10.791
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: 6, replica: 1
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -185.122951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.122951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.122951 (E_RNA)
where:
Base-Base interactions energy: -100.251
where: short stacking energy: -62.490
Base-Backbone interact. energy: 0.033
local terms energy: -84.904945
where:
bonds (distance) C4'-P energy: -23.042
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -14.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -137.873214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.873214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.873214 (E_RNA)
where:
Base-Base interactions energy: -57.412
where: short stacking energy: -42.134
Base-Backbone interact. energy: -0.941
local terms energy: -79.520625
where:
bonds (distance) C4'-P energy: -19.714
bonds (distance) P-C4' energy: -20.166
flat angles C4'-P-C4' energy: -20.390
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -6.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -114.315896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.315896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.315896 (E_RNA)
where:
Base-Base interactions energy: -35.179
where: short stacking energy: -35.179
Base-Backbone interact. energy: -0.363
local terms energy: -78.773551
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -19.956
flat angles P-C4'-P energy: -10.763
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: 9, replica: 10
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -106.405224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.405224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.405224 (E_RNA)
where:
Base-Base interactions energy: -47.566
where: short stacking energy: -33.549
Base-Backbone interact. energy: -0.837
local terms energy: -58.001671
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -1.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -96.314299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.314299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.314299 (E_RNA)
where:
Base-Base interactions energy: -40.485
where: short stacking energy: -29.407
Base-Backbone interact. energy: -0.603
local terms energy: -55.225573
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -19.377
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: 0.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -326.699760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.699760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.699760 (E_RNA)
where:
Base-Base interactions energy: -222.790
where: short stacking energy: -90.801
Base-Backbone interact. energy: 0.425
local terms energy: -104.334463
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -24.279
flat angles P-C4'-P energy: -18.384
tors. eta vs tors. theta energy: -23.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -330.541439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.541439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.541439 (E_RNA)
where:
Base-Base interactions energy: -223.292
where: short stacking energy: -100.042
Base-Backbone interact. energy: -0.244
local terms energy: -107.006299
where:
bonds (distance) C4'-P energy: -20.531
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -23.722
flat angles P-C4'-P energy: -17.066
tors. eta vs tors. theta energy: -29.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -301.331371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.331371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.331371 (E_RNA)
where:
Base-Base interactions energy: -206.717
where: short stacking energy: -80.965
Base-Backbone interact. energy: -0.489
local terms energy: -94.124646
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -21.373
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -17.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -315.299684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.299684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.299684 (E_RNA)
where:
Base-Base interactions energy: -216.880
where: short stacking energy: -94.156
Base-Backbone interact. energy: -0.216
local terms energy: -98.203694
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -20.921
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -26.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -287.010235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.010235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.010235 (E_RNA)
where:
Base-Base interactions energy: -205.855
where: short stacking energy: -83.097
Base-Backbone interact. energy: -0.137
local terms energy: -81.017879
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -19.234
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -23.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -195.714311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.714311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.714311 (E_RNA)
where:
Base-Base interactions energy: -112.677
where: short stacking energy: -64.626
Base-Backbone interact. energy: -0.793
local terms energy: -82.245227
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -20.201
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -14.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -123.435359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.435359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.435359 (E_RNA)
where:
Base-Base interactions energy: -53.179
where: short stacking energy: -51.517
Base-Backbone interact. energy: -0.060
local terms energy: -70.197046
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -20.686
flat angles P-C4'-P energy: -7.814
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: 8, replica: 3
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -110.012371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.012371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.012371 (E_RNA)
where:
Base-Base interactions energy: -43.311
where: short stacking energy: -43.311
Base-Backbone interact. energy: 0.419
local terms energy: -67.120368
where:
bonds (distance) C4'-P energy: -16.903
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -7.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -107.071553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.071553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.071553 (E_RNA)
where:
Base-Base interactions energy: -41.742
where: short stacking energy: -35.200
Base-Backbone interact. energy: 1.901
local terms energy: -67.230074
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: 0.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -97.997485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.997485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.997485 (E_RNA)
where:
Base-Base interactions energy: -37.840
where: short stacking energy: -37.840
Base-Backbone interact. energy: -0.214
local terms energy: -59.944217
where:
bonds (distance) C4'-P energy: -19.631
bonds (distance) P-C4' energy: -18.757
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -2.357
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: 497
Temperature: 0.900000
Total energy: -317.391498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.391498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.391498 (E_RNA)
where:
Base-Base interactions energy: -216.119
where: short stacking energy: -91.886
Base-Backbone interact. energy: -0.009
local terms energy: -101.264123
where:
bonds (distance) C4'-P energy: -19.509
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -21.738
flat angles P-C4'-P energy: -12.942
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: 2, replica: 2
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -319.500373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.500373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.500373 (E_RNA)
where:
Base-Base interactions energy: -228.040
where: short stacking energy: -96.151
Base-Backbone interact. energy: -0.493
local terms energy: -90.966670
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -17.304
flat angles C4'-P-C4' energy: -21.867
flat angles P-C4'-P energy: -9.271
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: 3, replica: 5
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -322.180606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.180606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.180606 (E_RNA)
where:
Base-Base interactions energy: -217.938
where: short stacking energy: -93.064
Base-Backbone interact. energy: -0.420
local terms energy: -103.822617
where:
bonds (distance) C4'-P energy: -22.791
bonds (distance) P-C4' energy: -19.779
flat angles C4'-P-C4' energy: -22.391
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -26.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -308.001661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.001661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.001661 (E_RNA)
where:
Base-Base interactions energy: -214.809
where: short stacking energy: -96.354
Base-Backbone interact. energy: -0.341
local terms energy: -92.851447
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -26.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -301.120818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.120818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.120818 (E_RNA)
where:
Base-Base interactions energy: -208.368
where: short stacking energy: -80.652
Base-Backbone interact. energy: -0.115
local terms energy: -92.638280
where:
bonds (distance) C4'-P energy: -23.072
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -24.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -180.791430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.791430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.791430 (E_RNA)
where:
Base-Base interactions energy: -103.991
where: short stacking energy: -60.068
Base-Backbone interact. energy: -0.428
local terms energy: -76.372678
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -23.223
flat angles C4'-P-C4' energy: -18.982
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -11.219
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: 497
Temperature: 1.200000
Total energy: -112.564370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.564370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.564370 (E_RNA)
where:
Base-Base interactions energy: -57.455
where: short stacking energy: -57.455
Base-Backbone interact. energy: -0.660
local terms energy: -54.449270
where:
bonds (distance) C4'-P energy: -4.715
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -6.819
tors. eta vs tors. theta energy: -10.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -105.862672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.862672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.862672 (E_RNA)
where:
Base-Base interactions energy: -43.871
where: short stacking energy: -30.918
Base-Backbone interact. energy: -0.026
local terms energy: -61.964838
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -6.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -108.989823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.989823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.989823 (E_RNA)
where:
Base-Base interactions energy: -51.554
where: short stacking energy: -31.216
Base-Backbone interact. energy: -0.025
local terms energy: -57.410352
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -8.634
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -2.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -102.832809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.832809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.832809 (E_RNA)
where:
Base-Base interactions energy: -38.963
where: short stacking energy: -29.359
Base-Backbone interact. energy: -0.630
local terms energy: -63.239512
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -23.448
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -12.447
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: 1, replica: 2
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -329.963800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.963800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.963800 (E_RNA)
where:
Base-Base interactions energy: -229.948
where: short stacking energy: -98.917
Base-Backbone interact. energy: -0.148
local terms energy: -99.868193
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -22.247
flat angles C4'-P-C4' energy: -21.458
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -26.240
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: 9
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -317.505484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.505484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.505484 (E_RNA)
where:
Base-Base interactions energy: -211.775
where: short stacking energy: -92.785
Base-Backbone interact. energy: 0.024
local terms energy: -105.754633
where:
bonds (distance) C4'-P energy: -21.151
bonds (distance) P-C4' energy: -23.092
flat angles C4'-P-C4' energy: -21.030
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -26.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -317.151510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.151510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.151510 (E_RNA)
where:
Base-Base interactions energy: -217.718
where: short stacking energy: -88.566
Base-Backbone interact. energy: -0.696
local terms energy: -98.737678
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -18.966
flat angles C4'-P-C4' energy: -24.632
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -25.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -307.756146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.756146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.756146 (E_RNA)
where:
Base-Base interactions energy: -214.589
where: short stacking energy: -95.827
Base-Backbone interact. energy: -0.229
local terms energy: -92.938274
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -22.546
flat angles P-C4'-P energy: -16.961
tors. eta vs tors. theta energy: -27.815
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: 5, replica: 6
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -280.925063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.925063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.925063 (E_RNA)
where:
Base-Base interactions energy: -189.216
where: short stacking energy: -73.738
Base-Backbone interact. energy: -0.304
local terms energy: -91.404764
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -19.862
flat angles P-C4'-P energy: -4.956
tors. eta vs tors. theta energy: -22.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -212.887632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.887632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.887632 (E_RNA)
where:
Base-Base interactions energy: -134.908
where: short stacking energy: -61.983
Base-Backbone interact. energy: -0.141
local terms energy: -77.838417
where:
bonds (distance) C4'-P energy: -19.952
bonds (distance) P-C4' energy: -20.702
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: -13.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -111.144906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.144906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.144906 (E_RNA)
where:
Base-Base interactions energy: -35.160
where: short stacking energy: -34.352
Base-Backbone interact. energy: 0.355
local terms energy: -76.339760
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -21.527
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -3.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -110.443318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.443318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.443318 (E_RNA)
where:
Base-Base interactions energy: -45.252
where: short stacking energy: -45.252
Base-Backbone interact. energy: -0.008
local terms energy: -65.182812
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -19.981
flat angles P-C4'-P energy: -5.343
tors. eta vs tors. theta energy: -7.896
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: 10
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -156.815424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.815424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.815424 (E_RNA)
where:
Base-Base interactions energy: -84.050
where: short stacking energy: -48.831
Base-Backbone interact. energy: 0.897
local terms energy: -73.661828
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -21.251
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: -6.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -127.492910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.492910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.492910 (E_RNA)
where:
Base-Base interactions energy: -57.927
where: short stacking energy: -31.296
Base-Backbone interact. energy: -0.502
local terms energy: -69.064348
where:
bonds (distance) C4'-P energy: -23.826
bonds (distance) P-C4' energy: -20.189
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -2.373
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: 2
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -325.274293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.274293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.274293 (E_RNA)
where:
Base-Base interactions energy: -225.445
where: short stacking energy: -96.766
Base-Backbone interact. energy: -0.477
local terms energy: -99.352380
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -28.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -325.192016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.192016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.192016 (E_RNA)
where:
Base-Base interactions energy: -225.688
where: short stacking energy: -102.241
Base-Backbone interact. energy: -0.608
local terms energy: -98.896204
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -20.757
flat angles P-C4'-P energy: -14.900
tors. eta vs tors. theta energy: -31.604
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: 3, replica: 7
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -307.625213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.625213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.625213 (E_RNA)
where:
Base-Base interactions energy: -207.092
where: short stacking energy: -84.986
Base-Backbone interact. energy: 1.657
local terms energy: -102.190657
where:
bonds (distance) C4'-P energy: -23.788
bonds (distance) P-C4' energy: -20.992
flat angles C4'-P-C4' energy: -21.925
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -21.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -303.751006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.751006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.751006 (E_RNA)
where:
Base-Base interactions energy: -213.523
where: short stacking energy: -87.102
Base-Backbone interact. energy: -0.037
local terms energy: -90.190915
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -13.824
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: 5, replica: 6
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -279.833887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.833887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.833887 (E_RNA)
where:
Base-Base interactions energy: -187.527
where: short stacking energy: -74.938
Base-Backbone interact. energy: -0.240
local terms energy: -92.066808
where:
bonds (distance) C4'-P energy: -18.752
bonds (distance) P-C4' energy: -18.979
flat angles C4'-P-C4' energy: -21.041
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -26.906
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: 6, replica: 4
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -127.715789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.715789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.715789 (E_RNA)
where:
Base-Base interactions energy: -53.893
where: short stacking energy: -41.802
Base-Backbone interact. energy: -0.281
local terms energy: -73.541278
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -18.950
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -13.938
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: 1
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -209.424049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.424049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.424049 (E_RNA)
where:
Base-Base interactions energy: -126.438
where: short stacking energy: -58.758
Base-Backbone interact. energy: 0.005
local terms energy: -82.991287
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -131.216998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.216998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.216998 (E_RNA)
where:
Base-Base interactions energy: -62.269
where: short stacking energy: -33.400
Base-Backbone interact. energy: -1.167
local terms energy: -67.781240
where:
bonds (distance) C4'-P energy: -21.382
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -6.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -112.421313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.421313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.421313 (E_RNA)
where:
Base-Base interactions energy: -39.448
where: short stacking energy: -35.639
Base-Backbone interact. energy: -0.428
local terms energy: -72.545355
where:
bonds (distance) C4'-P energy: -21.793
bonds (distance) P-C4' energy: -19.769
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -3.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -95.562280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.562280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.562280 (E_RNA)
where:
Base-Base interactions energy: -37.770
where: short stacking energy: -28.771
Base-Backbone interact. energy: -1.235
local terms energy: -56.557530
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: 0.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -329.659226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.659226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.659226 (E_RNA)
where:
Base-Base interactions energy: -231.595
where: short stacking energy: -100.470
Base-Backbone interact. energy: -0.054
local terms energy: -98.009712
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -21.312
flat angles P-C4'-P energy: -13.730
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: 9
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -322.462174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.462174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.462174 (E_RNA)
where:
Base-Base interactions energy: -222.828
where: short stacking energy: -93.994
Base-Backbone interact. energy: -0.207
local terms energy: -99.427050
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -20.231
flat angles C4'-P-C4' energy: -21.149
flat angles P-C4'-P energy: -18.993
tors. eta vs tors. theta energy: -24.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -311.848878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.848878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.848878 (E_RNA)
where:
Base-Base interactions energy: -214.283
where: short stacking energy: -91.169
Base-Backbone interact. energy: -0.124
local terms energy: -97.441698
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -20.433
flat angles P-C4'-P energy: -13.976
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: 4, replica: 7
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -297.036642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.036642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.036642 (E_RNA)
where:
Base-Base interactions energy: -202.460
where: short stacking energy: -79.476
Base-Backbone interact. energy: -0.121
local terms energy: -94.454990
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -19.193
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -23.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -285.797041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.797041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.797041 (E_RNA)
where:
Base-Base interactions energy: -209.474
where: short stacking energy: -78.741
Base-Backbone interact. energy: -0.244
local terms energy: -76.079572
where:
bonds (distance) C4'-P energy: -18.840
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -14.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -125.312011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.312011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.312011 (E_RNA)
where:
Base-Base interactions energy: -46.700
where: short stacking energy: -46.700
Base-Backbone interact. energy: -0.065
local terms energy: -78.546964
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -7.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -196.124177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.124177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.124177 (E_RNA)
where:
Base-Base interactions energy: -121.319
where: short stacking energy: -68.041
Base-Backbone interact. energy: -0.679
local terms energy: -74.126233
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -15.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -125.925622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.925622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.925622 (E_RNA)
where:
Base-Base interactions energy: -56.027
where: short stacking energy: -25.653
Base-Backbone interact. energy: -0.406
local terms energy: -69.492776
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -23.484
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -16.049
tors. eta vs tors. theta energy: -3.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -129.675375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.675375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.675375 (E_RNA)
where:
Base-Base interactions energy: -59.410
where: short stacking energy: -38.569
Base-Backbone interact. energy: -0.226
local terms energy: -70.038997
where:
bonds (distance) C4'-P energy: -21.577
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -8.715
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: 10, replica: 8
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -103.848068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.848068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.848068 (E_RNA)
where:
Base-Base interactions energy: -36.438
where: short stacking energy: -36.438
Base-Backbone interact. energy: -0.041
local terms energy: -67.368975
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -18.178
tors. eta vs tors. theta energy: -1.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -337.180994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.180994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.180994 (E_RNA)
where:
Base-Base interactions energy: -224.682
where: short stacking energy: -99.970
Base-Backbone interact. energy: -0.142
local terms energy: -112.356363
where:
bonds (distance) C4'-P energy: -23.838
bonds (distance) P-C4' energy: -23.812
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -32.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -322.482534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.482534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.482534 (E_RNA)
where:
Base-Base interactions energy: -221.257
where: short stacking energy: -95.075
Base-Backbone interact. energy: -1.057
local terms energy: -100.168489
where:
bonds (distance) C4'-P energy: -18.684
bonds (distance) P-C4' energy: -21.080
flat angles C4'-P-C4' energy: -22.952
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -25.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -316.936671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.936671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.936671 (E_RNA)
where:
Base-Base interactions energy: -211.913
where: short stacking energy: -86.008
Base-Backbone interact. energy: 1.636
local terms energy: -106.659592
where:
bonds (distance) C4'-P energy: -24.645
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -23.927
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -25.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -306.938529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.938529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.938529 (E_RNA)
where:
Base-Base interactions energy: -218.317
where: short stacking energy: -78.880
Base-Backbone interact. energy: -0.138
local terms energy: -88.483082
where:
bonds (distance) C4'-P energy: -10.375
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -22.003
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: 6
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -270.915741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.915741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.915741 (E_RNA)
where:
Base-Base interactions energy: -180.141
where: short stacking energy: -74.005
Base-Backbone interact. energy: -0.074
local terms energy: -90.700407
where:
bonds (distance) C4'-P energy: -19.752
bonds (distance) P-C4' energy: -20.914
flat angles C4'-P-C4' energy: -18.950
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -18.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -208.032459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.032459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.032459 (E_RNA)
where:
Base-Base interactions energy: -123.864
where: short stacking energy: -66.864
Base-Backbone interact. energy: -0.172
local terms energy: -83.996014
where:
bonds (distance) C4'-P energy: -19.723
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -23.513
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -12.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -151.231762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.231762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.231762 (E_RNA)
where:
Base-Base interactions energy: -64.500
where: short stacking energy: -49.902
Base-Backbone interact. energy: -0.232
local terms energy: -86.499002
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -18.484
flat angles C4'-P-C4' energy: -21.180
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -12.502
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: 501
Temperature: 1.250000
Total energy: -103.367699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.367699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.367699 (E_RNA)
where:
Base-Base interactions energy: -33.875
where: short stacking energy: -33.875
Base-Backbone interact. energy: -0.166
local terms energy: -69.326980
where:
bonds (distance) C4'-P energy: -23.035
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -3.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -102.205492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.205492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.205492 (E_RNA)
where:
Base-Base interactions energy: -39.641
where: short stacking energy: -26.075
Base-Backbone interact. energy: -0.224
local terms energy: -62.339990
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -6.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -103.018637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.018637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.018637 (E_RNA)
where:
Base-Base interactions energy: -37.633
where: short stacking energy: -32.055
Base-Backbone interact. energy: -0.197
local terms energy: -65.188242
where:
bonds (distance) C4'-P energy: -18.763
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -1.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 5 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 22993584
moves confirmed later: 27057262
all moves confirmed: 50050846
percent of confirmed moves: 6.256356
current total energy: -303.764134
recalc. total energy: -303.764134
replica 2 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 15344954
moves confirmed later: 17048644
all moves confirmed: 32393598
percent of confirmed moves: 4.049200
current total energy: -306.751302
recalc. total energy: -306.751302
replica 9 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 15350792
moves confirmed later: 17075825
all moves confirmed: 32426617
percent of confirmed moves: 4.053327
current total energy: -288.303483
recalc. total energy: -288.303483
replica 7 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 14428053
moves confirmed later: 15832425
all moves confirmed: 30260478
percent of confirmed moves: 3.782560
current total energy: -245.482368
recalc. total energy: -245.482368
replica 6 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 21283926
moves confirmed later: 24888800
all moves confirmed: 46172726
percent of confirmed moves: 5.771591
current total energy: -224.305194
recalc. total energy: -224.305194
replica 1 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 27779768
moves confirmed later: 33266819
all moves confirmed: 61046587
percent of confirmed moves: 7.630823
current total energy: -145.799180
recalc. total energy: -145.799180
replica 3 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 27473058
moves confirmed later: 32959771
all moves confirmed: 60432829
percent of confirmed moves: 7.554104
current total energy: -54.219792
recalc. total energy: -54.219792
replica 4 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 27704909
moves confirmed later: 33242483
all moves confirmed: 60947392
percent of confirmed moves: 7.618424
current total energy: -103.790150
recalc. total energy: -103.790150
replica 8 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 33794946
moves confirmed later: 41155478
all moves confirmed: 74950424
percent of confirmed moves: 9.368803
current total energy: -47.119183
recalc. total energy: -47.119183
replica 10 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 26840204
moves confirmed later: 31965684
all moves confirmed: 58805888
percent of confirmed moves: 7.350736
current total energy: -48.846864
recalc. total energy: -48.846864
out arg RESULTS//1/MALAT1_29-mer-ff0293f3_01
Time of doing 8000000 iterations: 2794.446 seconds