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/2KX8-c5ddbc40/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KX8-c5ddbc40/inputs/seq.fa: 1
curr_seq: _GGGAAAUGAGGCGCUGCAUGUGGCAGUCUGCCUUUCUUUCCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAAAUGAGGCGCUGCAUGUGGCAGUCUGCCUUUCUUUCCC
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 42 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: 215
n_atoms_counter: 215
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 42.000000 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/2KX8-c5ddbc40/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KX8-c5ddbc40/inputs/seq.fa: 1
curr_seq: _GGGAAAUGAGGCGCUGCAUGUGGCAGUCUGCCUUUCUUUCCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAAAUGAGGCGCUGCAUGUGGCAGUCUGCCUUUCUUUCCC
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 42 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: 215
n_atoms_counter: 215
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 42.000000 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/2KX8-c5ddbc40/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KX8-c5ddbc40/inputs/seq.fa: 1
curr_seq: _GGGAAAUGAGGCGCUGCAUGUGGCAGUCUGCCUUUCUUUCCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAAAUGAGGCGCUGCAUGUGGCAGUCUGCCUUUCUUUCCC
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 42 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: 215
n_atoms_counter: 215
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 42.000000 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/2KX8-c5ddbc40/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KX8-c5ddbc40/inputs/seq.fa: 1
curr_seq: _GGGAAAUGAGGCGCUGCAUGUGGCAGUCUGCCUUUCUUUCCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAAAUGAGGCGCUGCAUGUGGCAGUCUGCCUUUCUUUCCC
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 42 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: 215
n_atoms_counter: 215
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 42.000000 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/2KX8-c5ddbc40/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KX8-c5ddbc40/inputs/seq.fa: 1
curr_seq: _GGGAAAUGAGGCGCUGCAUGUGGCAGUCUGCCUUUCUUUCCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAAAUGAGGCGCUGCAUGUGGCAGUCUGCCUUUCUUUCCC
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 42 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: 215
n_atoms_counter: 215
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 42.000000 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/2KX8-c5ddbc40/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KX8-c5ddbc40/inputs/seq.fa: 1
curr_seq: _GGGAAAUGAGGCGCUGCAUGUGGCAGUCUGCCUUUCUUUCCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAAAUGAGGCGCUGCAUGUGGCAGUCUGCCUUUCUUUCCC
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 42 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: 215
n_atoms_counter: 215
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 42.000000 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/2KX8-c5ddbc40/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KX8-c5ddbc40/inputs/seq.fa: 1
curr_seq: _GGGAAAUGAGGCGCUGCAUGUGGCAGUCUGCCUUUCUUUCCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAAAUGAGGCGCUGCAUGUGGCAGUCUGCCUUUCUUUCCC
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 42 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: 215
n_atoms_counter: 215
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 42.000000 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/2KX8-c5ddbc40/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KX8-c5ddbc40/inputs/seq.fa: 1
curr_seq: _GGGAAAUGAGGCGCUGCAUGUGGCAGUCUGCCUUUCUUUCCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAAAUGAGGCGCUGCAUGUGGCAGUCUGCCUUUCUUUCCC
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 42 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: 215
n_atoms_counter: 215
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 42.000000 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/2KX8-c5ddbc40/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KX8-c5ddbc40/inputs/seq.fa: 1
curr_seq: _GGGAAAUGAGGCGCUGCAUGUGGCAGUCUGCCUUUCUUUCCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAAAUGAGGCGCUGCAUGUGGCAGUCUGCCUUUCUUUCCC
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 42 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: 215
n_atoms_counter: 215
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 42.000000 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/2KX8-c5ddbc40/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KX8-c5ddbc40/inputs/seq.fa: 1
curr_seq: _GGGAAAUGAGGCGCUGCAUGUGGCAGUCUGCCUUUCUUUCCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAAAUGAGGCGCUGCAUGUGGCAGUCUGCCUUUCUUUCCC
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 42 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: 215
n_atoms_counter: 215
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 42.000000 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: -164.376795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.376795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.376795 (E_RNA)
where:
Base-Base interactions energy: -0.551
where: short stacking energy: -0.551
Base-Backbone interact. energy: -0.000
local terms energy: -163.825570
where:
bonds (distance) C4'-P energy: -40.806
bonds (distance) P-C4' energy: -38.470
flat angles C4'-P-C4' energy: -30.837
flat angles P-C4'-P energy: -35.275
tors. eta vs tors. theta energy: -18.437
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -164.376795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.376795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.376795 (E_RNA)
where:
Base-Base interactions energy: -0.551
where: short stacking energy: -0.551
Base-Backbone interact. energy: -0.000
local terms energy: -163.825570
where:
bonds (distance) C4'-P energy: -40.806
bonds (distance) P-C4' energy: -38.470
flat angles C4'-P-C4' energy: -30.837
flat angles P-C4'-P energy: -35.275
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -164.376795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.376795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.376795 (E_RNA)
where:
Base-Base interactions energy: -0.551
where: short stacking energy: -0.551
Base-Backbone interact. energy: -0.000
local terms energy: -163.825570
where:
bonds (distance) C4'-P energy: -40.806
bonds (distance) P-C4' energy: -38.470
flat angles C4'-P-C4' energy: -30.837
flat angles P-C4'-P energy: -35.275
tors. eta vs tors. theta energy: -18.437
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -164.376795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.376795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.376795 (E_RNA)
where:
Base-Base interactions energy: -0.551
where: short stacking energy: -0.551
Base-Backbone interact. energy: -0.000
local terms energy: -163.825570
where:
bonds (distance) C4'-P energy: -40.806
bonds (distance) P-C4' energy: -38.470
flat angles C4'-P-C4' energy: -30.837
flat angles P-C4'-P energy: -35.275
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -164.376795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.376795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.376795 (E_RNA)
where:
Base-Base interactions energy: -0.551
where: short stacking energy: -0.551
Base-Backbone interact. energy: -0.000
local terms energy: -163.825570
where:
bonds (distance) C4'-P energy: -40.806
bonds (distance) P-C4' energy: -38.470
flat angles C4'-P-C4' energy: -30.837
flat angles P-C4'-P energy: -35.275
tors. eta vs tors. theta energy: -18.437
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: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -164.376795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.376795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.376795 (E_RNA)
where:
Base-Base interactions energy: -0.551
where: short stacking energy: -0.551
Base-Backbone interact. energy: -0.000
local terms energy: -163.825570
where:
bonds (distance) C4'-P energy: -40.806
bonds (distance) P-C4' energy: -38.470
flat angles C4'-P-C4' energy: -30.837
flat angles P-C4'-P energy: -35.275
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -164.376795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.376795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.376795 (E_RNA)
where:
Base-Base interactions energy: -0.551
where: short stacking energy: -0.551
Base-Backbone interact. energy: -0.000
local terms energy: -163.825570
where:
bonds (distance) C4'-P energy: -40.806
bonds (distance) P-C4' energy: -38.470
flat angles C4'-P-C4' energy: -30.837
flat angles P-C4'-P energy: -35.275
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -164.376795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.376795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.376795 (E_RNA)
where:
Base-Base interactions energy: -0.551
where: short stacking energy: -0.551
Base-Backbone interact. energy: -0.000
local terms energy: -163.825570
where:
bonds (distance) C4'-P energy: -40.806
bonds (distance) P-C4' energy: -38.470
flat angles C4'-P-C4' energy: -30.837
flat angles P-C4'-P energy: -35.275
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -164.376795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.376795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.376795 (E_RNA)
where:
Base-Base interactions energy: -0.551
where: short stacking energy: -0.551
Base-Backbone interact. energy: -0.000
local terms energy: -163.825570
where:
bonds (distance) C4'-P energy: -40.806
bonds (distance) P-C4' energy: -38.470
flat angles C4'-P-C4' energy: -30.837
flat angles P-C4'-P energy: -35.275
tors. eta vs tors. theta energy: -18.437
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: 1
Temperature: 1.350000
Total energy: -164.376795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.376795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.376795 (E_RNA)
where:
Base-Base interactions energy: -0.551
where: short stacking energy: -0.551
Base-Backbone interact. energy: -0.000
local terms energy: -163.825570
where:
bonds (distance) C4'-P energy: -40.806
bonds (distance) P-C4' energy: -38.470
flat angles C4'-P-C4' energy: -30.837
flat angles P-C4'-P energy: -35.275
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -251.438624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.438624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.438624 (E_RNA)
where:
Base-Base interactions energy: -117.631
where: short stacking energy: -112.581
Base-Backbone interact. energy: -0.106
local terms energy: -133.701610
where:
bonds (distance) C4'-P energy: -25.967
bonds (distance) P-C4' energy: -29.715
flat angles C4'-P-C4' energy: -31.110
flat angles P-C4'-P energy: -20.319
tors. eta vs tors. theta energy: -26.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -231.381947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.381947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.381947 (E_RNA)
where:
Base-Base interactions energy: -107.515
where: short stacking energy: -100.426
Base-Backbone interact. energy: -0.292
local terms energy: -123.574594
where:
bonds (distance) C4'-P energy: -29.019
bonds (distance) P-C4' energy: -28.832
flat angles C4'-P-C4' energy: -23.501
flat angles P-C4'-P energy: -19.046
tors. eta vs tors. theta energy: -23.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -235.227229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.227229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.227229 (E_RNA)
where:
Base-Base interactions energy: -109.707
where: short stacking energy: -88.063
Base-Backbone interact. energy: -0.830
local terms energy: -124.690294
where:
bonds (distance) C4'-P energy: -29.771
bonds (distance) P-C4' energy: -28.178
flat angles C4'-P-C4' energy: -25.290
flat angles P-C4'-P energy: -21.417
tors. eta vs tors. theta energy: -20.035
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -214.399117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.399117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.399117 (E_RNA)
where:
Base-Base interactions energy: -100.031
where: short stacking energy: -100.031
Base-Backbone interact. energy: -0.012
local terms energy: -114.355399
where:
bonds (distance) C4'-P energy: -22.702
bonds (distance) P-C4' energy: -27.847
flat angles C4'-P-C4' energy: -31.868
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -21.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -192.916474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.916474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.916474 (E_RNA)
where:
Base-Base interactions energy: -75.185
where: short stacking energy: -75.185
Base-Backbone interact. energy: -0.092
local terms energy: -117.639624
where:
bonds (distance) C4'-P energy: -24.688
bonds (distance) P-C4' energy: -32.410
flat angles C4'-P-C4' energy: -26.394
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -20.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -173.567585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.567585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.567585 (E_RNA)
where:
Base-Base interactions energy: -70.362
where: short stacking energy: -64.158
Base-Backbone interact. energy: -0.082
local terms energy: -103.123509
where:
bonds (distance) C4'-P energy: -29.104
bonds (distance) P-C4' energy: -21.842
flat angles C4'-P-C4' energy: -22.730
flat angles P-C4'-P energy: -17.900
tors. eta vs tors. theta energy: -11.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -184.366993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.366993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.366993 (E_RNA)
where:
Base-Base interactions energy: -78.443
where: short stacking energy: -59.891
Base-Backbone interact. energy: -1.229
local terms energy: -104.695045
where:
bonds (distance) C4'-P energy: -30.950
bonds (distance) P-C4' energy: -28.276
flat angles C4'-P-C4' energy: -22.699
flat angles P-C4'-P energy: -18.327
tors. eta vs tors. theta energy: -4.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -167.675329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.675329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.675329 (E_RNA)
where:
Base-Base interactions energy: -8.543
where: short stacking energy: -8.543
Base-Backbone interact. energy: -0.000
local terms energy: -159.132040
where:
bonds (distance) C4'-P energy: -40.119
bonds (distance) P-C4' energy: -36.435
flat angles C4'-P-C4' energy: -30.046
flat angles P-C4'-P energy: -35.014
tors. eta vs tors. theta energy: -17.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -172.716598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.716598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.716598 (E_RNA)
where:
Base-Base interactions energy: -25.130
where: short stacking energy: -25.130
Base-Backbone interact. energy: -0.000
local terms energy: -147.586127
where:
bonds (distance) C4'-P energy: -35.761
bonds (distance) P-C4' energy: -33.352
flat angles C4'-P-C4' energy: -30.600
flat angles P-C4'-P energy: -32.752
tors. eta vs tors. theta energy: -15.121
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -168.152450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.152450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.152450 (E_RNA)
where:
Base-Base interactions energy: -9.427
where: short stacking energy: -9.427
Base-Backbone interact. energy: -0.000
local terms energy: -158.725797
where:
bonds (distance) C4'-P energy: -39.763
bonds (distance) P-C4' energy: -36.435
flat angles C4'-P-C4' energy: -30.046
flat angles P-C4'-P energy: -35.014
tors. eta vs tors. theta energy: -17.468
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: 3
Temperature: 0.900000
Total energy: -257.119554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.119554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.119554 (E_RNA)
where:
Base-Base interactions energy: -122.221
where: short stacking energy: -108.480
Base-Backbone interact. energy: -1.395
local terms energy: -133.503560
where:
bonds (distance) C4'-P energy: -31.864
bonds (distance) P-C4' energy: -28.515
flat angles C4'-P-C4' energy: -29.443
flat angles P-C4'-P energy: -15.950
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: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -342.803709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.803709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.803709 (E_RNA)
where:
Base-Base interactions energy: -215.852
where: short stacking energy: -118.563
Base-Backbone interact. energy: -0.532
local terms energy: -126.420360
where:
bonds (distance) C4'-P energy: -22.599
bonds (distance) P-C4' energy: -28.536
flat angles C4'-P-C4' energy: -31.053
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -30.288
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: 3
Temperature: 1.000000
Total energy: -258.003329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.003329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.003329 (E_RNA)
where:
Base-Base interactions energy: -147.102
where: short stacking energy: -76.362
Base-Backbone interact. energy: -0.570
local terms energy: -110.331695
where:
bonds (distance) C4'-P energy: -26.364
bonds (distance) P-C4' energy: -27.786
flat angles C4'-P-C4' energy: -30.688
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -12.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -212.796628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.796628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.796628 (E_RNA)
where:
Base-Base interactions energy: -89.329
where: short stacking energy: -71.180
Base-Backbone interact. energy: -0.099
local terms energy: -123.368787
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -31.820
flat angles C4'-P-C4' energy: -28.908
flat angles P-C4'-P energy: -19.644
tors. eta vs tors. theta energy: -21.272
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: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -245.308935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.308935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.308935 (E_RNA)
where:
Base-Base interactions energy: -137.595
where: short stacking energy: -77.273
Base-Backbone interact. energy: -0.351
local terms energy: -107.362666
where:
bonds (distance) C4'-P energy: -25.846
bonds (distance) P-C4' energy: -24.324
flat angles C4'-P-C4' energy: -27.736
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: -14.331
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: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -177.633914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.633914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.633914 (E_RNA)
where:
Base-Base interactions energy: -79.285
where: short stacking energy: -69.124
Base-Backbone interact. energy: -0.272
local terms energy: -98.077033
where:
bonds (distance) C4'-P energy: -21.678
bonds (distance) P-C4' energy: -26.865
flat angles C4'-P-C4' energy: -22.998
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -12.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -182.452667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.452667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.452667 (E_RNA)
where:
Base-Base interactions energy: -86.580
where: short stacking energy: -71.156
Base-Backbone interact. energy: -0.418
local terms energy: -95.455168
where:
bonds (distance) C4'-P energy: -26.118
bonds (distance) P-C4' energy: -31.779
flat angles C4'-P-C4' energy: -22.038
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -3.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -155.487303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.487303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.487303 (E_RNA)
where:
Base-Base interactions energy: -67.126
where: short stacking energy: -44.461
Base-Backbone interact. energy: -0.247
local terms energy: -88.113663
where:
bonds (distance) C4'-P energy: -29.250
bonds (distance) P-C4' energy: -24.104
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -6.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -141.104150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.104150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.104150 (E_RNA)
where:
Base-Base interactions energy: -57.896
where: short stacking energy: -43.956
Base-Backbone interact. energy: -0.532
local terms energy: -82.676588
where:
bonds (distance) C4'-P energy: -25.248
bonds (distance) P-C4' energy: -28.856
flat angles C4'-P-C4' energy: -10.730
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -5.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -122.006256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.006256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.006256 (E_RNA)
where:
Base-Base interactions energy: -33.676
where: short stacking energy: -29.403
Base-Backbone interact. energy: -0.700
local terms energy: -87.631202
where:
bonds (distance) C4'-P energy: -28.027
bonds (distance) P-C4' energy: -26.256
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -2.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -354.219552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.219552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.219552 (E_RNA)
where:
Base-Base interactions energy: -229.361
where: short stacking energy: -123.932
Base-Backbone interact. energy: -0.997
local terms energy: -123.861170
where:
bonds (distance) C4'-P energy: -27.178
bonds (distance) P-C4' energy: -27.780
flat angles C4'-P-C4' energy: -26.576
flat angles P-C4'-P energy: -14.669
tors. eta vs tors. theta energy: -27.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -266.500651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.500651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.500651 (E_RNA)
where:
Base-Base interactions energy: -136.073
where: short stacking energy: -101.002
Base-Backbone interact. energy: -0.410
local terms energy: -130.017155
where:
bonds (distance) C4'-P energy: -30.126
bonds (distance) P-C4' energy: -27.527
flat angles C4'-P-C4' energy: -27.217
flat angles P-C4'-P energy: -20.876
tors. eta vs tors. theta energy: -24.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -296.221216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.221216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.221216 (E_RNA)
where:
Base-Base interactions energy: -166.493
where: short stacking energy: -95.264
Base-Backbone interact. energy: 0.278
local terms energy: -130.006145
where:
bonds (distance) C4'-P energy: -26.996
bonds (distance) P-C4' energy: -32.106
flat angles C4'-P-C4' energy: -29.713
flat angles P-C4'-P energy: -18.919
tors. eta vs tors. theta energy: -22.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -222.698318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.698318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.698318 (E_RNA)
where:
Base-Base interactions energy: -114.821
where: short stacking energy: -89.610
Base-Backbone interact. energy: 2.321
local terms energy: -110.198389
where:
bonds (distance) C4'-P energy: -27.907
bonds (distance) P-C4' energy: -27.743
flat angles C4'-P-C4' energy: -32.636
flat angles P-C4'-P energy: -4.385
tors. eta vs tors. theta energy: -17.528
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: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -265.494640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.494640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.494640 (E_RNA)
where:
Base-Base interactions energy: -157.302
where: short stacking energy: -87.166
Base-Backbone interact. energy: 0.069
local terms energy: -108.261086
where:
bonds (distance) C4'-P energy: -26.604
bonds (distance) P-C4' energy: -23.492
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -15.211
tors. eta vs tors. theta energy: -18.869
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: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -252.275186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.275186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.275186 (E_RNA)
where:
Base-Base interactions energy: -139.635
where: short stacking energy: -80.187
Base-Backbone interact. energy: -0.412
local terms energy: -112.228213
where:
bonds (distance) C4'-P energy: -24.234
bonds (distance) P-C4' energy: -27.314
flat angles C4'-P-C4' energy: -21.379
flat angles P-C4'-P energy: -19.839
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: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -196.580216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.580216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.580216 (E_RNA)
where:
Base-Base interactions energy: -95.823
where: short stacking energy: -66.513
Base-Backbone interact. energy: -0.210
local terms energy: -100.547259
where:
bonds (distance) C4'-P energy: -25.468
bonds (distance) P-C4' energy: -28.723
flat angles C4'-P-C4' energy: -26.941
flat angles P-C4'-P energy: -16.238
tors. eta vs tors. theta energy: -3.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -148.662997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.662997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.662997 (E_RNA)
where:
Base-Base interactions energy: -54.793
where: short stacking energy: -53.250
Base-Backbone interact. energy: 1.480
local terms energy: -95.350704
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -25.683
flat angles C4'-P-C4' energy: -24.442
flat angles P-C4'-P energy: -14.840
tors. eta vs tors. theta energy: -9.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -156.115174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.115174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.115174 (E_RNA)
where:
Base-Base interactions energy: -70.596
where: short stacking energy: -57.954
Base-Backbone interact. energy: -0.489
local terms energy: -85.029636
where:
bonds (distance) C4'-P energy: -25.808
bonds (distance) P-C4' energy: -24.931
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: -11.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -151.610038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.610038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.610038 (E_RNA)
where:
Base-Base interactions energy: -66.331
where: short stacking energy: -64.242
Base-Backbone interact. energy: -0.179
local terms energy: -85.100101
where:
bonds (distance) C4'-P energy: -21.814
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -20.105
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -5.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -384.294680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.294680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.294680 (E_RNA)
where:
Base-Base interactions energy: -246.129
where: short stacking energy: -123.606
Base-Backbone interact. energy: -0.025
local terms energy: -138.140650
where:
bonds (distance) C4'-P energy: -32.184
bonds (distance) P-C4' energy: -27.045
flat angles C4'-P-C4' energy: -33.715
flat angles P-C4'-P energy: -20.185
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: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -372.591496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.591496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.591496 (E_RNA)
where:
Base-Base interactions energy: -237.714
where: short stacking energy: -131.081
Base-Backbone interact. energy: -0.432
local terms energy: -134.445519
where:
bonds (distance) C4'-P energy: -24.474
bonds (distance) P-C4' energy: -29.547
flat angles C4'-P-C4' energy: -31.549
flat angles P-C4'-P energy: -16.355
tors. eta vs tors. theta energy: -32.520
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: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -236.266706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.266706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.266706 (E_RNA)
where:
Base-Base interactions energy: -117.291
where: short stacking energy: -88.792
Base-Backbone interact. energy: -0.175
local terms energy: -118.800023
where:
bonds (distance) C4'-P energy: -26.798
bonds (distance) P-C4' energy: -31.359
flat angles C4'-P-C4' energy: -24.592
flat angles P-C4'-P energy: -18.469
tors. eta vs tors. theta energy: -17.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -308.131036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.131036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.131036 (E_RNA)
where:
Base-Base interactions energy: -200.540
where: short stacking energy: -85.665
Base-Backbone interact. energy: -0.061
local terms energy: -107.529521
where:
bonds (distance) C4'-P energy: -27.165
bonds (distance) P-C4' energy: -24.567
flat angles C4'-P-C4' energy: -23.488
flat angles P-C4'-P energy: -19.211
tors. eta vs tors. theta energy: -13.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -194.642113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.642113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.642113 (E_RNA)
where:
Base-Base interactions energy: -110.812
where: short stacking energy: -62.908
Base-Backbone interact. energy: -1.024
local terms energy: -82.806766
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -27.538
flat angles C4'-P-C4' energy: -19.920
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -7.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -264.580585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.580585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.580585 (E_RNA)
where:
Base-Base interactions energy: -146.966
where: short stacking energy: -85.529
Base-Backbone interact. energy: -0.136
local terms energy: -117.478714
where:
bonds (distance) C4'-P energy: -20.461
bonds (distance) P-C4' energy: -28.119
flat angles C4'-P-C4' energy: -30.669
flat angles P-C4'-P energy: -19.348
tors. eta vs tors. theta energy: -18.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -215.838496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.838496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.838496 (E_RNA)
where:
Base-Base interactions energy: -109.549
where: short stacking energy: -63.449
Base-Backbone interact. energy: -0.148
local terms energy: -106.140757
where:
bonds (distance) C4'-P energy: -25.361
bonds (distance) P-C4' energy: -26.344
flat angles C4'-P-C4' energy: -27.560
flat angles P-C4'-P energy: -18.185
tors. eta vs tors. theta energy: -8.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -161.959676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.959676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.959676 (E_RNA)
where:
Base-Base interactions energy: -61.291
where: short stacking energy: -55.960
Base-Backbone interact. energy: -0.310
local terms energy: -100.358700
where:
bonds (distance) C4'-P energy: -23.610
bonds (distance) P-C4' energy: -26.398
flat angles C4'-P-C4' energy: -28.848
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -7.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -139.466231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.466231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.466231 (E_RNA)
where:
Base-Base interactions energy: -64.429
where: short stacking energy: -52.640
Base-Backbone interact. energy: -0.917
local terms energy: -74.120342
where:
bonds (distance) C4'-P energy: -24.745
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: 0.571
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: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -125.715005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.715005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.715005 (E_RNA)
where:
Base-Base interactions energy: -44.282
where: short stacking energy: -41.832
Base-Backbone interact. energy: 0.226
local terms energy: -81.658592
where:
bonds (distance) C4'-P energy: -25.684
bonds (distance) P-C4' energy: -26.908
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: 5.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -380.178603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.178603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.178603 (E_RNA)
where:
Base-Base interactions energy: -246.355
where: short stacking energy: -133.717
Base-Backbone interact. energy: -0.415
local terms energy: -133.408680
where:
bonds (distance) C4'-P energy: -26.804
bonds (distance) P-C4' energy: -29.286
flat angles C4'-P-C4' energy: -29.744
flat angles P-C4'-P energy: -21.537
tors. eta vs tors. theta energy: -26.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -337.310246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.310246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.310246 (E_RNA)
where:
Base-Base interactions energy: -209.325
where: short stacking energy: -110.209
Base-Backbone interact. energy: 1.102
local terms energy: -129.087501
where:
bonds (distance) C4'-P energy: -29.413
bonds (distance) P-C4' energy: -31.093
flat angles C4'-P-C4' energy: -28.350
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: -23.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -352.590273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.590273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.590273 (E_RNA)
where:
Base-Base interactions energy: -237.244
where: short stacking energy: -104.722
Base-Backbone interact. energy: -0.425
local terms energy: -114.920602
where:
bonds (distance) C4'-P energy: -26.506
bonds (distance) P-C4' energy: -22.218
flat angles C4'-P-C4' energy: -20.982
flat angles P-C4'-P energy: -19.073
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: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -244.238600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.238600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.238600 (E_RNA)
where:
Base-Base interactions energy: -126.715
where: short stacking energy: -102.176
Base-Backbone interact. energy: -0.296
local terms energy: -117.227534
where:
bonds (distance) C4'-P energy: -27.897
bonds (distance) P-C4' energy: -24.734
flat angles C4'-P-C4' energy: -31.490
flat angles P-C4'-P energy: -18.087
tors. eta vs tors. theta energy: -15.019
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: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -308.998283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.998283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.998283 (E_RNA)
where:
Base-Base interactions energy: -192.307
where: short stacking energy: -102.852
Base-Backbone interact. energy: -0.985
local terms energy: -115.706254
where:
bonds (distance) C4'-P energy: -29.062
bonds (distance) P-C4' energy: -17.334
flat angles C4'-P-C4' energy: -28.721
flat angles P-C4'-P energy: -16.845
tors. eta vs tors. theta energy: -23.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -173.235864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.235864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.235864 (E_RNA)
where:
Base-Base interactions energy: -75.804
where: short stacking energy: -72.402
Base-Backbone interact. energy: -2.215
local terms energy: -95.216510
where:
bonds (distance) C4'-P energy: -26.815
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -25.958
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -10.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -201.477703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.477703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.477703 (E_RNA)
where:
Base-Base interactions energy: -104.510
where: short stacking energy: -57.355
Base-Backbone interact. energy: -0.859
local terms energy: -96.108193
where:
bonds (distance) C4'-P energy: -26.826
bonds (distance) P-C4' energy: -25.037
flat angles C4'-P-C4' energy: -25.377
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -156.329636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.329636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.329636 (E_RNA)
where:
Base-Base interactions energy: -65.463
where: short stacking energy: -42.485
Base-Backbone interact. energy: -0.606
local terms energy: -90.261075
where:
bonds (distance) C4'-P energy: -26.081
bonds (distance) P-C4' energy: -26.818
flat angles C4'-P-C4' energy: -24.200
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -0.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -147.536186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.536186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.536186 (E_RNA)
where:
Base-Base interactions energy: -59.967
where: short stacking energy: -54.254
Base-Backbone interact. energy: 1.107
local terms energy: -88.676527
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -25.067
flat angles C4'-P-C4' energy: -20.785
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: -3.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -184.282149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.282149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.282149 (E_RNA)
where:
Base-Base interactions energy: -94.733
where: short stacking energy: -59.467
Base-Backbone interact. energy: 0.256
local terms energy: -89.805933
where:
bonds (distance) C4'-P energy: -20.563
bonds (distance) P-C4' energy: -25.235
flat angles C4'-P-C4' energy: -23.939
flat angles P-C4'-P energy: -15.799
tors. eta vs tors. theta energy: -4.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -377.254963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.254963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.254963 (E_RNA)
where:
Base-Base interactions energy: -244.707
where: short stacking energy: -118.803
Base-Backbone interact. energy: -1.482
local terms energy: -131.066415
where:
bonds (distance) C4'-P energy: -29.617
bonds (distance) P-C4' energy: -33.654
flat angles C4'-P-C4' energy: -24.305
flat angles P-C4'-P energy: -19.560
tors. eta vs tors. theta energy: -23.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -381.399752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.399752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.399752 (E_RNA)
where:
Base-Base interactions energy: -249.572
where: short stacking energy: -119.832
Base-Backbone interact. energy: -0.315
local terms energy: -131.512428
where:
bonds (distance) C4'-P energy: -30.672
bonds (distance) P-C4' energy: -30.461
flat angles C4'-P-C4' energy: -26.128
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -31.250
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: 7
Temperature: 1.000000
Total energy: -330.144733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.144733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.144733 (E_RNA)
where:
Base-Base interactions energy: -208.423
where: short stacking energy: -110.086
Base-Backbone interact. energy: 0.025
local terms energy: -121.746890
where:
bonds (distance) C4'-P energy: -28.858
bonds (distance) P-C4' energy: -26.539
flat angles C4'-P-C4' energy: -28.665
flat angles P-C4'-P energy: -19.714
tors. eta vs tors. theta energy: -17.970
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: 6
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -422.385597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.385597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.385597 (E_RNA)
where:
Base-Base interactions energy: -287.312
where: short stacking energy: -116.416
Base-Backbone interact. energy: 0.257
local terms energy: -135.330291
where:
bonds (distance) C4'-P energy: -27.678
bonds (distance) P-C4' energy: -29.449
flat angles C4'-P-C4' energy: -24.329
flat angles P-C4'-P energy: -19.022
tors. eta vs tors. theta energy: -34.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -289.476294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.476294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.476294 (E_RNA)
where:
Base-Base interactions energy: -168.714
where: short stacking energy: -90.371
Base-Backbone interact. energy: 0.688
local terms energy: -121.450517
where:
bonds (distance) C4'-P energy: -25.486
bonds (distance) P-C4' energy: -29.814
flat angles C4'-P-C4' energy: -31.041
flat angles P-C4'-P energy: -16.902
tors. eta vs tors. theta energy: -18.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -222.166476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.166476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.166476 (E_RNA)
where:
Base-Base interactions energy: -119.798
where: short stacking energy: -64.818
Base-Backbone interact. energy: -0.219
local terms energy: -102.149197
where:
bonds (distance) C4'-P energy: -23.944
bonds (distance) P-C4' energy: -28.918
flat angles C4'-P-C4' energy: -19.852
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -15.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -176.380308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.380308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.380308 (E_RNA)
where:
Base-Base interactions energy: -87.499
where: short stacking energy: -69.632
Base-Backbone interact. energy: 0.144
local terms energy: -89.024620
where:
bonds (distance) C4'-P energy: -25.052
bonds (distance) P-C4' energy: -26.525
flat angles C4'-P-C4' energy: -19.484
flat angles P-C4'-P energy: -12.805
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: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -158.621206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.621206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.621206 (E_RNA)
where:
Base-Base interactions energy: -63.474
where: short stacking energy: -58.962
Base-Backbone interact. energy: -0.428
local terms energy: -94.718820
where:
bonds (distance) C4'-P energy: -21.059
bonds (distance) P-C4' energy: -29.077
flat angles C4'-P-C4' energy: -24.412
flat angles P-C4'-P energy: -19.040
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: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -138.952293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.952293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.952293 (E_RNA)
where:
Base-Base interactions energy: -51.802
where: short stacking energy: -35.076
Base-Backbone interact. energy: -0.877
local terms energy: -86.273120
where:
bonds (distance) C4'-P energy: -26.378
bonds (distance) P-C4' energy: -26.569
flat angles C4'-P-C4' energy: -23.862
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: 0.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -187.393884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.393884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.393884 (E_RNA)
where:
Base-Base interactions energy: -101.444
where: short stacking energy: -65.036
Base-Backbone interact. energy: 1.229
local terms energy: -87.179074
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -24.577
flat angles C4'-P-C4' energy: -20.345
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -6.334
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: 5
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -396.954183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.954183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.954183 (E_RNA)
where:
Base-Base interactions energy: -262.808
where: short stacking energy: -123.542
Base-Backbone interact. energy: 0.230
local terms energy: -134.376546
where:
bonds (distance) C4'-P energy: -26.751
bonds (distance) P-C4' energy: -33.387
flat angles C4'-P-C4' energy: -25.793
flat angles P-C4'-P energy: -20.392
tors. eta vs tors. theta energy: -28.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -363.494361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.494361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.494361 (E_RNA)
where:
Base-Base interactions energy: -234.929
where: short stacking energy: -111.361
Base-Backbone interact. energy: -0.815
local terms energy: -127.749969
where:
bonds (distance) C4'-P energy: -27.311
bonds (distance) P-C4' energy: -30.341
flat angles C4'-P-C4' energy: -25.927
flat angles P-C4'-P energy: -19.574
tors. eta vs tors. theta energy: -24.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -478.525919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.525919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.525919 (E_RNA)
where:
Base-Base interactions energy: -330.020
where: short stacking energy: -147.047
Base-Backbone interact. energy: -0.357
local terms energy: -148.149462
where:
bonds (distance) C4'-P energy: -29.348
bonds (distance) P-C4' energy: -28.996
flat angles C4'-P-C4' energy: -33.206
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -42.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -327.287650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.287650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.287650 (E_RNA)
where:
Base-Base interactions energy: -204.174
where: short stacking energy: -95.917
Base-Backbone interact. energy: -0.451
local terms energy: -122.662822
where:
bonds (distance) C4'-P energy: -28.583
bonds (distance) P-C4' energy: -26.378
flat angles C4'-P-C4' energy: -28.875
flat angles P-C4'-P energy: -17.643
tors. eta vs tors. theta energy: -21.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -288.121960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.121960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.121960 (E_RNA)
where:
Base-Base interactions energy: -159.575
where: short stacking energy: -86.498
Base-Backbone interact. energy: -0.115
local terms energy: -128.431765
where:
bonds (distance) C4'-P energy: -27.496
bonds (distance) P-C4' energy: -26.389
flat angles C4'-P-C4' energy: -33.295
flat angles P-C4'-P energy: -21.298
tors. eta vs tors. theta energy: -19.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -237.388889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.388889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.388889 (E_RNA)
where:
Base-Base interactions energy: -119.977
where: short stacking energy: -68.977
Base-Backbone interact. energy: -0.254
local terms energy: -117.158118
where:
bonds (distance) C4'-P energy: -31.997
bonds (distance) P-C4' energy: -30.402
flat angles C4'-P-C4' energy: -27.291
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -14.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -166.749853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.749853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.749853 (E_RNA)
where:
Base-Base interactions energy: -75.436
where: short stacking energy: -71.268
Base-Backbone interact. energy: -0.615
local terms energy: -90.699605
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -28.620
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -8.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -162.754096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.754096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.754096 (E_RNA)
where:
Base-Base interactions energy: -64.446
where: short stacking energy: -60.977
Base-Backbone interact. energy: -0.332
local terms energy: -97.976167
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -29.417
flat angles C4'-P-C4' energy: -22.446
flat angles P-C4'-P energy: -18.376
tors. eta vs tors. theta energy: -4.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -187.017687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.017687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.017687 (E_RNA)
where:
Base-Base interactions energy: -87.655
where: short stacking energy: -54.851
Base-Backbone interact. energy: -1.308
local terms energy: -98.055081
where:
bonds (distance) C4'-P energy: -25.369
bonds (distance) P-C4' energy: -27.443
flat angles C4'-P-C4' energy: -23.272
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -10.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -124.949556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.949556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.949556 (E_RNA)
where:
Base-Base interactions energy: -43.795
where: short stacking energy: -43.086
Base-Backbone interact. energy: -0.214
local terms energy: -80.940925
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -23.348
flat angles C4'-P-C4' energy: -24.991
flat angles P-C4'-P energy: -14.290
tors. eta vs tors. theta energy: -2.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -416.299735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.299735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.299735 (E_RNA)
where:
Base-Base interactions energy: -279.123
where: short stacking energy: -123.774
Base-Backbone interact. energy: -2.046
local terms energy: -135.131034
where:
bonds (distance) C4'-P energy: -29.150
bonds (distance) P-C4' energy: -33.497
flat angles C4'-P-C4' energy: -27.049
flat angles P-C4'-P energy: -20.523
tors. eta vs tors. theta energy: -24.912
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: 6
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -478.941493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.941493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.941493 (E_RNA)
where:
Base-Base interactions energy: -326.509
where: short stacking energy: -142.662
Base-Backbone interact. energy: -0.094
local terms energy: -152.338462
where:
bonds (distance) C4'-P energy: -26.182
bonds (distance) P-C4' energy: -26.191
flat angles C4'-P-C4' energy: -32.720
flat angles P-C4'-P energy: -26.407
tors. eta vs tors. theta energy: -40.838
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: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -369.441924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.441924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.441924 (E_RNA)
where:
Base-Base interactions energy: -250.620
where: short stacking energy: -100.404
Base-Backbone interact. energy: -1.239
local terms energy: -117.582994
where:
bonds (distance) C4'-P energy: -29.007
bonds (distance) P-C4' energy: -30.203
flat angles C4'-P-C4' energy: -24.466
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -20.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -314.715499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.715499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.715499 (E_RNA)
where:
Base-Base interactions energy: -198.288
where: short stacking energy: -92.677
Base-Backbone interact. energy: 3.506
local terms energy: -119.933563
where:
bonds (distance) C4'-P energy: -24.752
bonds (distance) P-C4' energy: -28.016
flat angles C4'-P-C4' energy: -30.329
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -21.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -272.851930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.851930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.851930 (E_RNA)
where:
Base-Base interactions energy: -157.963
where: short stacking energy: -77.689
Base-Backbone interact. energy: -1.630
local terms energy: -113.259025
where:
bonds (distance) C4'-P energy: -23.389
bonds (distance) P-C4' energy: -31.868
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -22.291
tors. eta vs tors. theta energy: -14.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -227.849252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.849252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.849252 (E_RNA)
where:
Base-Base interactions energy: -115.350
where: short stacking energy: -80.679
Base-Backbone interact. energy: -0.310
local terms energy: -112.189592
where:
bonds (distance) C4'-P energy: -24.407
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -29.582
flat angles P-C4'-P energy: -15.216
tors. eta vs tors. theta energy: -20.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -160.137865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.137865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.137865 (E_RNA)
where:
Base-Base interactions energy: -70.438
where: short stacking energy: -59.776
Base-Backbone interact. energy: 2.586
local terms energy: -92.285836
where:
bonds (distance) C4'-P energy: -20.479
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -20.986
flat angles P-C4'-P energy: -18.670
tors. eta vs tors. theta energy: -8.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -153.486207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.486207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.486207 (E_RNA)
where:
Base-Base interactions energy: -55.470
where: short stacking energy: -50.166
Base-Backbone interact. energy: -0.196
local terms energy: -97.820315
where:
bonds (distance) C4'-P energy: -20.932
bonds (distance) P-C4' energy: -30.330
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -16.671
tors. eta vs tors. theta energy: -9.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -196.816405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.816405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.816405 (E_RNA)
where:
Base-Base interactions energy: -106.123
where: short stacking energy: -56.172
Base-Backbone interact. energy: -1.411
local terms energy: -89.282390
where:
bonds (distance) C4'-P energy: -27.861
bonds (distance) P-C4' energy: -23.801
flat angles C4'-P-C4' energy: -23.968
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -1.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -168.645697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.645697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.645697 (E_RNA)
where:
Base-Base interactions energy: -77.691
where: short stacking energy: -54.009
Base-Backbone interact. energy: 2.355
local terms energy: -93.310290
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -30.038
flat angles C4'-P-C4' energy: -20.946
flat angles P-C4'-P energy: -15.735
tors. eta vs tors. theta energy: -4.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -493.132854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.132854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.132854 (E_RNA)
where:
Base-Base interactions energy: -346.818
where: short stacking energy: -147.545
Base-Backbone interact. energy: -0.023
local terms energy: -146.292146
where:
bonds (distance) C4'-P energy: -27.915
bonds (distance) P-C4' energy: -28.749
flat angles C4'-P-C4' energy: -31.570
flat angles P-C4'-P energy: -18.833
tors. eta vs tors. theta energy: -39.225
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: 5
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -398.932809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.932809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.932809 (E_RNA)
where:
Base-Base interactions energy: -265.561
where: short stacking energy: -123.056
Base-Backbone interact. energy: -1.251
local terms energy: -132.120401
where:
bonds (distance) C4'-P energy: -29.501
bonds (distance) P-C4' energy: -30.484
flat angles C4'-P-C4' energy: -26.285
flat angles P-C4'-P energy: -22.171
tors. eta vs tors. theta energy: -23.680
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: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -375.627863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.627863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.627863 (E_RNA)
where:
Base-Base interactions energy: -257.916
where: short stacking energy: -117.106
Base-Backbone interact. energy: -0.782
local terms energy: -116.929478
where:
bonds (distance) C4'-P energy: -20.745
bonds (distance) P-C4' energy: -29.606
flat angles C4'-P-C4' energy: -25.730
flat angles P-C4'-P energy: -19.333
tors. eta vs tors. theta energy: -21.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -327.929724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.929724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.929724 (E_RNA)
where:
Base-Base interactions energy: -208.506
where: short stacking energy: -110.363
Base-Backbone interact. energy: -1.168
local terms energy: -118.255660
where:
bonds (distance) C4'-P energy: -19.371
bonds (distance) P-C4' energy: -23.768
flat angles C4'-P-C4' energy: -30.886
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -31.108
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: 1
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -278.862195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.862195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.862195 (E_RNA)
where:
Base-Base interactions energy: -176.946
where: short stacking energy: -96.712
Base-Backbone interact. energy: 0.219
local terms energy: -102.134807
where:
bonds (distance) C4'-P energy: -21.573
bonds (distance) P-C4' energy: -23.985
flat angles C4'-P-C4' energy: -25.556
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -16.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -250.984176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.984176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.984176 (E_RNA)
where:
Base-Base interactions energy: -139.834
where: short stacking energy: -71.398
Base-Backbone interact. energy: -0.165
local terms energy: -110.985330
where:
bonds (distance) C4'-P energy: -22.898
bonds (distance) P-C4' energy: -29.051
flat angles C4'-P-C4' energy: -21.670
flat angles P-C4'-P energy: -19.097
tors. eta vs tors. theta energy: -18.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -172.893885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.893885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.893885 (E_RNA)
where:
Base-Base interactions energy: -75.077
where: short stacking energy: -65.397
Base-Backbone interact. energy: -0.447
local terms energy: -97.370566
where:
bonds (distance) C4'-P energy: -26.864
bonds (distance) P-C4' energy: -25.186
flat angles C4'-P-C4' energy: -21.710
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -10.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -154.723004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.723004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.723004 (E_RNA)
where:
Base-Base interactions energy: -54.507
where: short stacking energy: -51.157
Base-Backbone interact. energy: -0.061
local terms energy: -100.154405
where:
bonds (distance) C4'-P energy: -25.990
bonds (distance) P-C4' energy: -32.039
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -17.526
tors. eta vs tors. theta energy: -6.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -159.937013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.937013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.937013 (E_RNA)
where:
Base-Base interactions energy: -56.031
where: short stacking energy: -51.859
Base-Backbone interact. energy: 0.750
local terms energy: -104.656078
where:
bonds (distance) C4'-P energy: -24.615
bonds (distance) P-C4' energy: -32.721
flat angles C4'-P-C4' energy: -20.308
flat angles P-C4'-P energy: -18.987
tors. eta vs tors. theta energy: -8.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -204.891753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.891753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.891753 (E_RNA)
where:
Base-Base interactions energy: -117.276
where: short stacking energy: -59.130
Base-Backbone interact. energy: -0.262
local terms energy: -87.353579
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -24.770
flat angles C4'-P-C4' energy: -29.778
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -0.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -485.268574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.268574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.268574 (E_RNA)
where:
Base-Base interactions energy: -338.418
where: short stacking energy: -141.176
Base-Backbone interact. energy: -0.328
local terms energy: -146.522374
where:
bonds (distance) C4'-P energy: -26.346
bonds (distance) P-C4' energy: -32.714
flat angles C4'-P-C4' energy: -31.656
flat angles P-C4'-P energy: -18.746
tors. eta vs tors. theta energy: -37.060
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: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -397.706996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.706996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.706996 (E_RNA)
where:
Base-Base interactions energy: -261.045
where: short stacking energy: -112.423
Base-Backbone interact. energy: -0.625
local terms energy: -136.037457
where:
bonds (distance) C4'-P energy: -30.359
bonds (distance) P-C4' energy: -28.488
flat angles C4'-P-C4' energy: -30.317
flat angles P-C4'-P energy: -20.582
tors. eta vs tors. theta energy: -26.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -381.842743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.842743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.842743 (E_RNA)
where:
Base-Base interactions energy: -255.343
where: short stacking energy: -114.943
Base-Backbone interact. energy: -0.347
local terms energy: -126.152724
where:
bonds (distance) C4'-P energy: -21.844
bonds (distance) P-C4' energy: -28.966
flat angles C4'-P-C4' energy: -28.145
flat angles P-C4'-P energy: -17.959
tors. eta vs tors. theta energy: -29.239
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: 4, replica: 2
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -371.239073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.239073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.239073 (E_RNA)
where:
Base-Base interactions energy: -248.267
where: short stacking energy: -104.474
Base-Backbone interact. energy: -1.517
local terms energy: -121.455271
where:
bonds (distance) C4'-P energy: -21.868
bonds (distance) P-C4' energy: -27.880
flat angles C4'-P-C4' energy: -29.335
flat angles P-C4'-P energy: -20.540
tors. eta vs tors. theta energy: -21.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -290.442232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.442232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.442232 (E_RNA)
where:
Base-Base interactions energy: -176.704
where: short stacking energy: -90.192
Base-Backbone interact. energy: -1.121
local terms energy: -112.616540
where:
bonds (distance) C4'-P energy: -24.134
bonds (distance) P-C4' energy: -29.621
flat angles C4'-P-C4' energy: -22.765
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: -20.163
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: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -226.614125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.614125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.614125 (E_RNA)
where:
Base-Base interactions energy: -128.165
where: short stacking energy: -68.201
Base-Backbone interact. energy: 0.416
local terms energy: -98.865171
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -23.157
flat angles C4'-P-C4' energy: -27.261
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -12.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -179.201665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.201665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.201665 (E_RNA)
where:
Base-Base interactions energy: -81.142
where: short stacking energy: -65.015
Base-Backbone interact. energy: -0.152
local terms energy: -97.906903
where:
bonds (distance) C4'-P energy: -28.568
bonds (distance) P-C4' energy: -25.248
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -10.620
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: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -193.476972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.476972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.476972 (E_RNA)
where:
Base-Base interactions energy: -98.755
where: short stacking energy: -58.694
Base-Backbone interact. energy: -1.685
local terms energy: -93.036567
where:
bonds (distance) C4'-P energy: -29.614
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -13.129
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: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -140.807399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.807399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.807399 (E_RNA)
where:
Base-Base interactions energy: -52.000
where: short stacking energy: -45.732
Base-Backbone interact. energy: -0.228
local terms energy: -88.579381
where:
bonds (distance) C4'-P energy: -28.672
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -16.945
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: 10, replica: 4
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -193.573648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.573648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.573648 (E_RNA)
where:
Base-Base interactions energy: -112.822
where: short stacking energy: -58.749
Base-Backbone interact. energy: 1.781
local terms energy: -82.532355
where:
bonds (distance) C4'-P energy: -18.683
bonds (distance) P-C4' energy: -25.374
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -13.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -497.623744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.623744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.623744 (E_RNA)
where:
Base-Base interactions energy: -348.920
where: short stacking energy: -145.001
Base-Backbone interact. energy: -0.215
local terms energy: -148.489332
where:
bonds (distance) C4'-P energy: -28.835
bonds (distance) P-C4' energy: -25.520
flat angles C4'-P-C4' energy: -34.399
flat angles P-C4'-P energy: -24.887
tors. eta vs tors. theta energy: -34.848
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: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -399.850090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.850090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.850090 (E_RNA)
where:
Base-Base interactions energy: -271.469
where: short stacking energy: -106.925
Base-Backbone interact. energy: 0.082
local terms energy: -128.463106
where:
bonds (distance) C4'-P energy: -22.838
bonds (distance) P-C4' energy: -26.025
flat angles C4'-P-C4' energy: -29.727
flat angles P-C4'-P energy: -23.817
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: 2
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -371.003864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.003864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.003864 (E_RNA)
where:
Base-Base interactions energy: -251.065
where: short stacking energy: -104.738
Base-Backbone interact. energy: -1.752
local terms energy: -118.186563
where:
bonds (distance) C4'-P energy: -22.895
bonds (distance) P-C4' energy: -30.077
flat angles C4'-P-C4' energy: -23.732
flat angles P-C4'-P energy: -17.646
tors. eta vs tors. theta energy: -23.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -339.771570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.771570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.771570 (E_RNA)
where:
Base-Base interactions energy: -224.870
where: short stacking energy: -105.537
Base-Backbone interact. energy: -1.039
local terms energy: -113.862911
where:
bonds (distance) C4'-P energy: -30.349
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -28.318
flat angles P-C4'-P energy: -17.504
tors. eta vs tors. theta energy: -17.488
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: 5, replica: 1
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -304.179267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.179267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.179267 (E_RNA)
where:
Base-Base interactions energy: -197.623
where: short stacking energy: -89.008
Base-Backbone interact. energy: 0.014
local terms energy: -106.570137
where:
bonds (distance) C4'-P energy: -20.062
bonds (distance) P-C4' energy: -22.291
flat angles C4'-P-C4' energy: -28.885
flat angles P-C4'-P energy: -16.569
tors. eta vs tors. theta energy: -18.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -223.837578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.837578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.837578 (E_RNA)
where:
Base-Base interactions energy: -118.634
where: short stacking energy: -79.221
Base-Backbone interact. energy: -0.286
local terms energy: -104.918353
where:
bonds (distance) C4'-P energy: -24.546
bonds (distance) P-C4' energy: -20.409
flat angles C4'-P-C4' energy: -28.970
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: -17.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -242.539863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.539863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.539863 (E_RNA)
where:
Base-Base interactions energy: -149.452
where: short stacking energy: -72.003
Base-Backbone interact. energy: -1.086
local terms energy: -92.001925
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -27.763
flat angles C4'-P-C4' energy: -25.088
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -5.496
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: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -168.975116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.975116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.975116 (E_RNA)
where:
Base-Base interactions energy: -80.636
where: short stacking energy: -68.392
Base-Backbone interact. energy: 3.165
local terms energy: -91.503800
where:
bonds (distance) C4'-P energy: -25.091
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -19.196
tors. eta vs tors. theta energy: -6.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -233.629967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.629967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.629967 (E_RNA)
where:
Base-Base interactions energy: -137.400
where: short stacking energy: -88.792
Base-Backbone interact. energy: -0.120
local terms energy: -96.110464
where:
bonds (distance) C4'-P energy: -24.998
bonds (distance) P-C4' energy: -24.990
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -17.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -152.190510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.190510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.190510 (E_RNA)
where:
Base-Base interactions energy: -60.219
where: short stacking energy: -58.614
Base-Backbone interact. energy: -0.521
local terms energy: -91.450831
where:
bonds (distance) C4'-P energy: -27.213
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -14.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -486.710021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.710021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.710021 (E_RNA)
where:
Base-Base interactions energy: -340.558
where: short stacking energy: -140.556
Base-Backbone interact. energy: -0.330
local terms energy: -145.821284
where:
bonds (distance) C4'-P energy: -25.340
bonds (distance) P-C4' energy: -25.402
flat angles C4'-P-C4' energy: -33.959
flat angles P-C4'-P energy: -23.287
tors. eta vs tors. theta energy: -37.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -383.241674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.241674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.241674 (E_RNA)
where:
Base-Base interactions energy: -256.846
where: short stacking energy: -110.000
Base-Backbone interact. energy: -0.683
local terms energy: -125.712335
where:
bonds (distance) C4'-P energy: -26.910
bonds (distance) P-C4' energy: -28.680
flat angles C4'-P-C4' energy: -27.350
flat angles P-C4'-P energy: -21.753
tors. eta vs tors. theta energy: -21.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -405.834355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.834355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.834355 (E_RNA)
where:
Base-Base interactions energy: -277.619
where: short stacking energy: -102.506
Base-Backbone interact. energy: -0.458
local terms energy: -127.757372
where:
bonds (distance) C4'-P energy: -28.469
bonds (distance) P-C4' energy: -29.256
flat angles C4'-P-C4' energy: -27.887
flat angles P-C4'-P energy: -17.584
tors. eta vs tors. theta energy: -24.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -329.326007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.326007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.326007 (E_RNA)
where:
Base-Base interactions energy: -218.012
where: short stacking energy: -96.677
Base-Backbone interact. energy: -0.553
local terms energy: -110.761553
where:
bonds (distance) C4'-P energy: -23.845
bonds (distance) P-C4' energy: -23.089
flat angles C4'-P-C4' energy: -24.993
flat angles P-C4'-P energy: -18.753
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: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -377.634637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.634637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.634637 (E_RNA)
where:
Base-Base interactions energy: -263.478
where: short stacking energy: -101.342
Base-Backbone interact. energy: -0.036
local terms energy: -114.120556
where:
bonds (distance) C4'-P energy: -20.145
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -31.978
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -31.095
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: 8
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -264.207803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.207803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.207803 (E_RNA)
where:
Base-Base interactions energy: -155.205
where: short stacking energy: -80.540
Base-Backbone interact. energy: -0.976
local terms energy: -108.026220
where:
bonds (distance) C4'-P energy: -27.937
bonds (distance) P-C4' energy: -23.374
flat angles C4'-P-C4' energy: -27.453
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -19.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -200.156508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.156508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.156508 (E_RNA)
where:
Base-Base interactions energy: -94.445
where: short stacking energy: -65.497
Base-Backbone interact. energy: 2.029
local terms energy: -107.740187
where:
bonds (distance) C4'-P energy: -30.263
bonds (distance) P-C4' energy: -33.853
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -7.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -242.990126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.990126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.990126 (E_RNA)
where:
Base-Base interactions energy: -144.789
where: short stacking energy: -71.129
Base-Backbone interact. energy: -0.247
local terms energy: -97.953809
where:
bonds (distance) C4'-P energy: -22.338
bonds (distance) P-C4' energy: -29.809
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -14.403
tors. eta vs tors. theta energy: -13.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -207.692518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.692518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.692518 (E_RNA)
where:
Base-Base interactions energy: -108.494
where: short stacking energy: -58.417
Base-Backbone interact. energy: -0.719
local terms energy: -98.479226
where:
bonds (distance) C4'-P energy: -25.254
bonds (distance) P-C4' energy: -30.372
flat angles C4'-P-C4' energy: -20.359
flat angles P-C4'-P energy: -15.225
tors. eta vs tors. theta energy: -7.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -146.509737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.509737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.509737 (E_RNA)
where:
Base-Base interactions energy: -50.102
where: short stacking energy: -47.709
Base-Backbone interact. energy: -0.885
local terms energy: -95.523012
where:
bonds (distance) C4'-P energy: -24.382
bonds (distance) P-C4' energy: -29.961
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -20.186
tors. eta vs tors. theta energy: -1.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -479.250552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.250552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.250552 (E_RNA)
where:
Base-Base interactions energy: -332.050
where: short stacking energy: -147.409
Base-Backbone interact. energy: -0.100
local terms energy: -147.100075
where:
bonds (distance) C4'-P energy: -28.020
bonds (distance) P-C4' energy: -29.978
flat angles C4'-P-C4' energy: -33.246
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -42.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -379.264926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.264926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.264926 (E_RNA)
where:
Base-Base interactions energy: -241.591
where: short stacking energy: -126.415
Base-Backbone interact. energy: -0.708
local terms energy: -136.966057
where:
bonds (distance) C4'-P energy: -26.173
bonds (distance) P-C4' energy: -30.134
flat angles C4'-P-C4' energy: -23.552
flat angles P-C4'-P energy: -24.230
tors. eta vs tors. theta energy: -32.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -386.802953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.802953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.802953 (E_RNA)
where:
Base-Base interactions energy: -259.960
where: short stacking energy: -102.840
Base-Backbone interact. energy: 0.042
local terms energy: -126.885168
where:
bonds (distance) C4'-P energy: -27.535
bonds (distance) P-C4' energy: -29.333
flat angles C4'-P-C4' energy: -21.369
flat angles P-C4'-P energy: -25.174
tors. eta vs tors. theta energy: -23.475
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: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -333.252667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.252667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.252667 (E_RNA)
where:
Base-Base interactions energy: -213.479
where: short stacking energy: -104.551
Base-Backbone interact. energy: -0.405
local terms energy: -119.369130
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -30.072
flat angles C4'-P-C4' energy: -26.222
flat angles P-C4'-P energy: -19.138
tors. eta vs tors. theta energy: -23.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -385.087753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.087753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.087753 (E_RNA)
where:
Base-Base interactions energy: -269.143
where: short stacking energy: -110.675
Base-Backbone interact. energy: 1.121
local terms energy: -117.065417
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -27.640
flat angles C4'-P-C4' energy: -29.220
flat angles P-C4'-P energy: -21.070
tors. eta vs tors. theta energy: -22.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -287.145025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.145025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.145025 (E_RNA)
where:
Base-Base interactions energy: -170.353
where: short stacking energy: -77.335
Base-Backbone interact. energy: -0.526
local terms energy: -116.266309
where:
bonds (distance) C4'-P energy: -27.292
bonds (distance) P-C4' energy: -22.810
flat angles C4'-P-C4' energy: -26.212
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -22.279
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: 7, replica: 4
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -243.091339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.091339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.091339 (E_RNA)
where:
Base-Base interactions energy: -142.516
where: short stacking energy: -87.208
Base-Backbone interact. energy: -0.244
local terms energy: -100.331296
where:
bonds (distance) C4'-P energy: -26.047
bonds (distance) P-C4' energy: -24.495
flat angles C4'-P-C4' energy: -24.176
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -13.412
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: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -198.235515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.235515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.235515 (E_RNA)
where:
Base-Base interactions energy: -93.076
where: short stacking energy: -62.609
Base-Backbone interact. energy: -1.034
local terms energy: -104.125790
where:
bonds (distance) C4'-P energy: -20.941
bonds (distance) P-C4' energy: -24.777
flat angles C4'-P-C4' energy: -27.247
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -11.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -160.716462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.716462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.716462 (E_RNA)
where:
Base-Base interactions energy: -76.026
where: short stacking energy: -54.678
Base-Backbone interact. energy: 1.605
local terms energy: -86.295362
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -28.600
flat angles C4'-P-C4' energy: -21.369
flat angles P-C4'-P energy: -16.463
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: 10, replica: 7
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -189.338510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.338510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.338510 (E_RNA)
where:
Base-Base interactions energy: -101.935
where: short stacking energy: -61.720
Base-Backbone interact. energy: -0.214
local terms energy: -87.189816
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -25.135
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -18.023
tors. eta vs tors. theta energy: -5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -492.093072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.093072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.093072 (E_RNA)
where:
Base-Base interactions energy: -341.265
where: short stacking energy: -138.056
Base-Backbone interact. energy: -0.606
local terms energy: -150.221516
where:
bonds (distance) C4'-P energy: -31.661
bonds (distance) P-C4' energy: -28.523
flat angles C4'-P-C4' energy: -29.941
flat angles P-C4'-P energy: -25.137
tors. eta vs tors. theta energy: -34.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -387.850875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.850875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.850875 (E_RNA)
where:
Base-Base interactions energy: -261.295
where: short stacking energy: -105.907
Base-Backbone interact. energy: -0.426
local terms energy: -126.129834
where:
bonds (distance) C4'-P energy: -30.018
bonds (distance) P-C4' energy: -27.492
flat angles C4'-P-C4' energy: -26.871
flat angles P-C4'-P energy: -15.938
tors. eta vs tors. theta energy: -25.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -395.196882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.196882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.196882 (E_RNA)
where:
Base-Base interactions energy: -264.018
where: short stacking energy: -105.066
Base-Backbone interact. energy: -1.890
local terms energy: -129.288780
where:
bonds (distance) C4'-P energy: -30.632
bonds (distance) P-C4' energy: -29.763
flat angles C4'-P-C4' energy: -29.148
flat angles P-C4'-P energy: -19.300
tors. eta vs tors. theta energy: -20.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -392.009676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.009676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.009676 (E_RNA)
where:
Base-Base interactions energy: -271.147
where: short stacking energy: -106.472
Base-Backbone interact. energy: -1.054
local terms energy: -119.808890
where:
bonds (distance) C4'-P energy: -23.991
bonds (distance) P-C4' energy: -26.751
flat angles C4'-P-C4' energy: -30.408
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -23.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -325.920640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.920640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.920640 (E_RNA)
where:
Base-Base interactions energy: -219.022
where: short stacking energy: -95.810
Base-Backbone interact. energy: -0.532
local terms energy: -106.366621
where:
bonds (distance) C4'-P energy: -22.596
bonds (distance) P-C4' energy: -25.233
flat angles C4'-P-C4' energy: -30.044
flat angles P-C4'-P energy: -15.350
tors. eta vs tors. theta energy: -13.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -281.397379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.397379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.397379 (E_RNA)
where:
Base-Base interactions energy: -165.632
where: short stacking energy: -94.820
Base-Backbone interact. energy: -0.317
local terms energy: -115.447987
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -26.433
flat angles C4'-P-C4' energy: -29.701
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -18.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -243.758768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.758768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.758768 (E_RNA)
where:
Base-Base interactions energy: -144.835
where: short stacking energy: -73.627
Base-Backbone interact. energy: -0.461
local terms energy: -98.462242
where:
bonds (distance) C4'-P energy: -21.785
bonds (distance) P-C4' energy: -23.417
flat angles C4'-P-C4' energy: -25.786
flat angles P-C4'-P energy: -18.642
tors. eta vs tors. theta energy: -8.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -156.054235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.054235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.054235 (E_RNA)
where:
Base-Base interactions energy: -62.081
where: short stacking energy: -46.730
Base-Backbone interact. energy: -0.232
local terms energy: -93.741302
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -27.733
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -19.281
tors. eta vs tors. theta energy: -8.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -160.903881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.903881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.903881 (E_RNA)
where:
Base-Base interactions energy: -63.855
where: short stacking energy: -59.925
Base-Backbone interact. energy: -0.256
local terms energy: -96.792919
where:
bonds (distance) C4'-P energy: -24.274
bonds (distance) P-C4' energy: -24.389
flat angles C4'-P-C4' energy: -22.763
flat angles P-C4'-P energy: -17.350
tors. eta vs tors. theta energy: -8.016
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: 10, replica: 7
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -193.315611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.315611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.315611 (E_RNA)
where:
Base-Base interactions energy: -116.819
where: short stacking energy: -69.436
Base-Backbone interact. energy: -0.043
local terms energy: -76.453568
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -23.778
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -1.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -492.761826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.761826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.761826 (E_RNA)
where:
Base-Base interactions energy: -338.033
where: short stacking energy: -145.988
Base-Backbone interact. energy: -0.333
local terms energy: -154.395786
where:
bonds (distance) C4'-P energy: -30.101
bonds (distance) P-C4' energy: -26.337
flat angles C4'-P-C4' energy: -32.669
flat angles P-C4'-P energy: -19.765
tors. eta vs tors. theta energy: -45.524
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: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -396.773003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.773003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.773003 (E_RNA)
where:
Base-Base interactions energy: -256.775
where: short stacking energy: -122.780
Base-Backbone interact. energy: -0.590
local terms energy: -139.408416
where:
bonds (distance) C4'-P energy: -28.373
bonds (distance) P-C4' energy: -32.976
flat angles C4'-P-C4' energy: -26.374
flat angles P-C4'-P energy: -24.004
tors. eta vs tors. theta energy: -27.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -403.870434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.870434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.870434 (E_RNA)
where:
Base-Base interactions energy: -277.162
where: short stacking energy: -113.702
Base-Backbone interact. energy: -0.088
local terms energy: -126.619744
where:
bonds (distance) C4'-P energy: -28.856
bonds (distance) P-C4' energy: -25.654
flat angles C4'-P-C4' energy: -30.207
flat angles P-C4'-P energy: -15.319
tors. eta vs tors. theta energy: -26.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -365.335040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.335040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.335040 (E_RNA)
where:
Base-Base interactions energy: -243.667
where: short stacking energy: -106.773
Base-Backbone interact. energy: 0.013
local terms energy: -121.680272
where:
bonds (distance) C4'-P energy: -26.432
bonds (distance) P-C4' energy: -29.785
flat angles C4'-P-C4' energy: -26.842
flat angles P-C4'-P energy: -15.847
tors. eta vs tors. theta energy: -22.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -354.250802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.250802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.250802 (E_RNA)
where:
Base-Base interactions energy: -230.725
where: short stacking energy: -109.597
Base-Backbone interact. energy: -0.164
local terms energy: -123.362550
where:
bonds (distance) C4'-P energy: -19.954
bonds (distance) P-C4' energy: -28.783
flat angles C4'-P-C4' energy: -26.163
flat angles P-C4'-P energy: -17.838
tors. eta vs tors. theta energy: -30.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -317.978503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.978503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.978503 (E_RNA)
where:
Base-Base interactions energy: -203.188
where: short stacking energy: -90.227
Base-Backbone interact. energy: -0.142
local terms energy: -114.648114
where:
bonds (distance) C4'-P energy: -25.946
bonds (distance) P-C4' energy: -26.695
flat angles C4'-P-C4' energy: -25.637
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -23.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -226.784462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.784462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.784462 (E_RNA)
where:
Base-Base interactions energy: -123.659
where: short stacking energy: -67.395
Base-Backbone interact. energy: -0.490
local terms energy: -102.635939
where:
bonds (distance) C4'-P energy: -27.786
bonds (distance) P-C4' energy: -27.902
flat angles C4'-P-C4' energy: -24.217
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -8.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -186.191727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.191727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.191727 (E_RNA)
where:
Base-Base interactions energy: -99.359
where: short stacking energy: -58.101
Base-Backbone interact. energy: 1.047
local terms energy: -87.879335
where:
bonds (distance) C4'-P energy: -25.319
bonds (distance) P-C4' energy: -27.075
flat angles C4'-P-C4' energy: -26.615
flat angles P-C4'-P energy: -3.492
tors. eta vs tors. theta energy: -5.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -198.597381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.597381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.597381 (E_RNA)
where:
Base-Base interactions energy: -100.246
where: short stacking energy: -51.909
Base-Backbone interact. energy: -0.718
local terms energy: -97.632710
where:
bonds (distance) C4'-P energy: -30.205
bonds (distance) P-C4' energy: -28.138
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -9.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -142.949997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.949997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.949997 (E_RNA)
where:
Base-Base interactions energy: -57.586
where: short stacking energy: -52.903
Base-Backbone interact. energy: 4.290
local terms energy: -89.653980
where:
bonds (distance) C4'-P energy: -24.951
bonds (distance) P-C4' energy: -20.022
flat angles C4'-P-C4' energy: -24.299
flat angles P-C4'-P energy: -18.725
tors. eta vs tors. theta energy: -1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -494.914218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.914218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.914218 (E_RNA)
where:
Base-Base interactions energy: -331.824
where: short stacking energy: -144.758
Base-Backbone interact. energy: -0.458
local terms energy: -162.631911
where:
bonds (distance) C4'-P energy: -30.362
bonds (distance) P-C4' energy: -28.509
flat angles C4'-P-C4' energy: -34.999
flat angles P-C4'-P energy: -25.428
tors. eta vs tors. theta energy: -43.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -403.953132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.953132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.953132 (E_RNA)
where:
Base-Base interactions energy: -269.754
where: short stacking energy: -131.227
Base-Backbone interact. energy: -0.592
local terms energy: -133.607413
where:
bonds (distance) C4'-P energy: -26.764
bonds (distance) P-C4' energy: -24.127
flat angles C4'-P-C4' energy: -31.296
flat angles P-C4'-P energy: -23.441
tors. eta vs tors. theta energy: -27.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -425.363418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.363418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.363418 (E_RNA)
where:
Base-Base interactions energy: -294.580
where: short stacking energy: -134.638
Base-Backbone interact. energy: -0.193
local terms energy: -130.590932
where:
bonds (distance) C4'-P energy: -27.392
bonds (distance) P-C4' energy: -29.070
flat angles C4'-P-C4' energy: -29.163
flat angles P-C4'-P energy: -16.623
tors. eta vs tors. theta energy: -28.343
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: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -364.478375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.478375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.478375 (E_RNA)
where:
Base-Base interactions energy: -241.383
where: short stacking energy: -105.193
Base-Backbone interact. energy: -2.145
local terms energy: -120.950052
where:
bonds (distance) C4'-P energy: -26.323
bonds (distance) P-C4' energy: -27.313
flat angles C4'-P-C4' energy: -27.619
flat angles P-C4'-P energy: -21.284
tors. eta vs tors. theta energy: -18.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -333.813981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.813981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.813981 (E_RNA)
where:
Base-Base interactions energy: -208.088
where: short stacking energy: -101.283
Base-Backbone interact. energy: -0.193
local terms energy: -125.533572
where:
bonds (distance) C4'-P energy: -23.372
bonds (distance) P-C4' energy: -25.922
flat angles C4'-P-C4' energy: -25.157
flat angles P-C4'-P energy: -17.931
tors. eta vs tors. theta energy: -33.151
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: 5
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -358.113274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.113274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.113274 (E_RNA)
where:
Base-Base interactions energy: -236.951
where: short stacking energy: -93.955
Base-Backbone interact. energy: -0.607
local terms energy: -120.555072
where:
bonds (distance) C4'-P energy: -21.710
bonds (distance) P-C4' energy: -30.900
flat angles C4'-P-C4' energy: -27.444
flat angles P-C4'-P energy: -17.857
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: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -235.214434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.214434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.214434 (E_RNA)
where:
Base-Base interactions energy: -124.115
where: short stacking energy: -80.154
Base-Backbone interact. energy: 0.504
local terms energy: -111.603009
where:
bonds (distance) C4'-P energy: -21.337
bonds (distance) P-C4' energy: -28.842
flat angles C4'-P-C4' energy: -28.209
flat angles P-C4'-P energy: -15.849
tors. eta vs tors. theta energy: -17.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -223.521297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.521297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.521297 (E_RNA)
where:
Base-Base interactions energy: -113.978
where: short stacking energy: -72.776
Base-Backbone interact. energy: 0.822
local terms energy: -110.365136
where:
bonds (distance) C4'-P energy: -23.759
bonds (distance) P-C4' energy: -31.569
flat angles C4'-P-C4' energy: -23.359
flat angles P-C4'-P energy: -17.684
tors. eta vs tors. theta energy: -13.994
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: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -189.369288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.369288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.369288 (E_RNA)
where:
Base-Base interactions energy: -103.063
where: short stacking energy: -56.797
Base-Backbone interact. energy: 0.790
local terms energy: -87.096368
where:
bonds (distance) C4'-P energy: -23.792
bonds (distance) P-C4' energy: -22.913
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -10.521
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: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -139.419011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.419011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.419011 (E_RNA)
where:
Base-Base interactions energy: -52.353
where: short stacking energy: -39.767
Base-Backbone interact. energy: -0.535
local terms energy: -86.530899
where:
bonds (distance) C4'-P energy: -23.372
bonds (distance) P-C4' energy: -23.124
flat angles C4'-P-C4' energy: -23.446
flat angles P-C4'-P energy: -18.973
tors. eta vs tors. theta energy: 2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -506.603051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.603051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.603051 (E_RNA)
where:
Base-Base interactions energy: -353.883
where: short stacking energy: -155.976
Base-Backbone interact. energy: -0.043
local terms energy: -152.676957
where:
bonds (distance) C4'-P energy: -28.652
bonds (distance) P-C4' energy: -27.959
flat angles C4'-P-C4' energy: -30.415
flat angles P-C4'-P energy: -22.181
tors. eta vs tors. theta energy: -43.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -388.748533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.748533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.748533 (E_RNA)
where:
Base-Base interactions energy: -252.607
where: short stacking energy: -126.996
Base-Backbone interact. energy: -3.255
local terms energy: -132.886825
where:
bonds (distance) C4'-P energy: -26.011
bonds (distance) P-C4' energy: -24.301
flat angles C4'-P-C4' energy: -30.834
flat angles P-C4'-P energy: -22.325
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: 3, replica: 1
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -417.980537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.980537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.980537 (E_RNA)
where:
Base-Base interactions energy: -290.232
where: short stacking energy: -119.544
Base-Backbone interact. energy: 0.336
local terms energy: -128.085051
where:
bonds (distance) C4'-P energy: -30.706
bonds (distance) P-C4' energy: -26.338
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -19.021
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: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -364.961452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.961452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.961452 (E_RNA)
where:
Base-Base interactions energy: -247.655
where: short stacking energy: -100.289
Base-Backbone interact. energy: -1.300
local terms energy: -116.006648
where:
bonds (distance) C4'-P energy: -24.506
bonds (distance) P-C4' energy: -25.353
flat angles C4'-P-C4' energy: -26.537
flat angles P-C4'-P energy: -17.996
tors. eta vs tors. theta energy: -21.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -375.182596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.182596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.182596 (E_RNA)
where:
Base-Base interactions energy: -247.407
where: short stacking energy: -97.187
Base-Backbone interact. energy: 0.585
local terms energy: -128.360000
where:
bonds (distance) C4'-P energy: -27.055
bonds (distance) P-C4' energy: -28.522
flat angles C4'-P-C4' energy: -28.162
flat angles P-C4'-P energy: -23.028
tors. eta vs tors. theta energy: -21.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -360.222199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.222199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.222199 (E_RNA)
where:
Base-Base interactions energy: -236.126
where: short stacking energy: -117.178
Base-Backbone interact. energy: -1.677
local terms energy: -122.419640
where:
bonds (distance) C4'-P energy: -23.892
bonds (distance) P-C4' energy: -25.123
flat angles C4'-P-C4' energy: -23.624
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -36.127
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: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -234.897259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.897259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.897259 (E_RNA)
where:
Base-Base interactions energy: -128.411
where: short stacking energy: -79.381
Base-Backbone interact. energy: -0.659
local terms energy: -105.827329
where:
bonds (distance) C4'-P energy: -18.921
bonds (distance) P-C4' energy: -24.310
flat angles C4'-P-C4' energy: -29.797
flat angles P-C4'-P energy: -20.596
tors. eta vs tors. theta energy: -12.203
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: 8, replica: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -223.821129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.821129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.821129 (E_RNA)
where:
Base-Base interactions energy: -127.193
where: short stacking energy: -71.315
Base-Backbone interact. energy: -0.881
local terms energy: -95.746754
where:
bonds (distance) C4'-P energy: -26.963
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -23.567
flat angles P-C4'-P energy: -12.093
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: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -220.358874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.358874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.358874 (E_RNA)
where:
Base-Base interactions energy: -134.912
where: short stacking energy: -78.512
Base-Backbone interact. energy: -0.352
local terms energy: -85.095711
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -20.553
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -10.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -142.538232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.538232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.538232 (E_RNA)
where:
Base-Base interactions energy: -59.817
where: short stacking energy: -46.282
Base-Backbone interact. energy: -0.121
local terms energy: -82.600068
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -28.173
flat angles C4'-P-C4' energy: -24.138
flat angles P-C4'-P energy: -16.464
tors. eta vs tors. theta energy: 5.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -506.235599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.235599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.235599 (E_RNA)
where:
Base-Base interactions energy: -358.390
where: short stacking energy: -144.080
Base-Backbone interact. energy: -0.654
local terms energy: -147.191292
where:
bonds (distance) C4'-P energy: -29.041
bonds (distance) P-C4' energy: -31.478
flat angles C4'-P-C4' energy: -30.107
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -42.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -435.941177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.941177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.941177 (E_RNA)
where:
Base-Base interactions energy: -299.526
where: short stacking energy: -118.343
Base-Backbone interact. energy: -0.191
local terms energy: -136.224231
where:
bonds (distance) C4'-P energy: -24.383
bonds (distance) P-C4' energy: -29.028
flat angles C4'-P-C4' energy: -28.062
flat angles P-C4'-P energy: -19.605
tors. eta vs tors. theta energy: -35.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -360.324989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.324989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.324989 (E_RNA)
where:
Base-Base interactions energy: -227.521
where: short stacking energy: -120.321
Base-Backbone interact. energy: -0.408
local terms energy: -132.395665
where:
bonds (distance) C4'-P energy: -27.560
bonds (distance) P-C4' energy: -31.364
flat angles C4'-P-C4' energy: -29.048
flat angles P-C4'-P energy: -15.189
tors. eta vs tors. theta energy: -29.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -380.439503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.439503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.439503 (E_RNA)
where:
Base-Base interactions energy: -265.953
where: short stacking energy: -96.976
Base-Backbone interact. energy: -0.089
local terms energy: -114.396908
where:
bonds (distance) C4'-P energy: -30.033
bonds (distance) P-C4' energy: -21.121
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -17.108
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: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -376.484186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.484186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.484186 (E_RNA)
where:
Base-Base interactions energy: -248.774
where: short stacking energy: -107.167
Base-Backbone interact. energy: -0.412
local terms energy: -127.297590
where:
bonds (distance) C4'-P energy: -22.493
bonds (distance) P-C4' energy: -30.132
flat angles C4'-P-C4' energy: -23.489
flat angles P-C4'-P energy: -25.211
tors. eta vs tors. theta energy: -25.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -326.537322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.537322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.537322 (E_RNA)
where:
Base-Base interactions energy: -206.959
where: short stacking energy: -103.749
Base-Backbone interact. energy: -0.069
local terms energy: -119.508780
where:
bonds (distance) C4'-P energy: -21.432
bonds (distance) P-C4' energy: -28.067
flat angles C4'-P-C4' energy: -26.501
flat angles P-C4'-P energy: -18.905
tors. eta vs tors. theta energy: -24.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -231.050887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.050887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.050887 (E_RNA)
where:
Base-Base interactions energy: -124.426
where: short stacking energy: -71.276
Base-Backbone interact. energy: -0.501
local terms energy: -106.124679
where:
bonds (distance) C4'-P energy: -25.480
bonds (distance) P-C4' energy: -26.960
flat angles C4'-P-C4' energy: -24.306
flat angles P-C4'-P energy: -16.576
tors. eta vs tors. theta energy: -12.802
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: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -218.120837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.120837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.120837 (E_RNA)
where:
Base-Base interactions energy: -122.177
where: short stacking energy: -65.099
Base-Backbone interact. energy: -1.051
local terms energy: -94.893398
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -28.045
flat angles C4'-P-C4' energy: -21.273
flat angles P-C4'-P energy: -19.252
tors. eta vs tors. theta energy: -10.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -212.808533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.808533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.808533 (E_RNA)
where:
Base-Base interactions energy: -118.707
where: short stacking energy: -64.468
Base-Backbone interact. energy: -0.769
local terms energy: -93.332480
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -18.817
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -13.527
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: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -139.142978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.142978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.142978 (E_RNA)
where:
Base-Base interactions energy: -57.057
where: short stacking energy: -55.373
Base-Backbone interact. energy: -0.607
local terms energy: -81.478738
where:
bonds (distance) C4'-P energy: -25.190
bonds (distance) P-C4' energy: -25.660
flat angles C4'-P-C4' energy: -19.406
flat angles P-C4'-P energy: -5.753
tors. eta vs tors. theta energy: -5.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -501.659700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.659700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.659700 (E_RNA)
where:
Base-Base interactions energy: -352.482
where: short stacking energy: -152.788
Base-Backbone interact. energy: -0.647
local terms energy: -148.530900
where:
bonds (distance) C4'-P energy: -28.871
bonds (distance) P-C4' energy: -28.571
flat angles C4'-P-C4' energy: -28.469
flat angles P-C4'-P energy: -20.127
tors. eta vs tors. theta energy: -42.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -433.949832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.949832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.949832 (E_RNA)
where:
Base-Base interactions energy: -302.528
where: short stacking energy: -126.456
Base-Backbone interact. energy: -0.044
local terms energy: -131.377719
where:
bonds (distance) C4'-P energy: -23.336
bonds (distance) P-C4' energy: -30.184
flat angles C4'-P-C4' energy: -26.982
flat angles P-C4'-P energy: -16.721
tors. eta vs tors. theta energy: -34.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -391.365406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.365406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.365406 (E_RNA)
where:
Base-Base interactions energy: -275.052
where: short stacking energy: -101.750
Base-Backbone interact. energy: 0.104
local terms energy: -116.417404
where:
bonds (distance) C4'-P energy: -21.195
bonds (distance) P-C4' energy: -31.102
flat angles C4'-P-C4' energy: -28.924
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -19.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -352.733288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.733288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.733288 (E_RNA)
where:
Base-Base interactions energy: -237.450
where: short stacking energy: -119.157
Base-Backbone interact. energy: 1.378
local terms energy: -116.661242
where:
bonds (distance) C4'-P energy: -25.185
bonds (distance) P-C4' energy: -27.471
flat angles C4'-P-C4' energy: -24.072
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -30.353
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: 5, replica: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -360.483933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.483933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.483933 (E_RNA)
where:
Base-Base interactions energy: -242.952
where: short stacking energy: -108.086
Base-Backbone interact. energy: -0.470
local terms energy: -117.061853
where:
bonds (distance) C4'-P energy: -22.374
bonds (distance) P-C4' energy: -23.166
flat angles C4'-P-C4' energy: -25.299
flat angles P-C4'-P energy: -19.773
tors. eta vs tors. theta energy: -26.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -351.372668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.372668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.372668 (E_RNA)
where:
Base-Base interactions energy: -226.131
where: short stacking energy: -106.270
Base-Backbone interact. energy: -0.762
local terms energy: -124.480028
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -30.191
flat angles C4'-P-C4' energy: -25.335
flat angles P-C4'-P energy: -17.767
tors. eta vs tors. theta energy: -32.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -224.372987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.372987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.372987 (E_RNA)
where:
Base-Base interactions energy: -121.988
where: short stacking energy: -70.886
Base-Backbone interact. energy: -0.403
local terms energy: -101.981715
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -24.517
flat angles C4'-P-C4' energy: -30.679
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -11.315
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: 7
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -239.067006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.067006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.067006 (E_RNA)
where:
Base-Base interactions energy: -142.213
where: short stacking energy: -69.533
Base-Backbone interact. energy: -0.240
local terms energy: -96.613948
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -31.694
flat angles C4'-P-C4' energy: -23.542
flat angles P-C4'-P energy: -15.897
tors. eta vs tors. theta energy: -6.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -204.958638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.958638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.958638 (E_RNA)
where:
Base-Base interactions energy: -111.166
where: short stacking energy: -58.099
Base-Backbone interact. energy: -0.371
local terms energy: -93.421328
where:
bonds (distance) C4'-P energy: -23.775
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -25.223
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -7.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -133.548320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.548320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.548320 (E_RNA)
where:
Base-Base interactions energy: -52.487
where: short stacking energy: -44.397
Base-Backbone interact. energy: 1.934
local terms energy: -82.996029
where:
bonds (distance) C4'-P energy: -25.272
bonds (distance) P-C4' energy: -23.099
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -18.478
tors. eta vs tors. theta energy: -5.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -501.488415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.488415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.488415 (E_RNA)
where:
Base-Base interactions energy: -352.319
where: short stacking energy: -136.278
Base-Backbone interact. energy: -0.388
local terms energy: -148.781102
where:
bonds (distance) C4'-P energy: -28.544
bonds (distance) P-C4' energy: -30.526
flat angles C4'-P-C4' energy: -33.357
flat angles P-C4'-P energy: -16.151
tors. eta vs tors. theta energy: -40.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -433.230071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.230071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.230071 (E_RNA)
where:
Base-Base interactions energy: -295.409
where: short stacking energy: -128.666
Base-Backbone interact. energy: 0.068
local terms energy: -137.888986
where:
bonds (distance) C4'-P energy: -32.043
bonds (distance) P-C4' energy: -30.015
flat angles C4'-P-C4' energy: -24.344
flat angles P-C4'-P energy: -18.202
tors. eta vs tors. theta energy: -33.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -390.786151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.786151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.786151 (E_RNA)
where:
Base-Base interactions energy: -262.618
where: short stacking energy: -114.922
Base-Backbone interact. energy: -0.088
local terms energy: -128.080528
where:
bonds (distance) C4'-P energy: -29.105
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -29.876
flat angles P-C4'-P energy: -25.179
tors. eta vs tors. theta energy: -24.230
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: 4, replica: 5
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -357.789849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.789849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.789849 (E_RNA)
where:
Base-Base interactions energy: -232.808
where: short stacking energy: -105.767
Base-Backbone interact. energy: -0.312
local terms energy: -124.670271
where:
bonds (distance) C4'-P energy: -30.069
bonds (distance) P-C4' energy: -23.195
flat angles C4'-P-C4' energy: -30.358
flat angles P-C4'-P energy: -19.432
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: 5, replica: 2
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -322.899550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.899550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.899550 (E_RNA)
where:
Base-Base interactions energy: -203.435
where: short stacking energy: -98.852
Base-Backbone interact. energy: -0.212
local terms energy: -119.252066
where:
bonds (distance) C4'-P energy: -20.201
bonds (distance) P-C4' energy: -24.771
flat angles C4'-P-C4' energy: -30.496
flat angles P-C4'-P energy: -16.637
tors. eta vs tors. theta energy: -27.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -309.120514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.120514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.120514 (E_RNA)
where:
Base-Base interactions energy: -206.227
where: short stacking energy: -104.515
Base-Backbone interact. energy: -0.211
local terms energy: -102.682983
where:
bonds (distance) C4'-P energy: -25.104
bonds (distance) P-C4' energy: -26.366
flat angles C4'-P-C4' energy: -19.266
flat angles P-C4'-P energy: -10.966
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: 7, replica: 10
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -232.924034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.924034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.924034 (E_RNA)
where:
Base-Base interactions energy: -131.049
where: short stacking energy: -85.601
Base-Backbone interact. energy: 0.405
local terms energy: -102.279194
where:
bonds (distance) C4'-P energy: -21.640
bonds (distance) P-C4' energy: -22.142
flat angles C4'-P-C4' energy: -26.466
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -17.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -224.569162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.569162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.569162 (E_RNA)
where:
Base-Base interactions energy: -134.047
where: short stacking energy: -76.923
Base-Backbone interact. energy: 0.733
local terms energy: -91.255783
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -26.021
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -13.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -212.887996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.887996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.887996 (E_RNA)
where:
Base-Base interactions energy: -107.288
where: short stacking energy: -59.937
Base-Backbone interact. energy: -0.377
local terms energy: -105.223164
where:
bonds (distance) C4'-P energy: -27.919
bonds (distance) P-C4' energy: -29.586
flat angles C4'-P-C4' energy: -27.158
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -9.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -128.672098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.672098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.672098 (E_RNA)
where:
Base-Base interactions energy: -49.028
where: short stacking energy: -44.660
Base-Backbone interact. energy: 2.189
local terms energy: -81.832989
where:
bonds (distance) C4'-P energy: -25.705
bonds (distance) P-C4' energy: -26.037
flat angles C4'-P-C4' energy: -22.675
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: 3.014
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: 6
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -512.517490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.517490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.517490 (E_RNA)
where:
Base-Base interactions energy: -355.366
where: short stacking energy: -144.154
Base-Backbone interact. energy: -0.713
local terms energy: -156.439131
where:
bonds (distance) C4'-P energy: -26.569
bonds (distance) P-C4' energy: -30.632
flat angles C4'-P-C4' energy: -32.279
flat angles P-C4'-P energy: -26.228
tors. eta vs tors. theta energy: -40.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -424.650246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.650246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.650246 (E_RNA)
where:
Base-Base interactions energy: -293.177
where: short stacking energy: -118.776
Base-Backbone interact. energy: -0.437
local terms energy: -131.036509
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -25.557
flat angles C4'-P-C4' energy: -31.836
flat angles P-C4'-P energy: -19.470
tors. eta vs tors. theta energy: -30.966
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: 3, replica: 5
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -387.767123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.767123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.767123 (E_RNA)
where:
Base-Base interactions energy: -253.951
where: short stacking energy: -119.594
Base-Backbone interact. energy: -1.735
local terms energy: -132.081045
where:
bonds (distance) C4'-P energy: -28.715
bonds (distance) P-C4' energy: -26.404
flat angles C4'-P-C4' energy: -28.962
flat angles P-C4'-P energy: -19.607
tors. eta vs tors. theta energy: -28.394
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: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -366.722924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.722924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.722924 (E_RNA)
where:
Base-Base interactions energy: -246.862
where: short stacking energy: -102.243
Base-Backbone interact. energy: -0.461
local terms energy: -119.400011
where:
bonds (distance) C4'-P energy: -28.682
bonds (distance) P-C4' energy: -27.147
flat angles C4'-P-C4' energy: -31.834
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -18.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -322.420501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.420501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.420501 (E_RNA)
where:
Base-Base interactions energy: -194.136
where: short stacking energy: -95.774
Base-Backbone interact. energy: -0.546
local terms energy: -127.738762
where:
bonds (distance) C4'-P energy: -25.565
bonds (distance) P-C4' energy: -28.212
flat angles C4'-P-C4' energy: -24.838
flat angles P-C4'-P energy: -25.241
tors. eta vs tors. theta energy: -23.884
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: 6, replica: 8
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -306.519078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.519078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.519078 (E_RNA)
where:
Base-Base interactions energy: -188.534
where: short stacking energy: -103.088
Base-Backbone interact. energy: -0.657
local terms energy: -117.327907
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -30.298
flat angles C4'-P-C4' energy: -29.178
flat angles P-C4'-P energy: -17.297
tors. eta vs tors. theta energy: -22.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -226.157394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.157394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.157394 (E_RNA)
where:
Base-Base interactions energy: -123.184
where: short stacking energy: -70.943
Base-Backbone interact. energy: 0.665
local terms energy: -103.638075
where:
bonds (distance) C4'-P energy: -22.209
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -25.153
flat angles P-C4'-P energy: -17.485
tors. eta vs tors. theta energy: -12.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -214.447437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.447437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.447437 (E_RNA)
where:
Base-Base interactions energy: -116.237
where: short stacking energy: -60.826
Base-Backbone interact. energy: 0.796
local terms energy: -99.006408
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -30.203
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -12.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -217.367154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.367154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.367154 (E_RNA)
where:
Base-Base interactions energy: -119.914
where: short stacking energy: -67.027
Base-Backbone interact. energy: -0.108
local terms energy: -97.345418
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -24.614
flat angles C4'-P-C4' energy: -24.110
flat angles P-C4'-P energy: -19.355
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: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -156.781088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.781088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.781088 (E_RNA)
where:
Base-Base interactions energy: -72.459
where: short stacking energy: -47.693
Base-Backbone interact. energy: -0.680
local terms energy: -83.642082
where:
bonds (distance) C4'-P energy: -31.017
bonds (distance) P-C4' energy: -20.692
flat angles C4'-P-C4' energy: -19.615
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -6.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -506.685091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.685091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.685091 (E_RNA)
where:
Base-Base interactions energy: -349.657
where: short stacking energy: -156.391
Base-Backbone interact. energy: -0.261
local terms energy: -156.766845
where:
bonds (distance) C4'-P energy: -31.659
bonds (distance) P-C4' energy: -28.318
flat angles C4'-P-C4' energy: -30.021
flat angles P-C4'-P energy: -25.153
tors. eta vs tors. theta energy: -41.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -438.055190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.055190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.055190 (E_RNA)
where:
Base-Base interactions energy: -301.620
where: short stacking energy: -123.315
Base-Backbone interact. energy: -0.270
local terms energy: -136.165702
where:
bonds (distance) C4'-P energy: -25.710
bonds (distance) P-C4' energy: -25.538
flat angles C4'-P-C4' energy: -30.879
flat angles P-C4'-P energy: -20.981
tors. eta vs tors. theta energy: -33.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -401.208613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.208613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.208613 (E_RNA)
where:
Base-Base interactions energy: -274.364
where: short stacking energy: -114.151
Base-Backbone interact. energy: 0.196
local terms energy: -127.040707
where:
bonds (distance) C4'-P energy: -28.106
bonds (distance) P-C4' energy: -28.297
flat angles C4'-P-C4' energy: -29.039
flat angles P-C4'-P energy: -18.278
tors. eta vs tors. theta energy: -23.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -328.408616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.408616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.408616 (E_RNA)
where:
Base-Base interactions energy: -203.761
where: short stacking energy: -104.726
Base-Backbone interact. energy: -0.782
local terms energy: -123.865426
where:
bonds (distance) C4'-P energy: -33.914
bonds (distance) P-C4' energy: -25.090
flat angles C4'-P-C4' energy: -25.195
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -22.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -359.887424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.887424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.887424 (E_RNA)
where:
Base-Base interactions energy: -248.396
where: short stacking energy: -108.579
Base-Backbone interact. energy: -0.262
local terms energy: -111.229428
where:
bonds (distance) C4'-P energy: -22.876
bonds (distance) P-C4' energy: -24.087
flat angles C4'-P-C4' energy: -27.935
flat angles P-C4'-P energy: -15.097
tors. eta vs tors. theta energy: -21.233
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: 6, replica: 8
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -334.870917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.870917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.870917 (E_RNA)
where:
Base-Base interactions energy: -219.573
where: short stacking energy: -87.522
Base-Backbone interact. energy: 1.968
local terms energy: -117.266489
where:
bonds (distance) C4'-P energy: -27.921
bonds (distance) P-C4' energy: -29.384
flat angles C4'-P-C4' energy: -30.937
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -18.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -242.791333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.791333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.791333 (E_RNA)
where:
Base-Base interactions energy: -136.223
where: short stacking energy: -86.212
Base-Backbone interact. energy: -0.675
local terms energy: -105.892792
where:
bonds (distance) C4'-P energy: -28.009
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -24.425
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -23.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -227.112271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.112271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.112271 (E_RNA)
where:
Base-Base interactions energy: -137.735
where: short stacking energy: -70.962
Base-Backbone interact. energy: 0.911
local terms energy: -90.287642
where:
bonds (distance) C4'-P energy: -23.133
bonds (distance) P-C4' energy: -28.401
flat angles C4'-P-C4' energy: -20.590
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -8.843
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: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -226.194985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.194985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.194985 (E_RNA)
where:
Base-Base interactions energy: -133.939
where: short stacking energy: -72.270
Base-Backbone interact. energy: 2.715
local terms energy: -94.970159
where:
bonds (distance) C4'-P energy: -21.084
bonds (distance) P-C4' energy: -30.435
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -11.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -138.235277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.235277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.235277 (E_RNA)
where:
Base-Base interactions energy: -46.695
where: short stacking energy: -36.492
Base-Backbone interact. energy: -0.875
local terms energy: -90.665213
where:
bonds (distance) C4'-P energy: -24.529
bonds (distance) P-C4' energy: -26.678
flat angles C4'-P-C4' energy: -24.099
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -5.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -500.861727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.861727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.861727 (E_RNA)
where:
Base-Base interactions energy: -345.740
where: short stacking energy: -154.580
Base-Backbone interact. energy: -0.325
local terms energy: -154.796438
where:
bonds (distance) C4'-P energy: -29.618
bonds (distance) P-C4' energy: -26.834
flat angles C4'-P-C4' energy: -33.943
flat angles P-C4'-P energy: -19.104
tors. eta vs tors. theta energy: -45.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -445.177275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.177275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.177275 (E_RNA)
where:
Base-Base interactions energy: -312.586
where: short stacking energy: -128.723
Base-Backbone interact. energy: -0.391
local terms energy: -132.200492
where:
bonds (distance) C4'-P energy: -28.818
bonds (distance) P-C4' energy: -25.979
flat angles C4'-P-C4' energy: -31.227
flat angles P-C4'-P energy: -17.468
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: 3, replica: 5
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -415.452145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.452145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.452145 (E_RNA)
where:
Base-Base interactions energy: -290.190
where: short stacking energy: -114.476
Base-Backbone interact. energy: -0.029
local terms energy: -125.233087
where:
bonds (distance) C4'-P energy: -23.237
bonds (distance) P-C4' energy: -29.836
flat angles C4'-P-C4' energy: -25.547
flat angles P-C4'-P energy: -16.745
tors. eta vs tors. theta energy: -29.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -301.248144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.248144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.248144 (E_RNA)
where:
Base-Base interactions energy: -188.746
where: short stacking energy: -97.563
Base-Backbone interact. energy: -0.626
local terms energy: -111.876673
where:
bonds (distance) C4'-P energy: -22.339
bonds (distance) P-C4' energy: -24.262
flat angles C4'-P-C4' energy: -26.688
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -24.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -340.164388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.164388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.164388 (E_RNA)
where:
Base-Base interactions energy: -211.621
where: short stacking energy: -99.739
Base-Backbone interact. energy: -0.485
local terms energy: -128.057503
where:
bonds (distance) C4'-P energy: -24.687
bonds (distance) P-C4' energy: -28.229
flat angles C4'-P-C4' energy: -31.996
flat angles P-C4'-P energy: -17.273
tors. eta vs tors. theta energy: -25.874
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: 24
Temperature: 1.150000
Total energy: -347.345566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.345566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.345566 (E_RNA)
where:
Base-Base interactions energy: -221.969
where: short stacking energy: -102.472
Base-Backbone interact. energy: -0.074
local terms energy: -125.302949
where:
bonds (distance) C4'-P energy: -29.534
bonds (distance) P-C4' energy: -30.679
flat angles C4'-P-C4' energy: -26.038
flat angles P-C4'-P energy: -14.497
tors. eta vs tors. theta energy: -24.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -248.835561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.835561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.835561 (E_RNA)
where:
Base-Base interactions energy: -151.930
where: short stacking energy: -84.942
Base-Backbone interact. energy: 0.620
local terms energy: -97.525348
where:
bonds (distance) C4'-P energy: -30.023
bonds (distance) P-C4' energy: -26.231
flat angles C4'-P-C4' energy: -22.080
flat angles P-C4'-P energy: -5.246
tors. eta vs tors. theta energy: -13.946
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: 8, replica: 4
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -275.201290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.201290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.201290 (E_RNA)
where:
Base-Base interactions energy: -164.715
where: short stacking energy: -73.779
Base-Backbone interact. energy: 1.235
local terms energy: -111.721069
where:
bonds (distance) C4'-P energy: -22.599
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -32.406
flat angles P-C4'-P energy: -18.491
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: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -233.654903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.654903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.654903 (E_RNA)
where:
Base-Base interactions energy: -127.830
where: short stacking energy: -73.730
Base-Backbone interact. energy: -1.066
local terms energy: -104.758989
where:
bonds (distance) C4'-P energy: -24.211
bonds (distance) P-C4' energy: -28.107
flat angles C4'-P-C4' energy: -23.120
flat angles P-C4'-P energy: -14.440
tors. eta vs tors. theta energy: -14.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -140.981022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.981022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.981022 (E_RNA)
where:
Base-Base interactions energy: -42.254
where: short stacking energy: -34.094
Base-Backbone interact. energy: -1.183
local terms energy: -97.544623
where:
bonds (distance) C4'-P energy: -30.025
bonds (distance) P-C4' energy: -32.556
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -498.437785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.437785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.437785 (E_RNA)
where:
Base-Base interactions energy: -352.739
where: short stacking energy: -147.741
Base-Backbone interact. energy: -1.057
local terms energy: -144.641544
where:
bonds (distance) C4'-P energy: -27.796
bonds (distance) P-C4' energy: -33.021
flat angles C4'-P-C4' energy: -26.004
flat angles P-C4'-P energy: -17.207
tors. eta vs tors. theta energy: -40.614
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: 2, replica: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -426.256744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.256744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.256744 (E_RNA)
where:
Base-Base interactions energy: -298.138
where: short stacking energy: -121.441
Base-Backbone interact. energy: -1.100
local terms energy: -127.018627
where:
bonds (distance) C4'-P energy: -28.466
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -27.898
flat angles P-C4'-P energy: -15.732
tors. eta vs tors. theta energy: -31.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -417.746654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.746654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.746654 (E_RNA)
where:
Base-Base interactions energy: -301.118
where: short stacking energy: -111.877
Base-Backbone interact. energy: -0.063
local terms energy: -116.565857
where:
bonds (distance) C4'-P energy: -22.307
bonds (distance) P-C4' energy: -24.440
flat angles C4'-P-C4' energy: -22.762
flat angles P-C4'-P energy: -18.945
tors. eta vs tors. theta energy: -28.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -387.043665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.043665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.043665 (E_RNA)
where:
Base-Base interactions energy: -246.222
where: short stacking energy: -116.381
Base-Backbone interact. energy: -0.132
local terms energy: -140.689535
where:
bonds (distance) C4'-P energy: -27.447
bonds (distance) P-C4' energy: -27.749
flat angles C4'-P-C4' energy: -28.251
flat angles P-C4'-P energy: -24.979
tors. eta vs tors. theta energy: -32.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -336.186234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.186234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.186234 (E_RNA)
where:
Base-Base interactions energy: -207.792
where: short stacking energy: -96.579
Base-Backbone interact. energy: -1.307
local terms energy: -127.087043
where:
bonds (distance) C4'-P energy: -27.367
bonds (distance) P-C4' energy: -24.456
flat angles C4'-P-C4' energy: -26.272
flat angles P-C4'-P energy: -16.663
tors. eta vs tors. theta energy: -32.328
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: 3
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -364.527459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.527459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.527459 (E_RNA)
where:
Base-Base interactions energy: -242.155
where: short stacking energy: -99.338
Base-Backbone interact. energy: -0.053
local terms energy: -122.319680
where:
bonds (distance) C4'-P energy: -27.072
bonds (distance) P-C4' energy: -26.813
flat angles C4'-P-C4' energy: -24.045
flat angles P-C4'-P energy: -19.310
tors. eta vs tors. theta energy: -25.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -261.429878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.429878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.429878 (E_RNA)
where:
Base-Base interactions energy: -155.460
where: short stacking energy: -86.160
Base-Backbone interact. energy: -0.256
local terms energy: -105.714362
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -28.668
flat angles C4'-P-C4' energy: -26.814
flat angles P-C4'-P energy: -16.078
tors. eta vs tors. theta energy: -18.396
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: 8, replica: 4
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -272.853817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.853817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.853817 (E_RNA)
where:
Base-Base interactions energy: -170.570
where: short stacking energy: -81.913
Base-Backbone interact. energy: 0.787
local terms energy: -103.070198
where:
bonds (distance) C4'-P energy: -22.892
bonds (distance) P-C4' energy: -23.146
flat angles C4'-P-C4' energy: -25.069
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -20.503
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: 25
Temperature: 1.300000
Total energy: -216.222889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.222889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.222889 (E_RNA)
where:
Base-Base interactions energy: -114.124
where: short stacking energy: -60.949
Base-Backbone interact. energy: -0.725
local terms energy: -101.374346
where:
bonds (distance) C4'-P energy: -21.503
bonds (distance) P-C4' energy: -26.353
flat angles C4'-P-C4' energy: -27.006
flat angles P-C4'-P energy: -17.380
tors. eta vs tors. theta energy: -9.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -136.915016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.915016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.915016 (E_RNA)
where:
Base-Base interactions energy: -59.222
where: short stacking energy: -40.942
Base-Backbone interact. energy: 2.730
local terms energy: -80.423042
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -26.860
flat angles C4'-P-C4' energy: -26.898
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: -2.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -512.099503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.099503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.099503 (E_RNA)
where:
Base-Base interactions energy: -359.998
where: short stacking energy: -148.420
Base-Backbone interact. energy: -0.511
local terms energy: -151.590457
where:
bonds (distance) C4'-P energy: -30.457
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -28.518
flat angles P-C4'-P energy: -23.013
tors. eta vs tors. theta energy: -40.974
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: 1
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -453.384548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.384548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.384548 (E_RNA)
where:
Base-Base interactions energy: -309.856
where: short stacking energy: -137.559
Base-Backbone interact. energy: -0.180
local terms energy: -143.348610
where:
bonds (distance) C4'-P energy: -25.391
bonds (distance) P-C4' energy: -26.324
flat angles C4'-P-C4' energy: -33.807
flat angles P-C4'-P energy: -23.292
tors. eta vs tors. theta energy: -34.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -400.167083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.167083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.167083 (E_RNA)
where:
Base-Base interactions energy: -250.802
where: short stacking energy: -120.673
Base-Backbone interact. energy: 0.355
local terms energy: -149.720388
where:
bonds (distance) C4'-P energy: -30.052
bonds (distance) P-C4' energy: -26.814
flat angles C4'-P-C4' energy: -31.289
flat angles P-C4'-P energy: -26.625
tors. eta vs tors. theta energy: -34.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -414.295858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.295858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.295858 (E_RNA)
where:
Base-Base interactions energy: -279.538
where: short stacking energy: -124.827
Base-Backbone interact. energy: -0.559
local terms energy: -134.199114
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -29.601
flat angles C4'-P-C4' energy: -28.793
flat angles P-C4'-P energy: -22.806
tors. eta vs tors. theta energy: -33.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -353.585114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.585114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.585114 (E_RNA)
where:
Base-Base interactions energy: -242.811
where: short stacking energy: -99.873
Base-Backbone interact. energy: -1.491
local terms energy: -109.283067
where:
bonds (distance) C4'-P energy: -22.441
bonds (distance) P-C4' energy: -25.411
flat angles C4'-P-C4' energy: -22.017
flat angles P-C4'-P energy: -21.898
tors. eta vs tors. theta energy: -17.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -386.201655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.201655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.201655 (E_RNA)
where:
Base-Base interactions energy: -247.714
where: short stacking energy: -114.084
Base-Backbone interact. energy: -1.147
local terms energy: -137.340458
where:
bonds (distance) C4'-P energy: -28.389
bonds (distance) P-C4' energy: -29.732
flat angles C4'-P-C4' energy: -28.436
flat angles P-C4'-P energy: -19.826
tors. eta vs tors. theta energy: -30.957
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: 4
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -253.572092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.572092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.572092 (E_RNA)
where:
Base-Base interactions energy: -148.131
where: short stacking energy: -83.410
Base-Backbone interact. energy: -0.116
local terms energy: -105.324993
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -28.866
flat angles C4'-P-C4' energy: -26.010
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -15.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -237.597180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.597180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.597180 (E_RNA)
where:
Base-Base interactions energy: -126.442
where: short stacking energy: -68.525
Base-Backbone interact. energy: -0.315
local terms energy: -110.839473
where:
bonds (distance) C4'-P energy: -22.890
bonds (distance) P-C4' energy: -32.581
flat angles C4'-P-C4' energy: -27.148
flat angles P-C4'-P energy: -17.945
tors. eta vs tors. theta energy: -10.274
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: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -206.745412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.745412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.745412 (E_RNA)
where:
Base-Base interactions energy: -133.481
where: short stacking energy: -59.742
Base-Backbone interact. energy: -1.886
local terms energy: -71.378908
where:
bonds (distance) C4'-P energy: -20.878
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -19.114
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -6.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -137.754658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.754658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.754658 (E_RNA)
where:
Base-Base interactions energy: -50.160
where: short stacking energy: -48.923
Base-Backbone interact. energy: -1.610
local terms energy: -85.984632
where:
bonds (distance) C4'-P energy: -23.388
bonds (distance) P-C4' energy: -23.355
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -15.168
tors. eta vs tors. theta energy: -9.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -507.813021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.813021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.813021 (E_RNA)
where:
Base-Base interactions energy: -352.988
where: short stacking energy: -151.097
Base-Backbone interact. energy: -0.452
local terms energy: -154.372424
where:
bonds (distance) C4'-P energy: -24.524
bonds (distance) P-C4' energy: -30.773
flat angles C4'-P-C4' energy: -32.477
flat angles P-C4'-P energy: -24.301
tors. eta vs tors. theta energy: -42.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -449.303437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.303437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.303437 (E_RNA)
where:
Base-Base interactions energy: -316.286
where: short stacking energy: -128.117
Base-Backbone interact. energy: -0.163
local terms energy: -132.854815
where:
bonds (distance) C4'-P energy: -25.881
bonds (distance) P-C4' energy: -27.759
flat angles C4'-P-C4' energy: -30.933
flat angles P-C4'-P energy: -18.837
tors. eta vs tors. theta energy: -29.444
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: 8
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -417.658391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.658391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.658391 (E_RNA)
where:
Base-Base interactions energy: -264.902
where: short stacking energy: -135.287
Base-Backbone interact. energy: -0.191
local terms energy: -152.565838
where:
bonds (distance) C4'-P energy: -31.356
bonds (distance) P-C4' energy: -26.774
flat angles C4'-P-C4' energy: -34.332
flat angles P-C4'-P energy: -19.148
tors. eta vs tors. theta energy: -40.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -395.126762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.126762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.126762 (E_RNA)
where:
Base-Base interactions energy: -277.015
where: short stacking energy: -118.189
Base-Backbone interact. energy: -0.934
local terms energy: -117.177194
where:
bonds (distance) C4'-P energy: -25.158
bonds (distance) P-C4' energy: -26.998
flat angles C4'-P-C4' energy: -23.461
flat angles P-C4'-P energy: -15.181
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: 5, replica: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -404.304464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.304464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.304464 (E_RNA)
where:
Base-Base interactions energy: -273.465
where: short stacking energy: -107.419
Base-Backbone interact. energy: -0.447
local terms energy: -130.392979
where:
bonds (distance) C4'-P energy: -23.331
bonds (distance) P-C4' energy: -24.976
flat angles C4'-P-C4' energy: -29.632
flat angles P-C4'-P energy: -23.444
tors. eta vs tors. theta energy: -29.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -350.585834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.585834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.585834 (E_RNA)
where:
Base-Base interactions energy: -220.326
where: short stacking energy: -95.777
Base-Backbone interact. energy: -1.179
local terms energy: -129.079891
where:
bonds (distance) C4'-P energy: -23.089
bonds (distance) P-C4' energy: -26.437
flat angles C4'-P-C4' energy: -30.036
flat angles P-C4'-P energy: -19.655
tors. eta vs tors. theta energy: -29.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -273.852384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.852384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.852384 (E_RNA)
where:
Base-Base interactions energy: -157.003
where: short stacking energy: -83.701
Base-Backbone interact. energy: -0.325
local terms energy: -116.524038
where:
bonds (distance) C4'-P energy: -28.583
bonds (distance) P-C4' energy: -31.199
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -16.523
tors. eta vs tors. theta energy: -16.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -234.739425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.739425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.739425 (E_RNA)
where:
Base-Base interactions energy: -128.575
where: short stacking energy: -62.375
Base-Backbone interact. energy: -0.386
local terms energy: -105.778357
where:
bonds (distance) C4'-P energy: -24.942
bonds (distance) P-C4' energy: -25.896
flat angles C4'-P-C4' energy: -25.993
flat angles P-C4'-P energy: -19.818
tors. eta vs tors. theta energy: -9.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -151.258475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.258475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.258475 (E_RNA)
where:
Base-Base interactions energy: -58.023
where: short stacking energy: -52.871
Base-Backbone interact. energy: -0.914
local terms energy: -92.321057
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -27.683
flat angles C4'-P-C4' energy: -25.182
flat angles P-C4'-P energy: -19.923
tors. eta vs tors. theta energy: -6.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -131.939268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.939268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.939268 (E_RNA)
where:
Base-Base interactions energy: -47.644
where: short stacking energy: -37.127
Base-Backbone interact. energy: -0.571
local terms energy: -83.724147
where:
bonds (distance) C4'-P energy: -16.837
bonds (distance) P-C4' energy: -24.836
flat angles C4'-P-C4' energy: -25.718
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -0.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -503.929949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.929949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.929949 (E_RNA)
where:
Base-Base interactions energy: -357.815
where: short stacking energy: -149.254
Base-Backbone interact. energy: -0.662
local terms energy: -145.452659
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -33.390
flat angles C4'-P-C4' energy: -31.352
flat angles P-C4'-P energy: -19.556
tors. eta vs tors. theta energy: -40.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -453.751953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.751953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.751953 (E_RNA)
where:
Base-Base interactions energy: -309.832
where: short stacking energy: -118.531
Base-Backbone interact. energy: 0.766
local terms energy: -144.686112
where:
bonds (distance) C4'-P energy: -29.398
bonds (distance) P-C4' energy: -34.775
flat angles C4'-P-C4' energy: -31.210
flat angles P-C4'-P energy: -17.989
tors. eta vs tors. theta energy: -31.314
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: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -407.906459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.906459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.906459 (E_RNA)
where:
Base-Base interactions energy: -265.660
where: short stacking energy: -115.155
Base-Backbone interact. energy: -2.013
local terms energy: -140.232713
where:
bonds (distance) C4'-P energy: -29.882
bonds (distance) P-C4' energy: -28.548
flat angles C4'-P-C4' energy: -28.334
flat angles P-C4'-P energy: -22.089
tors. eta vs tors. theta energy: -31.380
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: 8
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -398.781954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.781954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.781954 (E_RNA)
where:
Base-Base interactions energy: -259.189
where: short stacking energy: -130.103
Base-Backbone interact. energy: -0.394
local terms energy: -139.199446
where:
bonds (distance) C4'-P energy: -25.059
bonds (distance) P-C4' energy: -27.527
flat angles C4'-P-C4' energy: -31.370
flat angles P-C4'-P energy: -17.446
tors. eta vs tors. theta energy: -37.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -396.950612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.950612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.950612 (E_RNA)
where:
Base-Base interactions energy: -277.355
where: short stacking energy: -109.733
Base-Backbone interact. energy: -0.748
local terms energy: -118.847030
where:
bonds (distance) C4'-P energy: -21.753
bonds (distance) P-C4' energy: -24.520
flat angles C4'-P-C4' energy: -25.355
flat angles P-C4'-P energy: -23.616
tors. eta vs tors. theta energy: -23.603
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: 2
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -335.229146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.229146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.229146 (E_RNA)
where:
Base-Base interactions energy: -221.011
where: short stacking energy: -99.843
Base-Backbone interact. energy: -0.217
local terms energy: -114.000788
where:
bonds (distance) C4'-P energy: -19.303
bonds (distance) P-C4' energy: -24.955
flat angles C4'-P-C4' energy: -27.229
flat angles P-C4'-P energy: -21.549
tors. eta vs tors. theta energy: -20.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -281.148629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.148629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.148629 (E_RNA)
where:
Base-Base interactions energy: -167.661
where: short stacking energy: -75.542
Base-Backbone interact. energy: -0.136
local terms energy: -113.351784
where:
bonds (distance) C4'-P energy: -23.796
bonds (distance) P-C4' energy: -28.585
flat angles C4'-P-C4' energy: -24.534
flat angles P-C4'-P energy: -20.417
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: 8, replica: 7
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -233.561078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.561078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.561078 (E_RNA)
where:
Base-Base interactions energy: -124.964
where: short stacking energy: -74.648
Base-Backbone interact. energy: 0.613
local terms energy: -109.210050
where:
bonds (distance) C4'-P energy: -19.823
bonds (distance) P-C4' energy: -29.502
flat angles C4'-P-C4' energy: -24.516
flat angles P-C4'-P energy: -17.641
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: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -160.627535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.627535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.627535 (E_RNA)
where:
Base-Base interactions energy: -64.917
where: short stacking energy: -62.947
Base-Backbone interact. energy: -0.096
local terms energy: -95.614295
where:
bonds (distance) C4'-P energy: -23.946
bonds (distance) P-C4' energy: -25.233
flat angles C4'-P-C4' energy: -20.341
flat angles P-C4'-P energy: -19.575
tors. eta vs tors. theta energy: -6.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -142.844979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.844979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.844979 (E_RNA)
where:
Base-Base interactions energy: -62.060
where: short stacking energy: -39.984
Base-Backbone interact. energy: -2.390
local terms energy: -78.395071
where:
bonds (distance) C4'-P energy: -19.019
bonds (distance) P-C4' energy: -21.758
flat angles C4'-P-C4' energy: -19.236
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -6.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -505.905547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.905547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.905547 (E_RNA)
where:
Base-Base interactions energy: -344.244
where: short stacking energy: -148.991
Base-Backbone interact. energy: -0.219
local terms energy: -161.442704
where:
bonds (distance) C4'-P energy: -25.627
bonds (distance) P-C4' energy: -33.040
flat angles C4'-P-C4' energy: -35.979
flat angles P-C4'-P energy: -25.583
tors. eta vs tors. theta energy: -41.214
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: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -431.681623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.681623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.681623 (E_RNA)
where:
Base-Base interactions energy: -290.146
where: short stacking energy: -127.143
Base-Backbone interact. energy: -0.426
local terms energy: -141.109720
where:
bonds (distance) C4'-P energy: -27.461
bonds (distance) P-C4' energy: -28.755
flat angles C4'-P-C4' energy: -29.813
flat angles P-C4'-P energy: -19.984
tors. eta vs tors. theta energy: -35.097
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: 29
Temperature: 1.000000
Total energy: -458.057638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.057638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.057638 (E_RNA)
where:
Base-Base interactions energy: -313.773
where: short stacking energy: -126.018
Base-Backbone interact. energy: -0.183
local terms energy: -144.101797
where:
bonds (distance) C4'-P energy: -30.588
bonds (distance) P-C4' energy: -30.305
flat angles C4'-P-C4' energy: -33.354
flat angles P-C4'-P energy: -19.651
tors. eta vs tors. theta energy: -30.204
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: 8
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -409.848279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.848279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.848279 (E_RNA)
where:
Base-Base interactions energy: -260.122
where: short stacking energy: -127.126
Base-Backbone interact. energy: -0.877
local terms energy: -148.849092
where:
bonds (distance) C4'-P energy: -30.725
bonds (distance) P-C4' energy: -31.344
flat angles C4'-P-C4' energy: -29.193
flat angles P-C4'-P energy: -21.511
tors. eta vs tors. theta energy: -36.076
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: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -408.694969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.694969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.694969 (E_RNA)
where:
Base-Base interactions energy: -283.025
where: short stacking energy: -118.091
Base-Backbone interact. energy: 0.290
local terms energy: -125.959303
where:
bonds (distance) C4'-P energy: -25.807
bonds (distance) P-C4' energy: -28.379
flat angles C4'-P-C4' energy: -29.784
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -30.879
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: 2
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -339.339462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.339462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.339462 (E_RNA)
where:
Base-Base interactions energy: -216.920
where: short stacking energy: -94.572
Base-Backbone interact. energy: -0.867
local terms energy: -121.552225
where:
bonds (distance) C4'-P energy: -25.427
bonds (distance) P-C4' energy: -30.939
flat angles C4'-P-C4' energy: -23.304
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -30.311
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: 29
Temperature: 1.200000
Total energy: -245.944443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.944443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.944443 (E_RNA)
where:
Base-Base interactions energy: -141.933
where: short stacking energy: -72.516
Base-Backbone interact. energy: -0.337
local terms energy: -103.674251
where:
bonds (distance) C4'-P energy: -23.509
bonds (distance) P-C4' energy: -30.322
flat angles C4'-P-C4' energy: -23.854
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -10.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -222.210542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.210542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.210542 (E_RNA)
where:
Base-Base interactions energy: -130.267
where: short stacking energy: -73.927
Base-Backbone interact. energy: -0.473
local terms energy: -91.470775
where:
bonds (distance) C4'-P energy: -28.781
bonds (distance) P-C4' energy: -20.924
flat angles C4'-P-C4' energy: -24.720
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -4.994
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: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -136.087946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.087946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.087946 (E_RNA)
where:
Base-Base interactions energy: -50.564
where: short stacking energy: -30.898
Base-Backbone interact. energy: -0.645
local terms energy: -84.878649
where:
bonds (distance) C4'-P energy: -23.742
bonds (distance) P-C4' energy: -18.191
flat angles C4'-P-C4' energy: -27.265
flat angles P-C4'-P energy: -15.305
tors. eta vs tors. theta energy: -0.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -141.064172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.064172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.064172 (E_RNA)
where:
Base-Base interactions energy: -62.853
where: short stacking energy: -53.207
Base-Backbone interact. energy: -0.160
local terms energy: -78.051340
where:
bonds (distance) C4'-P energy: -25.733
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -24.449
flat angles P-C4'-P energy: -11.293
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: 1, replica: 6
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -499.177075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.177075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.177075 (E_RNA)
where:
Base-Base interactions energy: -361.229
where: short stacking energy: -142.354
Base-Backbone interact. energy: 0.820
local terms energy: -138.767848
where:
bonds (distance) C4'-P energy: -27.074
bonds (distance) P-C4' energy: -28.411
flat angles C4'-P-C4' energy: -30.307
flat angles P-C4'-P energy: -16.695
tors. eta vs tors. theta energy: -36.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -413.537512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.537512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.537512 (E_RNA)
where:
Base-Base interactions energy: -274.495
where: short stacking energy: -114.844
Base-Backbone interact. energy: -1.006
local terms energy: -138.036057
where:
bonds (distance) C4'-P energy: -31.764
bonds (distance) P-C4' energy: -26.577
flat angles C4'-P-C4' energy: -29.702
flat angles P-C4'-P energy: -20.002
tors. eta vs tors. theta energy: -29.990
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: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -472.761180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.761180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.761180 (E_RNA)
where:
Base-Base interactions energy: -324.379
where: short stacking energy: -134.970
Base-Backbone interact. energy: -1.175
local terms energy: -147.207739
where:
bonds (distance) C4'-P energy: -30.444
bonds (distance) P-C4' energy: -31.261
flat angles C4'-P-C4' energy: -27.715
flat angles P-C4'-P energy: -18.091
tors. eta vs tors. theta energy: -39.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -412.747662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.747662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.747662 (E_RNA)
where:
Base-Base interactions energy: -269.037
where: short stacking energy: -135.727
Base-Backbone interact. energy: -0.331
local terms energy: -143.378762
where:
bonds (distance) C4'-P energy: -25.974
bonds (distance) P-C4' energy: -25.694
flat angles C4'-P-C4' energy: -29.806
flat angles P-C4'-P energy: -23.859
tors. eta vs tors. theta energy: -38.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -371.706714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.706714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.706714 (E_RNA)
where:
Base-Base interactions energy: -250.967
where: short stacking energy: -113.725
Base-Backbone interact. energy: -0.331
local terms energy: -120.408732
where:
bonds (distance) C4'-P energy: -22.328
bonds (distance) P-C4' energy: -23.830
flat angles C4'-P-C4' energy: -26.178
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: -29.220
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: 6, replica: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -350.810795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.810795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.810795 (E_RNA)
where:
Base-Base interactions energy: -235.750
where: short stacking energy: -89.766
Base-Backbone interact. energy: -0.501
local terms energy: -114.559739
where:
bonds (distance) C4'-P energy: -23.512
bonds (distance) P-C4' energy: -21.594
flat angles C4'-P-C4' energy: -22.790
flat angles P-C4'-P energy: -17.050
tors. eta vs tors. theta energy: -29.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -247.142155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.142155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.142155 (E_RNA)
where:
Base-Base interactions energy: -138.196
where: short stacking energy: -78.025
Base-Backbone interact. energy: -0.049
local terms energy: -108.897132
where:
bonds (distance) C4'-P energy: -24.345
bonds (distance) P-C4' energy: -28.618
flat angles C4'-P-C4' energy: -26.572
flat angles P-C4'-P energy: -16.932
tors. eta vs tors. theta energy: -12.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -221.868984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.868984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.868984 (E_RNA)
where:
Base-Base interactions energy: -112.744
where: short stacking energy: -74.984
Base-Backbone interact. energy: -0.431
local terms energy: -108.694848
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -33.263
flat angles C4'-P-C4' energy: -31.870
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -11.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -144.784246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.784246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.784246 (E_RNA)
where:
Base-Base interactions energy: -56.496
where: short stacking energy: -49.912
Base-Backbone interact. energy: -0.844
local terms energy: -87.444874
where:
bonds (distance) C4'-P energy: -21.208
bonds (distance) P-C4' energy: -26.519
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -8.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -133.167693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.167693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.167693 (E_RNA)
where:
Base-Base interactions energy: -34.320
where: short stacking energy: -34.320
Base-Backbone interact. energy: -0.791
local terms energy: -98.056504
where:
bonds (distance) C4'-P energy: -27.020
bonds (distance) P-C4' energy: -29.548
flat angles C4'-P-C4' energy: -26.216
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -3.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -506.555537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.555537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.555537 (E_RNA)
where:
Base-Base interactions energy: -346.618
where: short stacking energy: -148.824
Base-Backbone interact. energy: -1.248
local terms energy: -158.689597
where:
bonds (distance) C4'-P energy: -31.377
bonds (distance) P-C4' energy: -31.527
flat angles C4'-P-C4' energy: -31.866
flat angles P-C4'-P energy: -22.429
tors. eta vs tors. theta energy: -41.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -480.086743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.086743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.086743 (E_RNA)
where:
Base-Base interactions energy: -327.161
where: short stacking energy: -135.637
Base-Backbone interact. energy: -0.539
local terms energy: -152.386959
where:
bonds (distance) C4'-P energy: -31.616
bonds (distance) P-C4' energy: -29.924
flat angles C4'-P-C4' energy: -31.448
flat angles P-C4'-P energy: -20.494
tors. eta vs tors. theta energy: -38.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -409.799787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.799787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.799787 (E_RNA)
where:
Base-Base interactions energy: -291.949
where: short stacking energy: -113.900
Base-Backbone interact. energy: 0.243
local terms energy: -118.093569
where:
bonds (distance) C4'-P energy: -27.191
bonds (distance) P-C4' energy: -30.365
flat angles C4'-P-C4' energy: -21.519
flat angles P-C4'-P energy: -16.359
tors. eta vs tors. theta energy: -22.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -401.389463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.389463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.389463 (E_RNA)
where:
Base-Base interactions energy: -270.027
where: short stacking energy: -138.753
Base-Backbone interact. energy: -0.895
local terms energy: -130.467313
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -29.984
flat angles C4'-P-C4' energy: -22.904
flat angles P-C4'-P energy: -19.423
tors. eta vs tors. theta energy: -38.723
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: 5
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -421.834659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.834659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.834659 (E_RNA)
where:
Base-Base interactions energy: -289.620
where: short stacking energy: -127.458
Base-Backbone interact. energy: -0.203
local terms energy: -132.011735
where:
bonds (distance) C4'-P energy: -28.425
bonds (distance) P-C4' energy: -20.303
flat angles C4'-P-C4' energy: -29.796
flat angles P-C4'-P energy: -20.757
tors. eta vs tors. theta energy: -32.731
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: 2
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -351.613712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.613712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.613712 (E_RNA)
where:
Base-Base interactions energy: -221.014
where: short stacking energy: -99.714
Base-Backbone interact. energy: 0.739
local terms energy: -131.338307
where:
bonds (distance) C4'-P energy: -26.985
bonds (distance) P-C4' energy: -23.861
flat angles C4'-P-C4' energy: -29.536
flat angles P-C4'-P energy: -18.293
tors. eta vs tors. theta energy: -32.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -218.119237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.119237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.119237 (E_RNA)
where:
Base-Base interactions energy: -117.946
where: short stacking energy: -67.621
Base-Backbone interact. energy: -0.944
local terms energy: -99.228852
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -34.026
flat angles C4'-P-C4' energy: -25.203
flat angles P-C4'-P energy: -18.185
tors. eta vs tors. theta energy: -6.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -209.482926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.482926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.482926 (E_RNA)
where:
Base-Base interactions energy: -104.983
where: short stacking energy: -57.654
Base-Backbone interact. energy: -0.414
local terms energy: -104.086164
where:
bonds (distance) C4'-P energy: -26.204
bonds (distance) P-C4' energy: -26.080
flat angles C4'-P-C4' energy: -26.386
flat angles P-C4'-P energy: -19.240
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: 9, replica: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -140.615650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.615650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.615650 (E_RNA)
where:
Base-Base interactions energy: -56.210
where: short stacking energy: -49.736
Base-Backbone interact. energy: -0.033
local terms energy: -84.373104
where:
bonds (distance) C4'-P energy: -28.437
bonds (distance) P-C4' energy: -26.090
flat angles C4'-P-C4' energy: -26.333
flat angles P-C4'-P energy: -5.292
tors. eta vs tors. theta energy: 1.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -126.084211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.084211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.084211 (E_RNA)
where:
Base-Base interactions energy: -54.653
where: short stacking energy: -54.653
Base-Backbone interact. energy: -0.337
local terms energy: -71.093932
where:
bonds (distance) C4'-P energy: -18.030
bonds (distance) P-C4' energy: -21.400
flat angles C4'-P-C4' energy: -20.765
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: 0.104
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: 1, replica: 6
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -499.974171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.974171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.974171 (E_RNA)
where:
Base-Base interactions energy: -343.774
where: short stacking energy: -150.748
Base-Backbone interact. energy: -0.338
local terms energy: -155.862208
where:
bonds (distance) C4'-P energy: -28.814
bonds (distance) P-C4' energy: -26.073
flat angles C4'-P-C4' energy: -32.435
flat angles P-C4'-P energy: -24.552
tors. eta vs tors. theta energy: -43.988
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: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -461.062115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.062115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.062115 (E_RNA)
where:
Base-Base interactions energy: -322.419
where: short stacking energy: -125.755
Base-Backbone interact. energy: -1.388
local terms energy: -137.255528
where:
bonds (distance) C4'-P energy: -29.912
bonds (distance) P-C4' energy: -27.897
flat angles C4'-P-C4' energy: -28.799
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -33.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -402.943944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.943944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.943944 (E_RNA)
where:
Base-Base interactions energy: -270.438
where: short stacking energy: -114.822
Base-Backbone interact. energy: -1.380
local terms energy: -131.126137
where:
bonds (distance) C4'-P energy: -28.544
bonds (distance) P-C4' energy: -28.069
flat angles C4'-P-C4' energy: -28.527
flat angles P-C4'-P energy: -21.883
tors. eta vs tors. theta energy: -24.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -413.293617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.293617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.293617 (E_RNA)
where:
Base-Base interactions energy: -284.151
where: short stacking energy: -147.231
Base-Backbone interact. energy: -0.405
local terms energy: -128.737299
where:
bonds (distance) C4'-P energy: -23.566
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -27.988
flat angles P-C4'-P energy: -16.843
tors. eta vs tors. theta energy: -42.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -415.717712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.717712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.717712 (E_RNA)
where:
Base-Base interactions energy: -281.130
where: short stacking energy: -131.020
Base-Backbone interact. energy: 0.668
local terms energy: -135.255616
where:
bonds (distance) C4'-P energy: -23.507
bonds (distance) P-C4' energy: -29.298
flat angles C4'-P-C4' energy: -31.043
flat angles P-C4'-P energy: -19.727
tors. eta vs tors. theta energy: -31.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -379.960798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.960798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.960798 (E_RNA)
where:
Base-Base interactions energy: -257.969
where: short stacking energy: -119.120
Base-Backbone interact. energy: -0.841
local terms energy: -121.150291
where:
bonds (distance) C4'-P energy: -24.311
bonds (distance) P-C4' energy: -20.972
flat angles C4'-P-C4' energy: -28.065
flat angles P-C4'-P energy: -18.826
tors. eta vs tors. theta energy: -28.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -250.440283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.440283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.440283 (E_RNA)
where:
Base-Base interactions energy: -155.097
where: short stacking energy: -68.896
Base-Backbone interact. energy: 0.806
local terms energy: -96.149627
where:
bonds (distance) C4'-P energy: -27.777
bonds (distance) P-C4' energy: -31.029
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -9.484
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: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -199.244371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.244371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.244371 (E_RNA)
where:
Base-Base interactions energy: -106.547
where: short stacking energy: -57.254
Base-Backbone interact. energy: -0.354
local terms energy: -92.343315
where:
bonds (distance) C4'-P energy: -21.217
bonds (distance) P-C4' energy: -25.084
flat angles C4'-P-C4' energy: -26.512
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -6.799
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: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -140.689713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.689713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.689713 (E_RNA)
where:
Base-Base interactions energy: -52.554
where: short stacking energy: -45.558
Base-Backbone interact. energy: 0.177
local terms energy: -88.312687
where:
bonds (distance) C4'-P energy: -19.592
bonds (distance) P-C4' energy: -30.762
flat angles C4'-P-C4' energy: -25.480
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -0.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -139.168394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.168394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.168394 (E_RNA)
where:
Base-Base interactions energy: -38.018
where: short stacking energy: -36.074
Base-Backbone interact. energy: -0.597
local terms energy: -100.552922
where:
bonds (distance) C4'-P energy: -31.689
bonds (distance) P-C4' energy: -27.899
flat angles C4'-P-C4' energy: -22.453
flat angles P-C4'-P energy: -18.771
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: 1, replica: 6
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -495.886861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.886861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.886861 (E_RNA)
where:
Base-Base interactions energy: -345.576
where: short stacking energy: -150.673
Base-Backbone interact. energy: -0.159
local terms energy: -150.151847
where:
bonds (distance) C4'-P energy: -27.639
bonds (distance) P-C4' energy: -31.454
flat angles C4'-P-C4' energy: -24.205
flat angles P-C4'-P energy: -25.084
tors. eta vs tors. theta energy: -41.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -471.521243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.521243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.521243 (E_RNA)
where:
Base-Base interactions energy: -342.857
where: short stacking energy: -141.371
Base-Backbone interact. energy: 0.593
local terms energy: -129.257175
where:
bonds (distance) C4'-P energy: -21.268
bonds (distance) P-C4' energy: -25.747
flat angles C4'-P-C4' energy: -28.685
flat angles P-C4'-P energy: -16.889
tors. eta vs tors. theta energy: -36.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -400.100893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.100893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.100893 (E_RNA)
where:
Base-Base interactions energy: -279.481
where: short stacking energy: -119.228
Base-Backbone interact. energy: -0.690
local terms energy: -119.930541
where:
bonds (distance) C4'-P energy: -23.851
bonds (distance) P-C4' energy: -28.456
flat angles C4'-P-C4' energy: -27.114
flat angles P-C4'-P energy: -19.315
tors. eta vs tors. theta energy: -21.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -421.846356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.846356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.846356 (E_RNA)
where:
Base-Base interactions energy: -280.876
where: short stacking energy: -138.982
Base-Backbone interact. energy: -0.193
local terms energy: -140.776700
where:
bonds (distance) C4'-P energy: -23.546
bonds (distance) P-C4' energy: -28.692
flat angles C4'-P-C4' energy: -29.897
flat angles P-C4'-P energy: -20.220
tors. eta vs tors. theta energy: -38.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -422.389022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.389022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.389022 (E_RNA)
where:
Base-Base interactions energy: -291.225
where: short stacking energy: -124.781
Base-Backbone interact. energy: -0.151
local terms energy: -131.012577
where:
bonds (distance) C4'-P energy: -19.859
bonds (distance) P-C4' energy: -31.161
flat angles C4'-P-C4' energy: -27.163
flat angles P-C4'-P energy: -21.440
tors. eta vs tors. theta energy: -31.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -373.101716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.101716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.101716 (E_RNA)
where:
Base-Base interactions energy: -253.591
where: short stacking energy: -100.539
Base-Backbone interact. energy: -0.880
local terms energy: -118.631464
where:
bonds (distance) C4'-P energy: -24.449
bonds (distance) P-C4' energy: -21.202
flat angles C4'-P-C4' energy: -25.611
flat angles P-C4'-P energy: -25.898
tors. eta vs tors. theta energy: -21.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -285.387874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.387874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.387874 (E_RNA)
where:
Base-Base interactions energy: -177.954
where: short stacking energy: -93.321
Base-Backbone interact. energy: -0.416
local terms energy: -107.018471
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -24.779
flat angles C4'-P-C4' energy: -30.774
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -224.390098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.390098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.390098 (E_RNA)
where:
Base-Base interactions energy: -122.905
where: short stacking energy: -75.875
Base-Backbone interact. energy: -0.678
local terms energy: -100.807557
where:
bonds (distance) C4'-P energy: -28.920
bonds (distance) P-C4' energy: -26.650
flat angles C4'-P-C4' energy: -26.546
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -10.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -148.581946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.581946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.581946 (E_RNA)
where:
Base-Base interactions energy: -56.759
where: short stacking energy: -47.733
Base-Backbone interact. energy: -0.220
local terms energy: -91.602478
where:
bonds (distance) C4'-P energy: -22.250
bonds (distance) P-C4' energy: -21.238
flat angles C4'-P-C4' energy: -24.181
flat angles P-C4'-P energy: -15.949
tors. eta vs tors. theta energy: -7.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -162.962741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.962741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.962741 (E_RNA)
where:
Base-Base interactions energy: -55.591
where: short stacking energy: -44.074
Base-Backbone interact. energy: -0.292
local terms energy: -107.080103
where:
bonds (distance) C4'-P energy: -25.677
bonds (distance) P-C4' energy: -28.923
flat angles C4'-P-C4' energy: -24.328
flat angles P-C4'-P energy: -16.556
tors. eta vs tors. theta energy: -11.596
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: 1, replica: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -490.841560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.841560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.841560 (E_RNA)
where:
Base-Base interactions energy: -343.593
where: short stacking energy: -134.383
Base-Backbone interact. energy: -0.344
local terms energy: -146.904381
where:
bonds (distance) C4'-P energy: -29.440
bonds (distance) P-C4' energy: -30.223
flat angles C4'-P-C4' energy: -30.979
flat angles P-C4'-P energy: -17.989
tors. eta vs tors. theta energy: -38.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -499.151048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.151048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.151048 (E_RNA)
where:
Base-Base interactions energy: -356.053
where: short stacking energy: -147.821
Base-Backbone interact. energy: -0.138
local terms energy: -142.959740
where:
bonds (distance) C4'-P energy: -28.215
bonds (distance) P-C4' energy: -27.704
flat angles C4'-P-C4' energy: -28.826
flat angles P-C4'-P energy: -18.850
tors. eta vs tors. theta energy: -39.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -400.448586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.448586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.448586 (E_RNA)
where:
Base-Base interactions energy: -250.286
where: short stacking energy: -129.595
Base-Backbone interact. energy: -0.905
local terms energy: -149.257933
where:
bonds (distance) C4'-P energy: -31.280
bonds (distance) P-C4' energy: -33.114
flat angles C4'-P-C4' energy: -29.707
flat angles P-C4'-P energy: -18.952
tors. eta vs tors. theta energy: -36.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -379.373704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.373704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.373704 (E_RNA)
where:
Base-Base interactions energy: -256.546
where: short stacking energy: -103.106
Base-Backbone interact. energy: -0.555
local terms energy: -122.272951
where:
bonds (distance) C4'-P energy: -21.332
bonds (distance) P-C4' energy: -29.992
flat angles C4'-P-C4' energy: -27.897
flat angles P-C4'-P energy: -21.804
tors. eta vs tors. theta energy: -21.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -409.126744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.126744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.126744 (E_RNA)
where:
Base-Base interactions energy: -269.477
where: short stacking energy: -115.412
Base-Backbone interact. energy: -0.734
local terms energy: -138.915521
where:
bonds (distance) C4'-P energy: -30.672
bonds (distance) P-C4' energy: -29.128
flat angles C4'-P-C4' energy: -25.557
flat angles P-C4'-P energy: -19.019
tors. eta vs tors. theta energy: -34.539
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: 2
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -368.850284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.850284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.850284 (E_RNA)
where:
Base-Base interactions energy: -243.050
where: short stacking energy: -123.404
Base-Backbone interact. energy: -0.590
local terms energy: -125.209973
where:
bonds (distance) C4'-P energy: -23.916
bonds (distance) P-C4' energy: -23.094
flat angles C4'-P-C4' energy: -29.523
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: -31.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -318.849881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.849881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.849881 (E_RNA)
where:
Base-Base interactions energy: -203.135
where: short stacking energy: -109.111
Base-Backbone interact. energy: -0.367
local terms energy: -115.348341
where:
bonds (distance) C4'-P energy: -19.000
bonds (distance) P-C4' energy: -24.124
flat angles C4'-P-C4' energy: -25.066
flat angles P-C4'-P energy: -20.601
tors. eta vs tors. theta energy: -26.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -229.895468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.895468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.895468 (E_RNA)
where:
Base-Base interactions energy: -126.415
where: short stacking energy: -70.644
Base-Backbone interact. energy: 1.415
local terms energy: -104.895613
where:
bonds (distance) C4'-P energy: -25.568
bonds (distance) P-C4' energy: -27.798
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -20.100
tors. eta vs tors. theta energy: -14.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -131.617613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.617613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.617613 (E_RNA)
where:
Base-Base interactions energy: -63.513
where: short stacking energy: -39.642
Base-Backbone interact. energy: -0.284
local terms energy: -67.820513
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: 0.868
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: 34
Temperature: 1.350000
Total energy: -181.036797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.036797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.036797 (E_RNA)
where:
Base-Base interactions energy: -80.383
where: short stacking energy: -48.072
Base-Backbone interact. energy: 2.755
local terms energy: -103.408525
where:
bonds (distance) C4'-P energy: -28.314
bonds (distance) P-C4' energy: -26.959
flat angles C4'-P-C4' energy: -26.868
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: -6.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -488.682306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.682306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.682306 (E_RNA)
where:
Base-Base interactions energy: -350.184
where: short stacking energy: -140.834
Base-Backbone interact. energy: 0.729
local terms energy: -139.227343
where:
bonds (distance) C4'-P energy: -26.525
bonds (distance) P-C4' energy: -28.310
flat angles C4'-P-C4' energy: -31.342
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -38.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -480.714786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.714786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.714786 (E_RNA)
where:
Base-Base interactions energy: -337.471
where: short stacking energy: -140.288
Base-Backbone interact. energy: 2.333
local terms energy: -145.577349
where:
bonds (distance) C4'-P energy: -24.261
bonds (distance) P-C4' energy: -31.885
flat angles C4'-P-C4' energy: -27.856
flat angles P-C4'-P energy: -23.505
tors. eta vs tors. theta energy: -38.071
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: 8
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -426.707270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.707270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.707270 (E_RNA)
where:
Base-Base interactions energy: -282.868
where: short stacking energy: -148.032
Base-Backbone interact. energy: -1.467
local terms energy: -142.371749
where:
bonds (distance) C4'-P energy: -27.204
bonds (distance) P-C4' energy: -22.140
flat angles C4'-P-C4' energy: -34.081
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -42.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -434.377605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.377605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.377605 (E_RNA)
where:
Base-Base interactions energy: -297.024
where: short stacking energy: -125.232
Base-Backbone interact. energy: -0.427
local terms energy: -136.925951
where:
bonds (distance) C4'-P energy: -28.193
bonds (distance) P-C4' energy: -27.318
flat angles C4'-P-C4' energy: -33.123
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -34.054
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: 3
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -362.180850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.180850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.180850 (E_RNA)
where:
Base-Base interactions energy: -253.503
where: short stacking energy: -103.053
Base-Backbone interact. energy: 0.452
local terms energy: -109.129484
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -29.470
flat angles C4'-P-C4' energy: -26.335
flat angles P-C4'-P energy: -16.189
tors. eta vs tors. theta energy: -20.527
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: 35
Temperature: 1.150000
Total energy: -322.593327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.593327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.593327 (E_RNA)
where:
Base-Base interactions energy: -206.662
where: short stacking energy: -102.185
Base-Backbone interact. energy: -2.561
local terms energy: -113.370829
where:
bonds (distance) C4'-P energy: -26.353
bonds (distance) P-C4' energy: -25.043
flat angles C4'-P-C4' energy: -25.112
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -22.601
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: 2
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -327.784609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.784609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.784609 (E_RNA)
where:
Base-Base interactions energy: -224.582
where: short stacking energy: -100.034
Base-Backbone interact. energy: -0.471
local terms energy: -102.731865
where:
bonds (distance) C4'-P energy: -29.219
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -23.418
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -29.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -231.087651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.087651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.087651 (E_RNA)
where:
Base-Base interactions energy: -137.369
where: short stacking energy: -77.485
Base-Backbone interact. energy: -1.131
local terms energy: -92.587707
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -25.184
flat angles C4'-P-C4' energy: -30.595
flat angles P-C4'-P energy: -11.971
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: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -189.819635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.819635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.819635 (E_RNA)
where:
Base-Base interactions energy: -104.308
where: short stacking energy: -50.731
Base-Backbone interact. energy: -1.044
local terms energy: -84.468090
where:
bonds (distance) C4'-P energy: -28.930
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -0.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -189.377890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.377890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.377890 (E_RNA)
where:
Base-Base interactions energy: -101.863
where: short stacking energy: -67.190
Base-Backbone interact. energy: 0.931
local terms energy: -88.446066
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -21.921
flat angles C4'-P-C4' energy: -22.512
flat angles P-C4'-P energy: -17.867
tors. eta vs tors. theta energy: -7.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -506.373485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.373485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.373485 (E_RNA)
where:
Base-Base interactions energy: -345.514
where: short stacking energy: -145.340
Base-Backbone interact. energy: 0.044
local terms energy: -160.904076
where:
bonds (distance) C4'-P energy: -28.288
bonds (distance) P-C4' energy: -33.920
flat angles C4'-P-C4' energy: -30.748
flat angles P-C4'-P energy: -26.481
tors. eta vs tors. theta energy: -41.467
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: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -486.826749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.826749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.826749 (E_RNA)
where:
Base-Base interactions energy: -337.536
where: short stacking energy: -138.682
Base-Backbone interact. energy: -0.523
local terms energy: -148.767574
where:
bonds (distance) C4'-P energy: -29.796
bonds (distance) P-C4' energy: -31.989
flat angles C4'-P-C4' energy: -32.344
flat angles P-C4'-P energy: -18.581
tors. eta vs tors. theta energy: -36.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -442.037377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.037377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.037377 (E_RNA)
where:
Base-Base interactions energy: -297.681
where: short stacking energy: -124.661
Base-Backbone interact. energy: -1.144
local terms energy: -143.213018
where:
bonds (distance) C4'-P energy: -28.325
bonds (distance) P-C4' energy: -30.621
flat angles C4'-P-C4' energy: -28.922
flat angles P-C4'-P energy: -18.457
tors. eta vs tors. theta energy: -36.888
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: 8
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -416.926643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.926643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.926643 (E_RNA)
where:
Base-Base interactions energy: -269.081
where: short stacking energy: -134.817
Base-Backbone interact. energy: -0.597
local terms energy: -147.248304
where:
bonds (distance) C4'-P energy: -30.589
bonds (distance) P-C4' energy: -27.916
flat angles C4'-P-C4' energy: -32.016
flat angles P-C4'-P energy: -18.435
tors. eta vs tors. theta energy: -38.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -363.376643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.376643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.376643 (E_RNA)
where:
Base-Base interactions energy: -238.316
where: short stacking energy: -116.826
Base-Backbone interact. energy: 1.195
local terms energy: -126.255828
where:
bonds (distance) C4'-P energy: -23.933
bonds (distance) P-C4' energy: -23.813
flat angles C4'-P-C4' energy: -31.180
flat angles P-C4'-P energy: -22.994
tors. eta vs tors. theta energy: -24.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -288.486409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.486409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.486409 (E_RNA)
where:
Base-Base interactions energy: -177.191
where: short stacking energy: -73.894
Base-Backbone interact. energy: -0.861
local terms energy: -110.434718
where:
bonds (distance) C4'-P energy: -26.267
bonds (distance) P-C4' energy: -27.607
flat angles C4'-P-C4' energy: -23.059
flat angles P-C4'-P energy: -18.404
tors. eta vs tors. theta energy: -15.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -288.679028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.679028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.679028 (E_RNA)
where:
Base-Base interactions energy: -174.592
where: short stacking energy: -76.792
Base-Backbone interact. energy: -0.367
local terms energy: -113.720159
where:
bonds (distance) C4'-P energy: -29.031
bonds (distance) P-C4' energy: -25.058
flat angles C4'-P-C4' energy: -28.446
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -17.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -236.012096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.012096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.012096 (E_RNA)
where:
Base-Base interactions energy: -142.531
where: short stacking energy: -81.656
Base-Backbone interact. energy: 1.353
local terms energy: -94.834133
where:
bonds (distance) C4'-P energy: -22.748
bonds (distance) P-C4' energy: -23.825
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -16.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -145.243215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.243215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.243215 (E_RNA)
where:
Base-Base interactions energy: -58.560
where: short stacking energy: -46.359
Base-Backbone interact. energy: -0.877
local terms energy: -85.806069
where:
bonds (distance) C4'-P energy: -26.377
bonds (distance) P-C4' energy: -26.863
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -3.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -150.924165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.924165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.924165 (E_RNA)
where:
Base-Base interactions energy: -84.429
where: short stacking energy: -49.265
Base-Backbone interact. energy: -1.726
local terms energy: -64.768971
where:
bonds (distance) C4'-P energy: -20.526
bonds (distance) P-C4' energy: -27.900
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: 4.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -501.129242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.129242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.129242 (E_RNA)
where:
Base-Base interactions energy: -338.165
where: short stacking energy: -143.505
Base-Backbone interact. energy: -0.095
local terms energy: -162.869113
where:
bonds (distance) C4'-P energy: -30.243
bonds (distance) P-C4' energy: -34.561
flat angles C4'-P-C4' energy: -34.033
flat angles P-C4'-P energy: -21.931
tors. eta vs tors. theta energy: -42.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -477.559612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.559612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.559612 (E_RNA)
where:
Base-Base interactions energy: -320.406
where: short stacking energy: -138.253
Base-Backbone interact. energy: -0.957
local terms energy: -156.197443
where:
bonds (distance) C4'-P energy: -27.329
bonds (distance) P-C4' energy: -31.113
flat angles C4'-P-C4' energy: -31.742
flat angles P-C4'-P energy: -21.259
tors. eta vs tors. theta energy: -44.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -434.241247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.241247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.241247 (E_RNA)
where:
Base-Base interactions energy: -300.786
where: short stacking energy: -135.339
Base-Backbone interact. energy: -0.896
local terms energy: -132.559573
where:
bonds (distance) C4'-P energy: -20.673
bonds (distance) P-C4' energy: -30.712
flat angles C4'-P-C4' energy: -27.791
flat angles P-C4'-P energy: -18.870
tors. eta vs tors. theta energy: -34.514
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: 8
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -423.083261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.083261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.083261 (E_RNA)
where:
Base-Base interactions energy: -285.969
where: short stacking energy: -151.058
Base-Backbone interact. energy: -0.399
local terms energy: -136.714646
where:
bonds (distance) C4'-P energy: -21.066
bonds (distance) P-C4' energy: -25.733
flat angles C4'-P-C4' energy: -27.894
flat angles P-C4'-P energy: -19.909
tors. eta vs tors. theta energy: -42.113
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: 3
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -368.304476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.304476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.304476 (E_RNA)
where:
Base-Base interactions energy: -243.867
where: short stacking energy: -97.667
Base-Backbone interact. energy: -1.470
local terms energy: -122.968017
where:
bonds (distance) C4'-P energy: -21.083
bonds (distance) P-C4' energy: -27.517
flat angles C4'-P-C4' energy: -28.848
flat angles P-C4'-P energy: -19.931
tors. eta vs tors. theta energy: -25.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -309.399194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.399194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.399194 (E_RNA)
where:
Base-Base interactions energy: -204.948
where: short stacking energy: -72.450
Base-Backbone interact. energy: -0.686
local terms energy: -103.765404
where:
bonds (distance) C4'-P energy: -26.390
bonds (distance) P-C4' energy: -18.987
flat angles C4'-P-C4' energy: -23.438
flat angles P-C4'-P energy: -19.768
tors. eta vs tors. theta energy: -15.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -288.303179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.303179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.303179 (E_RNA)
where:
Base-Base interactions energy: -171.973
where: short stacking energy: -88.019
Base-Backbone interact. energy: -0.398
local terms energy: -115.932290
where:
bonds (distance) C4'-P energy: -23.434
bonds (distance) P-C4' energy: -30.930
flat angles C4'-P-C4' energy: -23.281
flat angles P-C4'-P energy: -17.250
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: 8, replica: 7
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -222.742205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.742205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.742205 (E_RNA)
where:
Base-Base interactions energy: -130.703
where: short stacking energy: -77.984
Base-Backbone interact. energy: -2.218
local terms energy: -89.821053
where:
bonds (distance) C4'-P energy: -19.463
bonds (distance) P-C4' energy: -18.729
flat angles C4'-P-C4' energy: -21.593
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -14.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -132.562392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.562392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.562392 (E_RNA)
where:
Base-Base interactions energy: -42.254
where: short stacking energy: -39.174
Base-Backbone interact. energy: -0.606
local terms energy: -89.702076
where:
bonds (distance) C4'-P energy: -20.211
bonds (distance) P-C4' energy: -25.628
flat angles C4'-P-C4' energy: -26.159
flat angles P-C4'-P energy: -20.979
tors. eta vs tors. theta energy: 3.275
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: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -187.019947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.019947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.019947 (E_RNA)
where:
Base-Base interactions energy: -106.375
where: short stacking energy: -51.132
Base-Backbone interact. energy: 3.070
local terms energy: -83.714585
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -28.369
flat angles C4'-P-C4' energy: -24.006
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: 7.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -491.119570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.119570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.119570 (E_RNA)
where:
Base-Base interactions energy: -339.871
where: short stacking energy: -137.015
Base-Backbone interact. energy: -0.323
local terms energy: -150.924715
where:
bonds (distance) C4'-P energy: -30.769
bonds (distance) P-C4' energy: -27.619
flat angles C4'-P-C4' energy: -30.965
flat angles P-C4'-P energy: -22.839
tors. eta vs tors. theta energy: -38.733
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: 6
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -486.127613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.127613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.127613 (E_RNA)
where:
Base-Base interactions energy: -335.619
where: short stacking energy: -143.092
Base-Backbone interact. energy: -0.891
local terms energy: -149.617156
where:
bonds (distance) C4'-P energy: -28.008
bonds (distance) P-C4' energy: -31.359
flat angles C4'-P-C4' energy: -30.009
flat angles P-C4'-P energy: -21.123
tors. eta vs tors. theta energy: -39.118
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: 5
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -450.521533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.521533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.521533 (E_RNA)
where:
Base-Base interactions energy: -315.393
where: short stacking energy: -136.475
Base-Backbone interact. energy: -1.288
local terms energy: -133.840600
where:
bonds (distance) C4'-P energy: -32.247
bonds (distance) P-C4' energy: -25.594
flat angles C4'-P-C4' energy: -26.862
flat angles P-C4'-P energy: -16.738
tors. eta vs tors. theta energy: -32.400
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: 8
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -416.228918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.228918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.228918 (E_RNA)
where:
Base-Base interactions energy: -272.898
where: short stacking energy: -133.954
Base-Backbone interact. energy: -0.571
local terms energy: -142.759905
where:
bonds (distance) C4'-P energy: -23.742
bonds (distance) P-C4' energy: -26.690
flat angles C4'-P-C4' energy: -30.774
flat angles P-C4'-P energy: -22.011
tors. eta vs tors. theta energy: -39.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -375.817293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.817293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.817293 (E_RNA)
where:
Base-Base interactions energy: -247.566
where: short stacking energy: -124.000
Base-Backbone interact. energy: -0.216
local terms energy: -128.035301
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -24.656
flat angles C4'-P-C4' energy: -32.114
flat angles P-C4'-P energy: -21.404
tors. eta vs tors. theta energy: -30.267
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: 6, replica: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -340.879879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.879879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.879879 (E_RNA)
where:
Base-Base interactions energy: -234.180
where: short stacking energy: -101.362
Base-Backbone interact. energy: 1.353
local terms energy: -108.052878
where:
bonds (distance) C4'-P energy: -22.538
bonds (distance) P-C4' energy: -23.559
flat angles C4'-P-C4' energy: -26.819
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -20.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -304.961132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.961132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.961132 (E_RNA)
where:
Base-Base interactions energy: -186.631
where: short stacking energy: -81.834
Base-Backbone interact. energy: 2.126
local terms energy: -120.456624
where:
bonds (distance) C4'-P energy: -31.379
bonds (distance) P-C4' energy: -29.258
flat angles C4'-P-C4' energy: -24.715
flat angles P-C4'-P energy: -16.407
tors. eta vs tors. theta energy: -18.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -246.208473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.208473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.208473 (E_RNA)
where:
Base-Base interactions energy: -147.464
where: short stacking energy: -79.825
Base-Backbone interact. energy: -0.204
local terms energy: -98.540999
where:
bonds (distance) C4'-P energy: -20.319
bonds (distance) P-C4' energy: -29.261
flat angles C4'-P-C4' energy: -25.734
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -10.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -155.854810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.854810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.854810 (E_RNA)
where:
Base-Base interactions energy: -50.923
where: short stacking energy: -50.205
Base-Backbone interact. energy: 0.555
local terms energy: -105.486434
where:
bonds (distance) C4'-P energy: -25.909
bonds (distance) P-C4' energy: -25.394
flat angles C4'-P-C4' energy: -30.791
flat angles P-C4'-P energy: -15.706
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: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -127.377257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.377257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.377257 (E_RNA)
where:
Base-Base interactions energy: -51.552
where: short stacking energy: -40.065
Base-Backbone interact. energy: -0.101
local terms energy: -75.724779
where:
bonds (distance) C4'-P energy: -20.182
bonds (distance) P-C4' energy: -26.760
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -17.559
tors. eta vs tors. theta energy: 3.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -478.047108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.047108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.047108 (E_RNA)
where:
Base-Base interactions energy: -335.146
where: short stacking energy: -139.592
Base-Backbone interact. energy: -0.448
local terms energy: -142.453309
where:
bonds (distance) C4'-P energy: -25.315
bonds (distance) P-C4' energy: -29.434
flat angles C4'-P-C4' energy: -33.359
flat angles P-C4'-P energy: -18.254
tors. eta vs tors. theta energy: -36.091
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: 2, replica: 6
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -494.533597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.533597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.533597 (E_RNA)
where:
Base-Base interactions energy: -343.128
where: short stacking energy: -135.989
Base-Backbone interact. energy: -0.254
local terms energy: -151.151547
where:
bonds (distance) C4'-P energy: -23.233
bonds (distance) P-C4' energy: -33.085
flat angles C4'-P-C4' energy: -34.036
flat angles P-C4'-P energy: -25.009
tors. eta vs tors. theta energy: -35.788
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: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -442.459699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.459699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.459699 (E_RNA)
where:
Base-Base interactions energy: -291.683
where: short stacking energy: -129.479
Base-Backbone interact. energy: -0.796
local terms energy: -149.980923
where:
bonds (distance) C4'-P energy: -31.603
bonds (distance) P-C4' energy: -31.434
flat angles C4'-P-C4' energy: -31.270
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -36.979
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: 8
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -400.245154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.245154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.245154 (E_RNA)
where:
Base-Base interactions energy: -256.484
where: short stacking energy: -131.441
Base-Backbone interact. energy: -0.746
local terms energy: -143.015649
where:
bonds (distance) C4'-P energy: -22.220
bonds (distance) P-C4' energy: -30.332
flat angles C4'-P-C4' energy: -32.316
flat angles P-C4'-P energy: -20.557
tors. eta vs tors. theta energy: -37.591
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: 3
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -323.775502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.775502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.775502 (E_RNA)
where:
Base-Base interactions energy: -210.738
where: short stacking energy: -88.583
Base-Backbone interact. energy: -0.772
local terms energy: -112.265555
where:
bonds (distance) C4'-P energy: -28.615
bonds (distance) P-C4' energy: -32.803
flat angles C4'-P-C4' energy: -26.099
flat angles P-C4'-P energy: -17.402
tors. eta vs tors. theta energy: -7.346
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: 2
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -309.655518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.655518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.655518 (E_RNA)
where:
Base-Base interactions energy: -208.499
where: short stacking energy: -96.924
Base-Backbone interact. energy: -0.200
local terms energy: -100.956490
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -23.594
flat angles C4'-P-C4' energy: -26.353
flat angles P-C4'-P energy: -9.171
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: 7, replica: 4
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -300.561983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.561983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.561983 (E_RNA)
where:
Base-Base interactions energy: -189.640
where: short stacking energy: -99.000
Base-Backbone interact. energy: -0.548
local terms energy: -110.373635
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -26.713
flat angles P-C4'-P energy: -21.080
tors. eta vs tors. theta energy: -23.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -242.627236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.627236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.627236 (E_RNA)
where:
Base-Base interactions energy: -148.619
where: short stacking energy: -59.259
Base-Backbone interact. energy: -1.243
local terms energy: -92.765822
where:
bonds (distance) C4'-P energy: -21.828
bonds (distance) P-C4' energy: -23.841
flat angles C4'-P-C4' energy: -22.588
flat angles P-C4'-P energy: -19.645
tors. eta vs tors. theta energy: -4.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -210.589760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.589760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.589760 (E_RNA)
where:
Base-Base interactions energy: -120.666
where: short stacking energy: -74.640
Base-Backbone interact. energy: -0.467
local terms energy: -89.456780
where:
bonds (distance) C4'-P energy: -26.301
bonds (distance) P-C4' energy: -23.159
flat angles C4'-P-C4' energy: -22.904
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -10.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -133.882006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.882006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.882006 (E_RNA)
where:
Base-Base interactions energy: -50.393
where: short stacking energy: -49.760
Base-Backbone interact. energy: -0.581
local terms energy: -82.908261
where:
bonds (distance) C4'-P energy: -23.096
bonds (distance) P-C4' energy: -24.347
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -3.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -499.954757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.954757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.954757 (E_RNA)
where:
Base-Base interactions energy: -352.412
where: short stacking energy: -150.421
Base-Backbone interact. energy: -0.118
local terms energy: -147.424369
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -26.048
flat angles C4'-P-C4' energy: -35.930
flat angles P-C4'-P energy: -24.050
tors. eta vs tors. theta energy: -41.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -485.924626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.924626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.924626 (E_RNA)
where:
Base-Base interactions energy: -343.726
where: short stacking energy: -144.645
Base-Backbone interact. energy: -0.746
local terms energy: -141.451848
where:
bonds (distance) C4'-P energy: -21.123
bonds (distance) P-C4' energy: -28.785
flat angles C4'-P-C4' energy: -33.361
flat angles P-C4'-P energy: -16.862
tors. eta vs tors. theta energy: -41.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -424.001512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.001512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.001512 (E_RNA)
where:
Base-Base interactions energy: -290.845
where: short stacking energy: -118.482
Base-Backbone interact. energy: -1.015
local terms energy: -132.141549
where:
bonds (distance) C4'-P energy: -25.329
bonds (distance) P-C4' energy: -30.766
flat angles C4'-P-C4' energy: -28.088
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -30.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -418.014804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.014804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.014804 (E_RNA)
where:
Base-Base interactions energy: -270.289
where: short stacking energy: -139.096
Base-Backbone interact. energy: -0.301
local terms energy: -147.424785
where:
bonds (distance) C4'-P energy: -26.761
bonds (distance) P-C4' energy: -31.276
flat angles C4'-P-C4' energy: -29.621
flat angles P-C4'-P energy: -15.524
tors. eta vs tors. theta energy: -44.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -333.299134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.299134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.299134 (E_RNA)
where:
Base-Base interactions energy: -211.028
where: short stacking energy: -89.532
Base-Backbone interact. energy: -0.890
local terms energy: -121.380787
where:
bonds (distance) C4'-P energy: -25.685
bonds (distance) P-C4' energy: -30.409
flat angles C4'-P-C4' energy: -29.831
flat angles P-C4'-P energy: -22.425
tors. eta vs tors. theta energy: -13.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -307.962105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.962105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.962105 (E_RNA)
where:
Base-Base interactions energy: -198.685
where: short stacking energy: -82.116
Base-Backbone interact. energy: -0.753
local terms energy: -108.523727
where:
bonds (distance) C4'-P energy: -24.080
bonds (distance) P-C4' energy: -30.766
flat angles C4'-P-C4' energy: -20.241
flat angles P-C4'-P energy: -16.355
tors. eta vs tors. theta energy: -17.083
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: 4
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -332.203272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.203272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.203272 (E_RNA)
where:
Base-Base interactions energy: -214.297
where: short stacking energy: -110.565
Base-Backbone interact. energy: -0.211
local terms energy: -117.694921
where:
bonds (distance) C4'-P energy: -21.652
bonds (distance) P-C4' energy: -25.562
flat angles C4'-P-C4' energy: -27.640
flat angles P-C4'-P energy: -16.903
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: 8, replica: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -243.311131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.311131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.311131 (E_RNA)
where:
Base-Base interactions energy: -147.630
where: short stacking energy: -81.334
Base-Backbone interact. energy: -1.872
local terms energy: -93.809209
where:
bonds (distance) C4'-P energy: -23.478
bonds (distance) P-C4' energy: -23.970
flat angles C4'-P-C4' energy: -28.439
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -8.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -151.512803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.512803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.512803 (E_RNA)
where:
Base-Base interactions energy: -59.804
where: short stacking energy: -58.464
Base-Backbone interact. energy: 4.455
local terms energy: -96.164342
where:
bonds (distance) C4'-P energy: -24.904
bonds (distance) P-C4' energy: -31.135
flat angles C4'-P-C4' energy: -23.023
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -6.311
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: 10, replica: 7
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -212.385695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.385695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.385695 (E_RNA)
where:
Base-Base interactions energy: -110.732
where: short stacking energy: -62.771
Base-Backbone interact. energy: -1.108
local terms energy: -100.545817
where:
bonds (distance) C4'-P energy: -25.422
bonds (distance) P-C4' energy: -31.979
flat angles C4'-P-C4' energy: -27.684
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -5.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -491.634956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.634956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.634956 (E_RNA)
where:
Base-Base interactions energy: -351.800
where: short stacking energy: -135.398
Base-Backbone interact. energy: -0.904
local terms energy: -138.931080
where:
bonds (distance) C4'-P energy: -27.664
bonds (distance) P-C4' energy: -19.751
flat angles C4'-P-C4' energy: -33.237
flat angles P-C4'-P energy: -20.611
tors. eta vs tors. theta energy: -37.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -487.267007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.267007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.267007 (E_RNA)
where:
Base-Base interactions energy: -339.614
where: short stacking energy: -143.473
Base-Backbone interact. energy: -1.569
local terms energy: -146.084335
where:
bonds (distance) C4'-P energy: -26.715
bonds (distance) P-C4' energy: -30.475
flat angles C4'-P-C4' energy: -33.843
flat angles P-C4'-P energy: -14.423
tors. eta vs tors. theta energy: -40.628
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: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -441.481492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.481492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.481492 (E_RNA)
where:
Base-Base interactions energy: -309.408
where: short stacking energy: -117.476
Base-Backbone interact. energy: -0.660
local terms energy: -131.412834
where:
bonds (distance) C4'-P energy: -24.897
bonds (distance) P-C4' energy: -32.379
flat angles C4'-P-C4' energy: -28.208
flat angles P-C4'-P energy: -18.251
tors. eta vs tors. theta energy: -27.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -382.520246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.520246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.520246 (E_RNA)
where:
Base-Base interactions energy: -252.652
where: short stacking energy: -117.000
Base-Backbone interact. energy: 0.191
local terms energy: -130.060040
where:
bonds (distance) C4'-P energy: -29.404
bonds (distance) P-C4' energy: -21.602
flat angles C4'-P-C4' energy: -30.832
flat angles P-C4'-P energy: -20.114
tors. eta vs tors. theta energy: -28.108
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: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -351.162821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.162821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.162821 (E_RNA)
where:
Base-Base interactions energy: -230.281
where: short stacking energy: -107.606
Base-Backbone interact. energy: 0.561
local terms energy: -121.442590
where:
bonds (distance) C4'-P energy: -23.113
bonds (distance) P-C4' energy: -24.205
flat angles C4'-P-C4' energy: -26.771
flat angles P-C4'-P energy: -18.931
tors. eta vs tors. theta energy: -28.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -340.898121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.898121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.898121 (E_RNA)
where:
Base-Base interactions energy: -223.036
where: short stacking energy: -106.453
Base-Backbone interact. energy: -1.033
local terms energy: -116.829017
where:
bonds (distance) C4'-P energy: -24.566
bonds (distance) P-C4' energy: -26.276
flat angles C4'-P-C4' energy: -21.350
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -29.755
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: 3
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -282.648612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.648612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.648612 (E_RNA)
where:
Base-Base interactions energy: -177.177
where: short stacking energy: -83.561
Base-Backbone interact. energy: -1.680
local terms energy: -103.791977
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -26.171
flat angles C4'-P-C4' energy: -30.706
flat angles P-C4'-P energy: -17.836
tors. eta vs tors. theta energy: -16.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -240.492717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.492717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.492717 (E_RNA)
where:
Base-Base interactions energy: -135.141
where: short stacking energy: -75.761
Base-Backbone interact. energy: -0.536
local terms energy: -104.815637
where:
bonds (distance) C4'-P energy: -21.906
bonds (distance) P-C4' energy: -27.554
flat angles C4'-P-C4' energy: -24.891
flat angles P-C4'-P energy: -18.670
tors. eta vs tors. theta energy: -11.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -136.560700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.560700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.560700 (E_RNA)
where:
Base-Base interactions energy: -53.092
where: short stacking energy: -42.308
Base-Backbone interact. energy: 0.586
local terms energy: -84.055242
where:
bonds (distance) C4'-P energy: -26.760
bonds (distance) P-C4' energy: -27.074
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -17.979
tors. eta vs tors. theta energy: 3.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -197.747414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.747414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.747414 (E_RNA)
where:
Base-Base interactions energy: -112.635
where: short stacking energy: -61.240
Base-Backbone interact. energy: -0.260
local terms energy: -84.852845
where:
bonds (distance) C4'-P energy: -21.430
bonds (distance) P-C4' energy: -16.052
flat angles C4'-P-C4' energy: -26.357
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -8.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -503.399376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.399376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.399376 (E_RNA)
where:
Base-Base interactions energy: -355.641
where: short stacking energy: -139.663
Base-Backbone interact. energy: -0.904
local terms energy: -146.854608
where:
bonds (distance) C4'-P energy: -26.658
bonds (distance) P-C4' energy: -27.413
flat angles C4'-P-C4' energy: -28.701
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: -41.343
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: 2, replica: 1
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -474.891242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.891242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.891242 (E_RNA)
where:
Base-Base interactions energy: -332.073
where: short stacking energy: -130.122
Base-Backbone interact. energy: 0.105
local terms energy: -142.923417
where:
bonds (distance) C4'-P energy: -26.499
bonds (distance) P-C4' energy: -29.602
flat angles C4'-P-C4' energy: -30.661
flat angles P-C4'-P energy: -19.790
tors. eta vs tors. theta energy: -36.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -444.160442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.160442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.160442 (E_RNA)
where:
Base-Base interactions energy: -316.367
where: short stacking energy: -126.206
Base-Backbone interact. energy: -0.378
local terms energy: -127.415613
where:
bonds (distance) C4'-P energy: -25.721
bonds (distance) P-C4' energy: -29.126
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -36.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -383.304802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.304802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.304802 (E_RNA)
where:
Base-Base interactions energy: -257.038
where: short stacking energy: -122.382
Base-Backbone interact. energy: -1.417
local terms energy: -124.848967
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -22.498
flat angles C4'-P-C4' energy: -28.139
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: -34.576
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: 4
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -362.206491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.206491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.206491 (E_RNA)
where:
Base-Base interactions energy: -235.426
where: short stacking energy: -110.626
Base-Backbone interact. energy: -0.399
local terms energy: -126.380828
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -29.453
flat angles C4'-P-C4' energy: -26.904
flat angles P-C4'-P energy: -18.812
tors. eta vs tors. theta energy: -30.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -344.059876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.059876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.059876 (E_RNA)
where:
Base-Base interactions energy: -210.582
where: short stacking energy: -90.988
Base-Backbone interact. energy: -0.023
local terms energy: -133.454941
where:
bonds (distance) C4'-P energy: -26.246
bonds (distance) P-C4' energy: -28.502
flat angles C4'-P-C4' energy: -28.383
flat angles P-C4'-P energy: -23.971
tors. eta vs tors. theta energy: -26.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -289.415184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.415184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.415184 (E_RNA)
where:
Base-Base interactions energy: -189.373
where: short stacking energy: -87.878
Base-Backbone interact. energy: 1.617
local terms energy: -101.659360
where:
bonds (distance) C4'-P energy: -20.537
bonds (distance) P-C4' energy: -20.521
flat angles C4'-P-C4' energy: -23.403
flat angles P-C4'-P energy: -15.868
tors. eta vs tors. theta energy: -21.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -290.519080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.519080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.519080 (E_RNA)
where:
Base-Base interactions energy: -191.110
where: short stacking energy: -82.160
Base-Backbone interact. energy: -0.862
local terms energy: -98.546660
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -24.137
flat angles C4'-P-C4' energy: -24.880
flat angles P-C4'-P energy: -15.303
tors. eta vs tors. theta energy: -14.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -216.772355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.772355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.772355 (E_RNA)
where:
Base-Base interactions energy: -122.787
where: short stacking energy: -77.482
Base-Backbone interact. energy: 0.920
local terms energy: -94.904598
where:
bonds (distance) C4'-P energy: -26.773
bonds (distance) P-C4' energy: -30.365
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -8.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -139.595951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.595951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.595951 (E_RNA)
where:
Base-Base interactions energy: -54.791
where: short stacking energy: -54.389
Base-Backbone interact. energy: -0.357
local terms energy: -84.447579
where:
bonds (distance) C4'-P energy: -25.979
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -20.231
flat angles P-C4'-P energy: -15.648
tors. eta vs tors. theta energy: 0.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -501.928834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.928834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.928834 (E_RNA)
where:
Base-Base interactions energy: -350.709
where: short stacking energy: -144.272
Base-Backbone interact. energy: -1.151
local terms energy: -150.068842
where:
bonds (distance) C4'-P energy: -28.547
bonds (distance) P-C4' energy: -28.175
flat angles C4'-P-C4' energy: -30.315
flat angles P-C4'-P energy: -21.562
tors. eta vs tors. theta energy: -41.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -473.588950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.588950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.588950 (E_RNA)
where:
Base-Base interactions energy: -332.902
where: short stacking energy: -140.502
Base-Backbone interact. energy: -1.373
local terms energy: -139.314302
where:
bonds (distance) C4'-P energy: -27.742
bonds (distance) P-C4' energy: -24.207
flat angles C4'-P-C4' energy: -30.428
flat angles P-C4'-P energy: -18.319
tors. eta vs tors. theta energy: -38.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -458.532450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.532450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.532450 (E_RNA)
where:
Base-Base interactions energy: -322.932
where: short stacking energy: -130.173
Base-Backbone interact. energy: -0.213
local terms energy: -135.386660
where:
bonds (distance) C4'-P energy: -25.399
bonds (distance) P-C4' energy: -30.210
flat angles C4'-P-C4' energy: -28.725
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -36.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -393.823896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.823896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.823896 (E_RNA)
where:
Base-Base interactions energy: -260.852
where: short stacking energy: -127.402
Base-Backbone interact. energy: -0.144
local terms energy: -132.828114
where:
bonds (distance) C4'-P energy: -23.383
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -29.200
flat angles P-C4'-P energy: -23.375
tors. eta vs tors. theta energy: -33.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -373.738289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.738289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.738289 (E_RNA)
where:
Base-Base interactions energy: -248.939
where: short stacking energy: -114.429
Base-Backbone interact. energy: -0.401
local terms energy: -124.397478
where:
bonds (distance) C4'-P energy: -24.687
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -27.918
flat angles P-C4'-P energy: -18.016
tors. eta vs tors. theta energy: -31.801
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: 2
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -316.569705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.569705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.569705 (E_RNA)
where:
Base-Base interactions energy: -218.250
where: short stacking energy: -84.686
Base-Backbone interact. energy: -0.016
local terms energy: -98.304448
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -26.962
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -15.924
tors. eta vs tors. theta energy: -17.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -290.239322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.239322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.239322 (E_RNA)
where:
Base-Base interactions energy: -185.202
where: short stacking energy: -90.137
Base-Backbone interact. energy: -0.523
local terms energy: -104.513755
where:
bonds (distance) C4'-P energy: -23.679
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -31.997
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -17.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -252.388826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.388826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.388826 (E_RNA)
where:
Base-Base interactions energy: -151.165
where: short stacking energy: -71.977
Base-Backbone interact. energy: -0.282
local terms energy: -100.941319
where:
bonds (distance) C4'-P energy: -22.289
bonds (distance) P-C4' energy: -20.246
flat angles C4'-P-C4' energy: -23.055
flat angles P-C4'-P energy: -21.473
tors. eta vs tors. theta energy: -13.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -231.881081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.881081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.881081 (E_RNA)
where:
Base-Base interactions energy: -134.394
where: short stacking energy: -69.338
Base-Backbone interact. energy: 0.017
local terms energy: -97.503545
where:
bonds (distance) C4'-P energy: -25.714
bonds (distance) P-C4' energy: -26.565
flat angles C4'-P-C4' energy: -22.867
flat angles P-C4'-P energy: -8.724
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: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -128.137030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.137030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.137030 (E_RNA)
where:
Base-Base interactions energy: -45.096
where: short stacking energy: -47.669
Base-Backbone interact. energy: 3.448
local terms energy: -86.489259
where:
bonds (distance) C4'-P energy: -24.255
bonds (distance) P-C4' energy: -22.704
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -508.512995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.512995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.512995 (E_RNA)
where:
Base-Base interactions energy: -357.557
where: short stacking energy: -153.550
Base-Backbone interact. energy: -0.219
local terms energy: -150.736828
where:
bonds (distance) C4'-P energy: -26.855
bonds (distance) P-C4' energy: -31.365
flat angles C4'-P-C4' energy: -31.689
flat angles P-C4'-P energy: -20.046
tors. eta vs tors. theta energy: -40.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -472.920641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.920641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.920641 (E_RNA)
where:
Base-Base interactions energy: -326.556
where: short stacking energy: -134.617
Base-Backbone interact. energy: -0.877
local terms energy: -145.488206
where:
bonds (distance) C4'-P energy: -28.920
bonds (distance) P-C4' energy: -27.877
flat angles C4'-P-C4' energy: -29.366
flat angles P-C4'-P energy: -21.110
tors. eta vs tors. theta energy: -38.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -467.534825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.534825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.534825 (E_RNA)
where:
Base-Base interactions energy: -321.694
where: short stacking energy: -130.867
Base-Backbone interact. energy: -0.489
local terms energy: -145.351976
where:
bonds (distance) C4'-P energy: -29.483
bonds (distance) P-C4' energy: -27.926
flat angles C4'-P-C4' energy: -34.116
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -38.009
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: 4
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -384.752604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.752604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.752604 (E_RNA)
where:
Base-Base interactions energy: -260.658
where: short stacking energy: -128.733
Base-Backbone interact. energy: -0.255
local terms energy: -123.839885
where:
bonds (distance) C4'-P energy: -22.700
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -31.671
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -35.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -376.929125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.929125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.929125 (E_RNA)
where:
Base-Base interactions energy: -246.338
where: short stacking energy: -109.921
Base-Backbone interact. energy: -0.165
local terms energy: -130.425519
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -28.831
flat angles C4'-P-C4' energy: -30.776
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: -30.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -294.311970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.311970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.311970 (E_RNA)
where:
Base-Base interactions energy: -191.036
where: short stacking energy: -92.032
Base-Backbone interact. energy: -0.375
local terms energy: -102.900772
where:
bonds (distance) C4'-P energy: -25.465
bonds (distance) P-C4' energy: -24.213
flat angles C4'-P-C4' energy: -26.210
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -13.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -275.034191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.034191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.034191 (E_RNA)
where:
Base-Base interactions energy: -174.894
where: short stacking energy: -94.413
Base-Backbone interact. energy: -0.375
local terms energy: -99.765485
where:
bonds (distance) C4'-P energy: -20.900
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -26.494
flat angles P-C4'-P energy: -19.586
tors. eta vs tors. theta energy: -19.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -251.086763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.086763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.086763 (E_RNA)
where:
Base-Base interactions energy: -157.498
where: short stacking energy: -72.036
Base-Backbone interact. energy: -0.290
local terms energy: -93.298870
where:
bonds (distance) C4'-P energy: -28.126
bonds (distance) P-C4' energy: -28.522
flat angles C4'-P-C4' energy: -24.731
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -258.447916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.447916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.447916 (E_RNA)
where:
Base-Base interactions energy: -157.284
where: short stacking energy: -72.098
Base-Backbone interact. energy: -0.399
local terms energy: -100.765647
where:
bonds (distance) C4'-P energy: -19.132
bonds (distance) P-C4' energy: -25.268
flat angles C4'-P-C4' energy: -25.114
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -14.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -131.857846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.857846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.857846 (E_RNA)
where:
Base-Base interactions energy: -54.334
where: short stacking energy: -37.450
Base-Backbone interact. energy: -1.341
local terms energy: -76.183107
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -23.435
flat angles C4'-P-C4' energy: -21.390
flat angles P-C4'-P energy: -21.047
tors. eta vs tors. theta energy: 7.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -509.851726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.851726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.851726 (E_RNA)
where:
Base-Base interactions energy: -359.400
where: short stacking energy: -153.517
Base-Backbone interact. energy: -1.117
local terms energy: -149.334942
where:
bonds (distance) C4'-P energy: -30.896
bonds (distance) P-C4' energy: -28.536
flat angles C4'-P-C4' energy: -26.693
flat angles P-C4'-P energy: -19.674
tors. eta vs tors. theta energy: -43.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -461.596306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.596306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.596306 (E_RNA)
where:
Base-Base interactions energy: -321.567
where: short stacking energy: -136.539
Base-Backbone interact. energy: -0.742
local terms energy: -139.287443
where:
bonds (distance) C4'-P energy: -25.287
bonds (distance) P-C4' energy: -22.364
flat angles C4'-P-C4' energy: -33.888
flat angles P-C4'-P energy: -19.472
tors. eta vs tors. theta energy: -38.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -466.563708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.563708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.563708 (E_RNA)
where:
Base-Base interactions energy: -326.720
where: short stacking energy: -129.088
Base-Backbone interact. energy: -1.054
local terms energy: -138.789622
where:
bonds (distance) C4'-P energy: -23.272
bonds (distance) P-C4' energy: -23.138
flat angles C4'-P-C4' energy: -32.390
flat angles P-C4'-P energy: -23.439
tors. eta vs tors. theta energy: -36.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -398.671744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.671744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.671744 (E_RNA)
where:
Base-Base interactions energy: -261.637
where: short stacking energy: -132.489
Base-Backbone interact. energy: -2.073
local terms energy: -134.961053
where:
bonds (distance) C4'-P energy: -28.366
bonds (distance) P-C4' energy: -22.174
flat angles C4'-P-C4' energy: -29.916
flat angles P-C4'-P energy: -16.824
tors. eta vs tors. theta energy: -37.681
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: 4
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -395.671812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.671812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.671812 (E_RNA)
where:
Base-Base interactions energy: -254.247
where: short stacking energy: -123.908
Base-Backbone interact. energy: -0.088
local terms energy: -141.336890
where:
bonds (distance) C4'-P energy: -29.829
bonds (distance) P-C4' energy: -26.184
flat angles C4'-P-C4' energy: -31.775
flat angles P-C4'-P energy: -18.064
tors. eta vs tors. theta energy: -35.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -363.730279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.730279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.730279 (E_RNA)
where:
Base-Base interactions energy: -252.298
where: short stacking energy: -99.743
Base-Backbone interact. energy: -1.553
local terms energy: -109.879012
where:
bonds (distance) C4'-P energy: -28.787
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -23.158
flat angles P-C4'-P energy: -18.576
tors. eta vs tors. theta energy: -18.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -224.978498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.978498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.978498 (E_RNA)
where:
Base-Base interactions energy: -130.520
where: short stacking energy: -68.166
Base-Backbone interact. energy: 0.805
local terms energy: -95.263819
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -22.477
flat angles C4'-P-C4' energy: -23.681
flat angles P-C4'-P energy: -20.822
tors. eta vs tors. theta energy: -8.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -226.563716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.563716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.563716 (E_RNA)
where:
Base-Base interactions energy: -124.639
where: short stacking energy: -62.075
Base-Backbone interact. energy: -1.158
local terms energy: -100.766946
where:
bonds (distance) C4'-P energy: -25.754
bonds (distance) P-C4' energy: -22.585
flat angles C4'-P-C4' energy: -25.468
flat angles P-C4'-P energy: -18.952
tors. eta vs tors. theta energy: -8.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -222.198693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.198693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.198693 (E_RNA)
where:
Base-Base interactions energy: -118.863
where: short stacking energy: -65.369
Base-Backbone interact. energy: 1.421
local terms energy: -104.756403
where:
bonds (distance) C4'-P energy: -29.100
bonds (distance) P-C4' energy: -26.532
flat angles C4'-P-C4' energy: -23.116
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -14.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -137.393401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.393401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.393401 (E_RNA)
where:
Base-Base interactions energy: -43.128
where: short stacking energy: -42.047
Base-Backbone interact. energy: 0.468
local terms energy: -94.733626
where:
bonds (distance) C4'-P energy: -23.812
bonds (distance) P-C4' energy: -29.198
flat angles C4'-P-C4' energy: -21.154
flat angles P-C4'-P energy: -17.366
tors. eta vs tors. theta energy: -3.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -515.447598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.447598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.447598 (E_RNA)
where:
Base-Base interactions energy: -357.419
where: short stacking energy: -157.039
Base-Backbone interact. energy: -0.243
local terms energy: -157.785837
where:
bonds (distance) C4'-P energy: -24.922
bonds (distance) P-C4' energy: -29.120
flat angles C4'-P-C4' energy: -32.962
flat angles P-C4'-P energy: -22.971
tors. eta vs tors. theta energy: -47.811
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: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -471.215539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.215539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.215539 (E_RNA)
where:
Base-Base interactions energy: -327.961
where: short stacking energy: -145.968
Base-Backbone interact. energy: -1.329
local terms energy: -141.925640
where:
bonds (distance) C4'-P energy: -27.374
bonds (distance) P-C4' energy: -30.361
flat angles C4'-P-C4' energy: -29.288
flat angles P-C4'-P energy: -18.076
tors. eta vs tors. theta energy: -36.826
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: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -473.270065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.270065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.270065 (E_RNA)
where:
Base-Base interactions energy: -326.570
where: short stacking energy: -137.795
Base-Backbone interact. energy: -0.885
local terms energy: -145.814890
where:
bonds (distance) C4'-P energy: -25.177
bonds (distance) P-C4' energy: -24.490
flat angles C4'-P-C4' energy: -30.738
flat angles P-C4'-P energy: -24.061
tors. eta vs tors. theta energy: -41.349
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: 4, replica: 8
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -397.014388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.014388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.014388 (E_RNA)
where:
Base-Base interactions energy: -263.619
where: short stacking energy: -127.616
Base-Backbone interact. energy: -0.114
local terms energy: -133.280846
where:
bonds (distance) C4'-P energy: -24.135
bonds (distance) P-C4' energy: -21.541
flat angles C4'-P-C4' energy: -25.556
flat angles P-C4'-P energy: -25.503
tors. eta vs tors. theta energy: -36.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -392.022726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.022726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.022726 (E_RNA)
where:
Base-Base interactions energy: -261.174
where: short stacking energy: -126.551
Base-Backbone interact. energy: -0.120
local terms energy: -130.728468
where:
bonds (distance) C4'-P energy: -30.835
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -32.175
flat angles P-C4'-P energy: -19.221
tors. eta vs tors. theta energy: -30.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -361.816314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.816314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.816314 (E_RNA)
where:
Base-Base interactions energy: -230.578
where: short stacking energy: -101.021
Base-Backbone interact. energy: -0.096
local terms energy: -131.141593
where:
bonds (distance) C4'-P energy: -29.132
bonds (distance) P-C4' energy: -32.775
flat angles C4'-P-C4' energy: -24.931
flat angles P-C4'-P energy: -22.436
tors. eta vs tors. theta energy: -21.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -262.092229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.092229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.092229 (E_RNA)
where:
Base-Base interactions energy: -163.808
where: short stacking energy: -81.740
Base-Backbone interact. energy: 0.011
local terms energy: -98.295487
where:
bonds (distance) C4'-P energy: -28.151
bonds (distance) P-C4' energy: -18.985
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -17.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -213.827431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.827431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.827431 (E_RNA)
where:
Base-Base interactions energy: -120.696
where: short stacking energy: -72.438
Base-Backbone interact. energy: -0.694
local terms energy: -92.438258
where:
bonds (distance) C4'-P energy: -26.591
bonds (distance) P-C4' energy: -28.067
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -7.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -190.385441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.385441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.385441 (E_RNA)
where:
Base-Base interactions energy: -107.025
where: short stacking energy: -58.562
Base-Backbone interact. energy: -0.648
local terms energy: -82.713119
where:
bonds (distance) C4'-P energy: -23.452
bonds (distance) P-C4' energy: -25.767
flat angles C4'-P-C4' energy: -21.854
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -139.045203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.045203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.045203 (E_RNA)
where:
Base-Base interactions energy: -54.329
where: short stacking energy: -46.907
Base-Backbone interact. energy: -1.389
local terms energy: -83.326723
where:
bonds (distance) C4'-P energy: -27.619
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -25.097
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -2.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -513.800236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.800236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.800236 (E_RNA)
where:
Base-Base interactions energy: -349.675
where: short stacking energy: -149.614
Base-Backbone interact. energy: -0.069
local terms energy: -164.055893
where:
bonds (distance) C4'-P energy: -31.852
bonds (distance) P-C4' energy: -32.454
flat angles C4'-P-C4' energy: -31.185
flat angles P-C4'-P energy: -23.429
tors. eta vs tors. theta energy: -45.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -481.599213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.599213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.599213 (E_RNA)
where:
Base-Base interactions energy: -337.751
where: short stacking energy: -136.243
Base-Backbone interact. energy: -0.744
local terms energy: -143.104576
where:
bonds (distance) C4'-P energy: -26.610
bonds (distance) P-C4' energy: -30.250
flat angles C4'-P-C4' energy: -30.210
flat angles P-C4'-P energy: -18.604
tors. eta vs tors. theta energy: -37.431
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: 1
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -459.151759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.151759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.151759 (E_RNA)
where:
Base-Base interactions energy: -325.104
where: short stacking energy: -130.420
Base-Backbone interact. energy: -0.479
local terms energy: -133.568375
where:
bonds (distance) C4'-P energy: -26.540
bonds (distance) P-C4' energy: -27.961
flat angles C4'-P-C4' energy: -24.893
flat angles P-C4'-P energy: -21.022
tors. eta vs tors. theta energy: -33.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -407.935132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.935132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.935132 (E_RNA)
where:
Base-Base interactions energy: -270.259
where: short stacking energy: -115.501
Base-Backbone interact. energy: -0.749
local terms energy: -136.927689
where:
bonds (distance) C4'-P energy: -25.833
bonds (distance) P-C4' energy: -31.768
flat angles C4'-P-C4' energy: -29.655
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -36.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -393.555123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.555123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.555123 (E_RNA)
where:
Base-Base interactions energy: -262.144
where: short stacking energy: -133.137
Base-Backbone interact. energy: 0.451
local terms energy: -131.862084
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -26.734
flat angles C4'-P-C4' energy: -29.023
flat angles P-C4'-P energy: -19.727
tors. eta vs tors. theta energy: -38.259
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: 2
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -357.791176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.791176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.791176 (E_RNA)
where:
Base-Base interactions energy: -256.432
where: short stacking energy: -106.154
Base-Backbone interact. energy: -0.387
local terms energy: -100.971460
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -24.327
flat angles C4'-P-C4' energy: -23.854
flat angles P-C4'-P energy: -16.665
tors. eta vs tors. theta energy: -17.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -303.117413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.117413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.117413 (E_RNA)
where:
Base-Base interactions energy: -192.901
where: short stacking energy: -85.697
Base-Backbone interact. energy: 0.454
local terms energy: -110.671105
where:
bonds (distance) C4'-P energy: -24.679
bonds (distance) P-C4' energy: -31.107
flat angles C4'-P-C4' energy: -23.256
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -19.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -201.643931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.643931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.643931 (E_RNA)
where:
Base-Base interactions energy: -108.105
where: short stacking energy: -60.078
Base-Backbone interact. energy: -0.403
local terms energy: -93.135889
where:
bonds (distance) C4'-P energy: -23.262
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -27.555
flat angles P-C4'-P energy: -11.904
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: 9, replica: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -202.472823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.472823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.472823 (E_RNA)
where:
Base-Base interactions energy: -106.635
where: short stacking energy: -59.162
Base-Backbone interact. energy: -0.342
local terms energy: -95.496203
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -22.681
flat angles C4'-P-C4' energy: -25.450
flat angles P-C4'-P energy: -19.649
tors. eta vs tors. theta energy: -9.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -135.805131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.805131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.805131 (E_RNA)
where:
Base-Base interactions energy: -46.984
where: short stacking energy: -46.573
Base-Backbone interact. energy: 1.250
local terms energy: -90.071158
where:
bonds (distance) C4'-P energy: -25.011
bonds (distance) P-C4' energy: -26.438
flat angles C4'-P-C4' energy: -21.197
flat angles P-C4'-P energy: -16.391
tors. eta vs tors. theta energy: -1.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -514.334082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.334082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.334082 (E_RNA)
where:
Base-Base interactions energy: -361.437
where: short stacking energy: -156.384
Base-Backbone interact. energy: -0.726
local terms energy: -152.171278
where:
bonds (distance) C4'-P energy: -29.001
bonds (distance) P-C4' energy: -28.192
flat angles C4'-P-C4' energy: -31.985
flat angles P-C4'-P energy: -20.307
tors. eta vs tors. theta energy: -42.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -482.819028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.819028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.819028 (E_RNA)
where:
Base-Base interactions energy: -339.464
where: short stacking energy: -131.415
Base-Backbone interact. energy: -0.641
local terms energy: -142.713302
where:
bonds (distance) C4'-P energy: -22.629
bonds (distance) P-C4' energy: -29.482
flat angles C4'-P-C4' energy: -31.192
flat angles P-C4'-P energy: -23.363
tors. eta vs tors. theta energy: -36.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -453.780865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.780865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.780865 (E_RNA)
where:
Base-Base interactions energy: -312.711
where: short stacking energy: -135.346
Base-Backbone interact. energy: -0.634
local terms energy: -140.435888
where:
bonds (distance) C4'-P energy: -29.459
bonds (distance) P-C4' energy: -30.676
flat angles C4'-P-C4' energy: -33.442
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -35.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -410.655559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.655559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.655559 (E_RNA)
where:
Base-Base interactions energy: -280.913
where: short stacking energy: -129.918
Base-Backbone interact. energy: -1.272
local terms energy: -128.470569
where:
bonds (distance) C4'-P energy: -22.302
bonds (distance) P-C4' energy: -29.561
flat angles C4'-P-C4' energy: -29.131
flat angles P-C4'-P energy: -16.405
tors. eta vs tors. theta energy: -31.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -391.344187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.344187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.344187 (E_RNA)
where:
Base-Base interactions energy: -259.702
where: short stacking energy: -126.386
Base-Backbone interact. energy: 2.174
local terms energy: -133.816206
where:
bonds (distance) C4'-P energy: -25.133
bonds (distance) P-C4' energy: -28.001
flat angles C4'-P-C4' energy: -30.895
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -34.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -396.730735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.730735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.730735 (E_RNA)
where:
Base-Base interactions energy: -277.277
where: short stacking energy: -119.011
Base-Backbone interact. energy: -0.385
local terms energy: -119.068333
where:
bonds (distance) C4'-P energy: -23.134
bonds (distance) P-C4' energy: -20.907
flat angles C4'-P-C4' energy: -27.494
flat angles P-C4'-P energy: -18.375
tors. eta vs tors. theta energy: -29.158
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: 10
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -334.801068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.801068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.801068 (E_RNA)
where:
Base-Base interactions energy: -215.708
where: short stacking energy: -87.405
Base-Backbone interact. energy: -0.213
local terms energy: -118.880609
where:
bonds (distance) C4'-P energy: -27.867
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -27.003
flat angles P-C4'-P energy: -23.035
tors. eta vs tors. theta energy: -20.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -237.588263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.588263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.588263 (E_RNA)
where:
Base-Base interactions energy: -141.316
where: short stacking energy: -64.007
Base-Backbone interact. energy: -0.967
local terms energy: -95.304578
where:
bonds (distance) C4'-P energy: -22.269
bonds (distance) P-C4' energy: -26.194
flat angles C4'-P-C4' energy: -23.597
flat angles P-C4'-P energy: -16.757
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: 9, replica: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -203.218429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.218429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.218429 (E_RNA)
where:
Base-Base interactions energy: -109.506
where: short stacking energy: -60.408
Base-Backbone interact. energy: -0.395
local terms energy: -93.318232
where:
bonds (distance) C4'-P energy: -26.594
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -17.185
tors. eta vs tors. theta energy: -5.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -124.874683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.874683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.874683 (E_RNA)
where:
Base-Base interactions energy: -39.568
where: short stacking energy: -38.612
Base-Backbone interact. energy: -0.269
local terms energy: -85.037457
where:
bonds (distance) C4'-P energy: -26.328
bonds (distance) P-C4' energy: -27.043
flat angles C4'-P-C4' energy: -21.921
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -1.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -496.836533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.836533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.836533 (E_RNA)
where:
Base-Base interactions energy: -351.053
where: short stacking energy: -152.187
Base-Backbone interact. energy: 0.792
local terms energy: -146.575922
where:
bonds (distance) C4'-P energy: -29.273
bonds (distance) P-C4' energy: -26.503
flat angles C4'-P-C4' energy: -27.851
flat angles P-C4'-P energy: -22.388
tors. eta vs tors. theta energy: -40.561
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: 1
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -467.773127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.773127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.773127 (E_RNA)
where:
Base-Base interactions energy: -321.604
where: short stacking energy: -128.460
Base-Backbone interact. energy: -0.941
local terms energy: -145.228036
where:
bonds (distance) C4'-P energy: -27.625
bonds (distance) P-C4' energy: -30.255
flat angles C4'-P-C4' energy: -35.641
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -39.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -452.587869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.587869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.587869 (E_RNA)
where:
Base-Base interactions energy: -315.133
where: short stacking energy: -133.208
Base-Backbone interact. energy: -0.214
local terms energy: -137.241630
where:
bonds (distance) C4'-P energy: -32.771
bonds (distance) P-C4' energy: -20.907
flat angles C4'-P-C4' energy: -26.194
flat angles P-C4'-P energy: -17.297
tors. eta vs tors. theta energy: -40.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -405.651781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.651781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.651781 (E_RNA)
where:
Base-Base interactions energy: -270.402
where: short stacking energy: -134.806
Base-Backbone interact. energy: -0.009
local terms energy: -135.240733
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -24.602
flat angles C4'-P-C4' energy: -34.163
flat angles P-C4'-P energy: -19.279
tors. eta vs tors. theta energy: -38.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -391.053010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.053010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.053010 (E_RNA)
where:
Base-Base interactions energy: -256.046
where: short stacking energy: -115.873
Base-Backbone interact. energy: -0.640
local terms energy: -134.367026
where:
bonds (distance) C4'-P energy: -26.631
bonds (distance) P-C4' energy: -25.519
flat angles C4'-P-C4' energy: -26.050
flat angles P-C4'-P energy: -17.008
tors. eta vs tors. theta energy: -39.159
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: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -380.420183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.420183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.420183 (E_RNA)
where:
Base-Base interactions energy: -256.690
where: short stacking energy: -105.855
Base-Backbone interact. energy: 0.352
local terms energy: -124.081585
where:
bonds (distance) C4'-P energy: -28.353
bonds (distance) P-C4' energy: -24.587
flat angles C4'-P-C4' energy: -26.318
flat angles P-C4'-P energy: -14.490
tors. eta vs tors. theta energy: -30.333
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: 10
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -335.947323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.947323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.947323 (E_RNA)
where:
Base-Base interactions energy: -224.789
where: short stacking energy: -95.906
Base-Backbone interact. energy: -2.360
local terms energy: -108.798173
where:
bonds (distance) C4'-P energy: -26.228
bonds (distance) P-C4' energy: -21.366
flat angles C4'-P-C4' energy: -29.320
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -18.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -207.340024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.340024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.340024 (E_RNA)
where:
Base-Base interactions energy: -120.657
where: short stacking energy: -59.835
Base-Backbone interact. energy: 1.475
local terms energy: -88.157730
where:
bonds (distance) C4'-P energy: -25.310
bonds (distance) P-C4' energy: -23.896
flat angles C4'-P-C4' energy: -29.214
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -3.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -211.464167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.464167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.464167 (E_RNA)
where:
Base-Base interactions energy: -125.853
where: short stacking energy: -63.400
Base-Backbone interact. energy: -0.268
local terms energy: -85.343792
where:
bonds (distance) C4'-P energy: -21.565
bonds (distance) P-C4' energy: -30.806
flat angles C4'-P-C4' energy: -23.796
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -0.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -127.997986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.997986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.997986 (E_RNA)
where:
Base-Base interactions energy: -40.335
where: short stacking energy: -35.388
Base-Backbone interact. energy: -0.461
local terms energy: -87.202133
where:
bonds (distance) C4'-P energy: -27.965
bonds (distance) P-C4' energy: -28.784
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: 1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -504.356275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.356275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.356275 (E_RNA)
where:
Base-Base interactions energy: -356.851
where: short stacking energy: -150.112
Base-Backbone interact. energy: -0.484
local terms energy: -147.020920
where:
bonds (distance) C4'-P energy: -24.849
bonds (distance) P-C4' energy: -27.498
flat angles C4'-P-C4' energy: -31.868
flat angles P-C4'-P energy: -19.580
tors. eta vs tors. theta energy: -43.227
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: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -475.808999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.808999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.808999 (E_RNA)
where:
Base-Base interactions energy: -326.490
where: short stacking energy: -137.212
Base-Backbone interact. energy: -0.392
local terms energy: -148.926970
where:
bonds (distance) C4'-P energy: -29.178
bonds (distance) P-C4' energy: -31.846
flat angles C4'-P-C4' energy: -29.278
flat angles P-C4'-P energy: -16.221
tors. eta vs tors. theta energy: -42.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -455.822589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.822589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.822589 (E_RNA)
where:
Base-Base interactions energy: -312.237
where: short stacking energy: -141.122
Base-Backbone interact. energy: -0.407
local terms energy: -143.179135
where:
bonds (distance) C4'-P energy: -32.487
bonds (distance) P-C4' energy: -27.504
flat angles C4'-P-C4' energy: -30.934
flat angles P-C4'-P energy: -15.894
tors. eta vs tors. theta energy: -36.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -397.661172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.661172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.661172 (E_RNA)
where:
Base-Base interactions energy: -260.939
where: short stacking energy: -131.373
Base-Backbone interact. energy: -0.165
local terms energy: -136.557570
where:
bonds (distance) C4'-P energy: -21.629
bonds (distance) P-C4' energy: -29.111
flat angles C4'-P-C4' energy: -31.031
flat angles P-C4'-P energy: -17.006
tors. eta vs tors. theta energy: -37.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -396.715867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.715867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.715867 (E_RNA)
where:
Base-Base interactions energy: -253.476
where: short stacking energy: -131.064
Base-Backbone interact. energy: -1.626
local terms energy: -141.614603
where:
bonds (distance) C4'-P energy: -23.647
bonds (distance) P-C4' energy: -30.640
flat angles C4'-P-C4' energy: -30.147
flat angles P-C4'-P energy: -17.295
tors. eta vs tors. theta energy: -39.885
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: 2
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -374.143718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.143718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.143718 (E_RNA)
where:
Base-Base interactions energy: -261.476
where: short stacking energy: -108.027
Base-Backbone interact. energy: -0.578
local terms energy: -112.089320
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -31.352
flat angles C4'-P-C4' energy: -26.618
flat angles P-C4'-P energy: -16.109
tors. eta vs tors. theta energy: -20.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -357.031964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.031964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.031964 (E_RNA)
where:
Base-Base interactions energy: -240.345
where: short stacking energy: -95.900
Base-Backbone interact. energy: -0.632
local terms energy: -116.054918
where:
bonds (distance) C4'-P energy: -26.791
bonds (distance) P-C4' energy: -26.968
flat angles C4'-P-C4' energy: -23.267
flat angles P-C4'-P energy: -21.049
tors. eta vs tors. theta energy: -17.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -215.178625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.178625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.178625 (E_RNA)
where:
Base-Base interactions energy: -106.752
where: short stacking energy: -58.984
Base-Backbone interact. energy: -0.463
local terms energy: -107.963190
where:
bonds (distance) C4'-P energy: -24.512
bonds (distance) P-C4' energy: -29.359
flat angles C4'-P-C4' energy: -19.994
flat angles P-C4'-P energy: -22.942
tors. eta vs tors. theta energy: -11.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -233.831845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.831845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.831845 (E_RNA)
where:
Base-Base interactions energy: -139.650
where: short stacking energy: -51.163
Base-Backbone interact. energy: -1.425
local terms energy: -92.756575
where:
bonds (distance) C4'-P energy: -25.525
bonds (distance) P-C4' energy: -26.686
flat angles C4'-P-C4' energy: -18.834
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -10.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -130.042706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.042706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.042706 (E_RNA)
where:
Base-Base interactions energy: -48.101
where: short stacking energy: -46.513
Base-Backbone interact. energy: 0.346
local terms energy: -82.287732
where:
bonds (distance) C4'-P energy: -20.683
bonds (distance) P-C4' energy: -22.278
flat angles C4'-P-C4' energy: -21.956
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -3.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -500.544861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.544861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.544861 (E_RNA)
where:
Base-Base interactions energy: -339.519
where: short stacking energy: -150.001
Base-Backbone interact. energy: -0.532
local terms energy: -160.493712
where:
bonds (distance) C4'-P energy: -28.432
bonds (distance) P-C4' energy: -32.838
flat angles C4'-P-C4' energy: -34.750
flat angles P-C4'-P energy: -22.381
tors. eta vs tors. theta energy: -42.092
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: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -491.528945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.528945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.528945 (E_RNA)
where:
Base-Base interactions energy: -342.654
where: short stacking energy: -143.196
Base-Backbone interact. energy: -0.778
local terms energy: -148.097095
where:
bonds (distance) C4'-P energy: -29.389
bonds (distance) P-C4' energy: -31.523
flat angles C4'-P-C4' energy: -31.211
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -38.266
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: 3, replica: 5
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -447.411678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.411678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.411678 (E_RNA)
where:
Base-Base interactions energy: -305.207
where: short stacking energy: -127.556
Base-Backbone interact. energy: -0.517
local terms energy: -141.687714
where:
bonds (distance) C4'-P energy: -26.423
bonds (distance) P-C4' energy: -24.810
flat angles C4'-P-C4' energy: -29.631
flat angles P-C4'-P energy: -26.397
tors. eta vs tors. theta energy: -34.427
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: 4, replica: 8
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -423.905099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.905099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.905099 (E_RNA)
where:
Base-Base interactions energy: -268.436
where: short stacking energy: -139.308
Base-Backbone interact. energy: 0.113
local terms energy: -155.582285
where:
bonds (distance) C4'-P energy: -27.241
bonds (distance) P-C4' energy: -30.933
flat angles C4'-P-C4' energy: -32.089
flat angles P-C4'-P energy: -20.144
tors. eta vs tors. theta energy: -45.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -398.595217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.595217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.595217 (E_RNA)
where:
Base-Base interactions energy: -264.930
where: short stacking energy: -132.098
Base-Backbone interact. energy: -2.382
local terms energy: -131.283136
where:
bonds (distance) C4'-P energy: -22.245
bonds (distance) P-C4' energy: -24.968
flat angles C4'-P-C4' energy: -31.196
flat angles P-C4'-P energy: -17.769
tors. eta vs tors. theta energy: -35.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -374.070511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.070511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.070511 (E_RNA)
where:
Base-Base interactions energy: -256.139
where: short stacking energy: -116.595
Base-Backbone interact. energy: 2.406
local terms energy: -120.337548
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -27.641
flat angles C4'-P-C4' energy: -29.417
flat angles P-C4'-P energy: -14.917
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: 7, replica: 10
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -335.217032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.217032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.217032 (E_RNA)
where:
Base-Base interactions energy: -227.323
where: short stacking energy: -91.158
Base-Backbone interact. energy: -0.821
local terms energy: -107.073028
where:
bonds (distance) C4'-P energy: -24.008
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -27.214
flat angles P-C4'-P energy: -18.992
tors. eta vs tors. theta energy: -16.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -220.478945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.478945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.478945 (E_RNA)
where:
Base-Base interactions energy: -119.564
where: short stacking energy: -68.062
Base-Backbone interact. energy: -0.278
local terms energy: -100.637564
where:
bonds (distance) C4'-P energy: -27.423
bonds (distance) P-C4' energy: -27.379
flat angles C4'-P-C4' energy: -20.069
flat angles P-C4'-P energy: -15.471
tors. eta vs tors. theta energy: -10.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -197.203857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.203857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.203857 (E_RNA)
where:
Base-Base interactions energy: -98.628
where: short stacking energy: -51.860
Base-Backbone interact. energy: -1.101
local terms energy: -97.475570
where:
bonds (distance) C4'-P energy: -23.950
bonds (distance) P-C4' energy: -27.957
flat angles C4'-P-C4' energy: -19.462
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -11.883
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: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -136.845549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.845549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.845549 (E_RNA)
where:
Base-Base interactions energy: -63.794
where: short stacking energy: -46.362
Base-Backbone interact. energy: -0.442
local terms energy: -72.609643
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -26.850
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -15.394
tors. eta vs tors. theta energy: -3.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -496.494624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.494624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.494624 (E_RNA)
where:
Base-Base interactions energy: -347.165
where: short stacking energy: -138.987
Base-Backbone interact. energy: -0.496
local terms energy: -148.833788
where:
bonds (distance) C4'-P energy: -27.411
bonds (distance) P-C4' energy: -29.230
flat angles C4'-P-C4' energy: -30.122
flat angles P-C4'-P energy: -23.566
tors. eta vs tors. theta energy: -38.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -475.796060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.796060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.796060 (E_RNA)
where:
Base-Base interactions energy: -333.933
where: short stacking energy: -139.942
Base-Backbone interact. energy: -0.665
local terms energy: -141.197668
where:
bonds (distance) C4'-P energy: -24.955
bonds (distance) P-C4' energy: -29.540
flat angles C4'-P-C4' energy: -29.514
flat angles P-C4'-P energy: -18.786
tors. eta vs tors. theta energy: -38.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -483.152312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.152312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.152312 (E_RNA)
where:
Base-Base interactions energy: -336.394
where: short stacking energy: -140.648
Base-Backbone interact. energy: -1.127
local terms energy: -145.631507
where:
bonds (distance) C4'-P energy: -29.662
bonds (distance) P-C4' energy: -25.622
flat angles C4'-P-C4' energy: -31.140
flat angles P-C4'-P energy: -19.982
tors. eta vs tors. theta energy: -39.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -404.844188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.844188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.844188 (E_RNA)
where:
Base-Base interactions energy: -261.427
where: short stacking energy: -129.342
Base-Backbone interact. energy: -0.089
local terms energy: -143.328011
where:
bonds (distance) C4'-P energy: -30.067
bonds (distance) P-C4' energy: -28.978
flat angles C4'-P-C4' energy: -34.055
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -35.713
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: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -415.856001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.856001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.856001 (E_RNA)
where:
Base-Base interactions energy: -295.899
where: short stacking energy: -121.822
Base-Backbone interact. energy: -0.075
local terms energy: -119.881272
where:
bonds (distance) C4'-P energy: -25.821
bonds (distance) P-C4' energy: -25.953
flat angles C4'-P-C4' energy: -19.993
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -37.975
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: 4
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -392.045535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.045535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.045535 (E_RNA)
where:
Base-Base interactions energy: -268.898
where: short stacking energy: -129.148
Base-Backbone interact. energy: -0.495
local terms energy: -122.651992
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -23.448
flat angles C4'-P-C4' energy: -29.089
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -36.717
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: 52
Temperature: 1.200000
Total energy: -334.691511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.691511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.691511 (E_RNA)
where:
Base-Base interactions energy: -225.110
where: short stacking energy: -99.737
Base-Backbone interact. energy: -0.712
local terms energy: -108.868899
where:
bonds (distance) C4'-P energy: -23.091
bonds (distance) P-C4' energy: -28.235
flat angles C4'-P-C4' energy: -25.910
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -20.674
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: 7
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -251.386314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.386314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.386314 (E_RNA)
where:
Base-Base interactions energy: -143.138
where: short stacking energy: -81.643
Base-Backbone interact. energy: -0.346
local terms energy: -107.902444
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -22.597
flat angles C4'-P-C4' energy: -28.805
flat angles P-C4'-P energy: -16.738
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: 9, replica: 3
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -198.585234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.585234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.585234 (E_RNA)
where:
Base-Base interactions energy: -92.681
where: short stacking energy: -52.440
Base-Backbone interact. energy: -0.352
local terms energy: -105.552598
where:
bonds (distance) C4'-P energy: -24.840
bonds (distance) P-C4' energy: -27.571
flat angles C4'-P-C4' energy: -23.239
flat angles P-C4'-P energy: -21.458
tors. eta vs tors. theta energy: -8.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -131.723949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.723949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.723949 (E_RNA)
where:
Base-Base interactions energy: -51.449
where: short stacking energy: -39.292
Base-Backbone interact. energy: -1.807
local terms energy: -78.468694
where:
bonds (distance) C4'-P energy: -26.891
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -25.244
flat angles P-C4'-P energy: -17.585
tors. eta vs tors. theta energy: 8.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -485.987349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.987349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.987349 (E_RNA)
where:
Base-Base interactions energy: -340.960
where: short stacking energy: -141.933
Base-Backbone interact. energy: -0.130
local terms energy: -144.897723
where:
bonds (distance) C4'-P energy: -26.400
bonds (distance) P-C4' energy: -30.350
flat angles C4'-P-C4' energy: -30.711
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -38.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -480.828000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.828000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.828000 (E_RNA)
where:
Base-Base interactions energy: -336.960
where: short stacking energy: -141.368
Base-Backbone interact. energy: -0.885
local terms energy: -142.982742
where:
bonds (distance) C4'-P energy: -28.185
bonds (distance) P-C4' energy: -23.205
flat angles C4'-P-C4' energy: -30.323
flat angles P-C4'-P energy: -23.987
tors. eta vs tors. theta energy: -37.282
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: 1
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -467.272019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.272019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.272019 (E_RNA)
where:
Base-Base interactions energy: -333.572
where: short stacking energy: -132.974
Base-Backbone interact. energy: -0.307
local terms energy: -133.393024
where:
bonds (distance) C4'-P energy: -27.821
bonds (distance) P-C4' energy: -30.997
flat angles C4'-P-C4' energy: -28.436
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -38.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -420.797170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.797170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.797170 (E_RNA)
where:
Base-Base interactions energy: -289.480
where: short stacking energy: -122.093
Base-Backbone interact. energy: 0.714
local terms energy: -132.031969
where:
bonds (distance) C4'-P energy: -31.150
bonds (distance) P-C4' energy: -23.357
flat angles C4'-P-C4' energy: -28.166
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -34.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -389.516021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.516021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.516021 (E_RNA)
where:
Base-Base interactions energy: -248.455
where: short stacking energy: -127.250
Base-Backbone interact. energy: -0.851
local terms energy: -140.210361
where:
bonds (distance) C4'-P energy: -26.246
bonds (distance) P-C4' energy: -28.575
flat angles C4'-P-C4' energy: -27.539
flat angles P-C4'-P energy: -18.692
tors. eta vs tors. theta energy: -39.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -368.972495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.972495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.972495 (E_RNA)
where:
Base-Base interactions energy: -240.571
where: short stacking energy: -110.652
Base-Backbone interact. energy: 0.400
local terms energy: -128.801312
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -27.677
flat angles C4'-P-C4' energy: -30.369
flat angles P-C4'-P energy: -23.589
tors. eta vs tors. theta energy: -30.803
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: 10
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -325.814145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.814145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.814145 (E_RNA)
where:
Base-Base interactions energy: -209.638
where: short stacking energy: -82.503
Base-Backbone interact. energy: 0.646
local terms energy: -116.822229
where:
bonds (distance) C4'-P energy: -26.094
bonds (distance) P-C4' energy: -33.144
flat angles C4'-P-C4' energy: -20.677
flat angles P-C4'-P energy: -18.098
tors. eta vs tors. theta energy: -18.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -211.355640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.355640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.355640 (E_RNA)
where:
Base-Base interactions energy: -105.592
where: short stacking energy: -51.636
Base-Backbone interact. energy: 0.520
local terms energy: -106.283936
where:
bonds (distance) C4'-P energy: -27.646
bonds (distance) P-C4' energy: -23.455
flat angles C4'-P-C4' energy: -21.568
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: -16.135
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: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -208.998881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.998881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.998881 (E_RNA)
where:
Base-Base interactions energy: -119.319
where: short stacking energy: -63.751
Base-Backbone interact. energy: -0.211
local terms energy: -89.468253
where:
bonds (distance) C4'-P energy: -25.746
bonds (distance) P-C4' energy: -23.507
flat angles C4'-P-C4' energy: -22.111
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -11.938
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: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -134.292607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.292607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.292607 (E_RNA)
where:
Base-Base interactions energy: -49.086
where: short stacking energy: -45.440
Base-Backbone interact. energy: -0.142
local terms energy: -85.064839
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -23.984
flat angles C4'-P-C4' energy: -22.089
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -6.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -484.667175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.667175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.667175 (E_RNA)
where:
Base-Base interactions energy: -339.950
where: short stacking energy: -136.203
Base-Backbone interact. energy: -0.793
local terms energy: -143.924261
where:
bonds (distance) C4'-P energy: -27.765
bonds (distance) P-C4' energy: -30.035
flat angles C4'-P-C4' energy: -32.110
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -37.506
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: 6
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -493.304946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.304946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.304946 (E_RNA)
where:
Base-Base interactions energy: -338.076
where: short stacking energy: -144.838
Base-Backbone interact. energy: -0.138
local terms energy: -155.091150
where:
bonds (distance) C4'-P energy: -27.440
bonds (distance) P-C4' energy: -29.437
flat angles C4'-P-C4' energy: -35.998
flat angles P-C4'-P energy: -23.100
tors. eta vs tors. theta energy: -39.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -482.840432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.840432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.840432 (E_RNA)
where:
Base-Base interactions energy: -335.906
where: short stacking energy: -142.652
Base-Backbone interact. energy: -0.113
local terms energy: -146.820877
where:
bonds (distance) C4'-P energy: -28.152
bonds (distance) P-C4' energy: -33.109
flat angles C4'-P-C4' energy: -27.894
flat angles P-C4'-P energy: -21.952
tors. eta vs tors. theta energy: -35.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -410.498305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.498305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.498305 (E_RNA)
where:
Base-Base interactions energy: -282.076
where: short stacking energy: -134.023
Base-Backbone interact. energy: -0.440
local terms energy: -127.981879
where:
bonds (distance) C4'-P energy: -26.196
bonds (distance) P-C4' energy: -30.012
flat angles C4'-P-C4' energy: -25.150
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -31.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -387.348386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.348386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.348386 (E_RNA)
where:
Base-Base interactions energy: -253.214
where: short stacking energy: -122.082
Base-Backbone interact. energy: -2.458
local terms energy: -131.675745
where:
bonds (distance) C4'-P energy: -26.007
bonds (distance) P-C4' energy: -21.622
flat angles C4'-P-C4' energy: -33.651
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -36.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -383.426161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.426161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.426161 (E_RNA)
where:
Base-Base interactions energy: -255.976
where: short stacking energy: -119.459
Base-Backbone interact. energy: -0.418
local terms energy: -127.032115
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -25.216
flat angles C4'-P-C4' energy: -22.091
flat angles P-C4'-P energy: -21.948
tors. eta vs tors. theta energy: -40.467
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: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -324.955468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.955468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.955468 (E_RNA)
where:
Base-Base interactions energy: -216.683
where: short stacking energy: -93.095
Base-Backbone interact. energy: -0.306
local terms energy: -107.966305
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -23.746
flat angles C4'-P-C4' energy: -24.277
flat angles P-C4'-P energy: -15.159
tors. eta vs tors. theta energy: -24.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -254.820399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.820399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.820399 (E_RNA)
where:
Base-Base interactions energy: -148.738
where: short stacking energy: -77.397
Base-Backbone interact. energy: -0.126
local terms energy: -105.956938
where:
bonds (distance) C4'-P energy: -29.108
bonds (distance) P-C4' energy: -30.650
flat angles C4'-P-C4' energy: -22.349
flat angles P-C4'-P energy: -16.718
tors. eta vs tors. theta energy: -7.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -210.660245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.660245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.660245 (E_RNA)
where:
Base-Base interactions energy: -106.235
where: short stacking energy: -57.336
Base-Backbone interact. energy: 0.005
local terms energy: -104.430211
where:
bonds (distance) C4'-P energy: -32.689
bonds (distance) P-C4' energy: -23.319
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -16.962
tors. eta vs tors. theta energy: -8.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -133.282119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.282119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.282119 (E_RNA)
where:
Base-Base interactions energy: -50.699
where: short stacking energy: -51.404
Base-Backbone interact. energy: -0.351
local terms energy: -82.232574
where:
bonds (distance) C4'-P energy: -23.394
bonds (distance) P-C4' energy: -25.033
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -489.268875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.268875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.268875 (E_RNA)
where:
Base-Base interactions energy: -339.948
where: short stacking energy: -140.325
Base-Backbone interact. energy: -2.037
local terms energy: -147.283762
where:
bonds (distance) C4'-P energy: -29.016
bonds (distance) P-C4' energy: -30.893
flat angles C4'-P-C4' energy: -29.016
flat angles P-C4'-P energy: -21.242
tors. eta vs tors. theta energy: -37.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -479.627483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.627483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.627483 (E_RNA)
where:
Base-Base interactions energy: -333.703
where: short stacking energy: -138.025
Base-Backbone interact. energy: 1.027
local terms energy: -146.952182
where:
bonds (distance) C4'-P energy: -26.938
bonds (distance) P-C4' energy: -29.207
flat angles C4'-P-C4' energy: -31.343
flat angles P-C4'-P energy: -22.527
tors. eta vs tors. theta energy: -36.938
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: 6
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -488.526553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.526553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.526553 (E_RNA)
where:
Base-Base interactions energy: -334.003
where: short stacking energy: -138.711
Base-Backbone interact. energy: -0.253
local terms energy: -154.270860
where:
bonds (distance) C4'-P energy: -28.741
bonds (distance) P-C4' energy: -32.687
flat angles C4'-P-C4' energy: -27.411
flat angles P-C4'-P energy: -19.845
tors. eta vs tors. theta energy: -45.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -432.258168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.258168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.258168 (E_RNA)
where:
Base-Base interactions energy: -300.103
where: short stacking energy: -139.459
Base-Backbone interact. energy: -0.209
local terms energy: -131.946168
where:
bonds (distance) C4'-P energy: -25.117
bonds (distance) P-C4' energy: -23.203
flat angles C4'-P-C4' energy: -29.429
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -37.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -387.852902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.852902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.852902 (E_RNA)
where:
Base-Base interactions energy: -254.620
where: short stacking energy: -112.178
Base-Backbone interact. energy: -0.074
local terms energy: -133.158879
where:
bonds (distance) C4'-P energy: -30.213
bonds (distance) P-C4' energy: -27.903
flat angles C4'-P-C4' energy: -23.133
flat angles P-C4'-P energy: -16.822
tors. eta vs tors. theta energy: -35.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -376.664658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.664658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.664658 (E_RNA)
where:
Base-Base interactions energy: -245.346
where: short stacking energy: -111.659
Base-Backbone interact. energy: -1.394
local terms energy: -129.924808
where:
bonds (distance) C4'-P energy: -26.571
bonds (distance) P-C4' energy: -25.103
flat angles C4'-P-C4' energy: -29.894
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: -32.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -343.903108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.903108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.903108 (E_RNA)
where:
Base-Base interactions energy: -222.758
where: short stacking energy: -96.182
Base-Backbone interact. energy: -0.174
local terms energy: -120.971401
where:
bonds (distance) C4'-P energy: -26.802
bonds (distance) P-C4' energy: -30.750
flat angles C4'-P-C4' energy: -23.090
flat angles P-C4'-P energy: -19.909
tors. eta vs tors. theta energy: -20.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -278.261181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.261181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.261181 (E_RNA)
where:
Base-Base interactions energy: -167.375
where: short stacking energy: -88.789
Base-Backbone interact. energy: -0.508
local terms energy: -110.379020
where:
bonds (distance) C4'-P energy: -26.100
bonds (distance) P-C4' energy: -25.265
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -20.624
tors. eta vs tors. theta energy: -19.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -209.722757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.722757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.722757 (E_RNA)
where:
Base-Base interactions energy: -117.091
where: short stacking energy: -74.134
Base-Backbone interact. energy: -0.485
local terms energy: -92.146919
where:
bonds (distance) C4'-P energy: -20.831
bonds (distance) P-C4' energy: -23.363
flat angles C4'-P-C4' energy: -19.086
flat angles P-C4'-P energy: -22.244
tors. eta vs tors. theta energy: -6.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -129.070148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.070148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.070148 (E_RNA)
where:
Base-Base interactions energy: -39.942
where: short stacking energy: -36.699
Base-Backbone interact. energy: -0.555
local terms energy: -88.572747
where:
bonds (distance) C4'-P energy: -21.848
bonds (distance) P-C4' energy: -30.384
flat angles C4'-P-C4' energy: -23.741
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -1.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -497.294881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.294881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.294881 (E_RNA)
where:
Base-Base interactions energy: -346.858
where: short stacking energy: -134.997
Base-Backbone interact. energy: -0.971
local terms energy: -149.465983
where:
bonds (distance) C4'-P energy: -30.531
bonds (distance) P-C4' energy: -32.781
flat angles C4'-P-C4' energy: -31.357
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -36.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -467.037003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.037003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.037003 (E_RNA)
where:
Base-Base interactions energy: -340.575
where: short stacking energy: -134.993
Base-Backbone interact. energy: -0.730
local terms energy: -125.731631
where:
bonds (distance) C4'-P energy: -24.578
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -31.353
flat angles P-C4'-P energy: -17.148
tors. eta vs tors. theta energy: -33.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -489.218993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.218993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.218993 (E_RNA)
where:
Base-Base interactions energy: -343.222
where: short stacking energy: -150.284
Base-Backbone interact. energy: -0.505
local terms energy: -145.491910
where:
bonds (distance) C4'-P energy: -21.130
bonds (distance) P-C4' energy: -27.663
flat angles C4'-P-C4' energy: -29.862
flat angles P-C4'-P energy: -20.800
tors. eta vs tors. theta energy: -46.038
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: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -415.646980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.646980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.646980 (E_RNA)
where:
Base-Base interactions energy: -283.090
where: short stacking energy: -114.995
Base-Backbone interact. energy: -0.368
local terms energy: -132.188696
where:
bonds (distance) C4'-P energy: -30.039
bonds (distance) P-C4' energy: -28.851
flat angles C4'-P-C4' energy: -32.077
flat angles P-C4'-P energy: -15.238
tors. eta vs tors. theta energy: -25.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -396.113172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.113172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.113172 (E_RNA)
where:
Base-Base interactions energy: -253.119
where: short stacking energy: -118.789
Base-Backbone interact. energy: -0.600
local terms energy: -142.394299
where:
bonds (distance) C4'-P energy: -31.335
bonds (distance) P-C4' energy: -22.753
flat angles C4'-P-C4' energy: -33.405
flat angles P-C4'-P energy: -20.751
tors. eta vs tors. theta energy: -34.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -378.360049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.360049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.360049 (E_RNA)
where:
Base-Base interactions energy: -245.777
where: short stacking energy: -132.268
Base-Backbone interact. energy: 1.853
local terms energy: -134.435691
where:
bonds (distance) C4'-P energy: -26.422
bonds (distance) P-C4' energy: -24.977
flat angles C4'-P-C4' energy: -30.405
flat angles P-C4'-P energy: -17.898
tors. eta vs tors. theta energy: -34.733
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: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -286.614705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.614705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.614705 (E_RNA)
where:
Base-Base interactions energy: -182.987
where: short stacking energy: -88.879
Base-Backbone interact. energy: -1.266
local terms energy: -102.362292
where:
bonds (distance) C4'-P energy: -23.672
bonds (distance) P-C4' energy: -22.675
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -17.715
tors. eta vs tors. theta energy: -16.044
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: 56
Temperature: 1.250000
Total energy: -335.765115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.765115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.765115 (E_RNA)
where:
Base-Base interactions energy: -202.353
where: short stacking energy: -96.044
Base-Backbone interact. energy: -0.791
local terms energy: -132.621466
where:
bonds (distance) C4'-P energy: -28.530
bonds (distance) P-C4' energy: -28.970
flat angles C4'-P-C4' energy: -29.080
flat angles P-C4'-P energy: -21.829
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: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -215.324468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.324468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.324468 (E_RNA)
where:
Base-Base interactions energy: -138.027
where: short stacking energy: -68.004
Base-Backbone interact. energy: -1.394
local terms energy: -75.903852
where:
bonds (distance) C4'-P energy: -24.068
bonds (distance) P-C4' energy: -27.063
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -1.641
tors. eta vs tors. theta energy: -4.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -124.418494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.418494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.418494 (E_RNA)
where:
Base-Base interactions energy: -38.788
where: short stacking energy: -28.787
Base-Backbone interact. energy: -0.291
local terms energy: -85.339126
where:
bonds (distance) C4'-P energy: -30.104
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -22.127
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: 3.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -495.662188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.662188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.662188 (E_RNA)
where:
Base-Base interactions energy: -347.016
where: short stacking energy: -131.460
Base-Backbone interact. energy: -0.380
local terms energy: -148.266161
where:
bonds (distance) C4'-P energy: -25.836
bonds (distance) P-C4' energy: -31.837
flat angles C4'-P-C4' energy: -32.003
flat angles P-C4'-P energy: -22.460
tors. eta vs tors. theta energy: -36.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -501.542383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.542383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.542383 (E_RNA)
where:
Base-Base interactions energy: -348.064
where: short stacking energy: -157.565
Base-Backbone interact. energy: 0.020
local terms energy: -153.499138
where:
bonds (distance) C4'-P energy: -29.983
bonds (distance) P-C4' energy: -26.648
flat angles C4'-P-C4' energy: -32.257
flat angles P-C4'-P energy: -19.421
tors. eta vs tors. theta energy: -45.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -468.647028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.647028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.647028 (E_RNA)
where:
Base-Base interactions energy: -330.339
where: short stacking energy: -138.958
Base-Backbone interact. energy: -1.538
local terms energy: -136.769935
where:
bonds (distance) C4'-P energy: -22.791
bonds (distance) P-C4' energy: -24.785
flat angles C4'-P-C4' energy: -32.445
flat angles P-C4'-P energy: -22.436
tors. eta vs tors. theta energy: -34.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -421.452618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.452618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.452618 (E_RNA)
where:
Base-Base interactions energy: -293.727
where: short stacking energy: -124.655
Base-Backbone interact. energy: -0.450
local terms energy: -127.275846
where:
bonds (distance) C4'-P energy: -26.450
bonds (distance) P-C4' energy: -24.519
flat angles C4'-P-C4' energy: -26.853
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: -35.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -363.363734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.363734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.363734 (E_RNA)
where:
Base-Base interactions energy: -231.148
where: short stacking energy: -105.945
Base-Backbone interact. energy: -0.810
local terms energy: -131.406256
where:
bonds (distance) C4'-P energy: -26.528
bonds (distance) P-C4' energy: -27.312
flat angles C4'-P-C4' energy: -30.504
flat angles P-C4'-P energy: -16.798
tors. eta vs tors. theta energy: -30.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -379.165887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.165887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.165887 (E_RNA)
where:
Base-Base interactions energy: -245.499
where: short stacking energy: -125.072
Base-Backbone interact. energy: -0.038
local terms energy: -133.628043
where:
bonds (distance) C4'-P energy: -21.076
bonds (distance) P-C4' energy: -23.114
flat angles C4'-P-C4' energy: -30.511
flat angles P-C4'-P energy: -22.275
tors. eta vs tors. theta energy: -36.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -287.542716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.542716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.542716 (E_RNA)
where:
Base-Base interactions energy: -169.147
where: short stacking energy: -81.010
Base-Backbone interact. energy: -0.451
local terms energy: -117.944554
where:
bonds (distance) C4'-P energy: -28.724
bonds (distance) P-C4' energy: -28.938
flat angles C4'-P-C4' energy: -20.560
flat angles P-C4'-P energy: -19.322
tors. eta vs tors. theta energy: -20.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -318.060783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.060783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.060783 (E_RNA)
where:
Base-Base interactions energy: -204.373
where: short stacking energy: -91.473
Base-Backbone interact. energy: -0.056
local terms energy: -113.631136
where:
bonds (distance) C4'-P energy: -23.533
bonds (distance) P-C4' energy: -23.975
flat angles C4'-P-C4' energy: -25.509
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: -24.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -222.536001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.536001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.536001 (E_RNA)
where:
Base-Base interactions energy: -122.220
where: short stacking energy: -59.094
Base-Backbone interact. energy: 0.137
local terms energy: -100.452657
where:
bonds (distance) C4'-P energy: -20.720
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -28.073
flat angles P-C4'-P energy: -15.451
tors. eta vs tors. theta energy: -13.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -145.963903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.963903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.963903 (E_RNA)
where:
Base-Base interactions energy: -62.748
where: short stacking energy: -48.484
Base-Backbone interact. energy: -0.251
local terms energy: -82.964787
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -28.726
flat angles C4'-P-C4' energy: -20.112
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -2.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -506.960223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.960223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.960223 (E_RNA)
where:
Base-Base interactions energy: -352.228
where: short stacking energy: -144.548
Base-Backbone interact. energy: 0.075
local terms energy: -154.807196
where:
bonds (distance) C4'-P energy: -27.650
bonds (distance) P-C4' energy: -31.429
flat angles C4'-P-C4' energy: -34.890
flat angles P-C4'-P energy: -24.817
tors. eta vs tors. theta energy: -36.021
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: 5
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -478.148876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.148876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.148876 (E_RNA)
where:
Base-Base interactions energy: -337.199
where: short stacking energy: -134.304
Base-Backbone interact. energy: -0.920
local terms energy: -140.029442
where:
bonds (distance) C4'-P energy: -26.503
bonds (distance) P-C4' energy: -26.950
flat angles C4'-P-C4' energy: -30.825
flat angles P-C4'-P energy: -16.527
tors. eta vs tors. theta energy: -39.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -471.261544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.261544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.261544 (E_RNA)
where:
Base-Base interactions energy: -331.333
where: short stacking energy: -132.968
Base-Backbone interact. energy: -0.284
local terms energy: -139.644026
where:
bonds (distance) C4'-P energy: -30.596
bonds (distance) P-C4' energy: -25.667
flat angles C4'-P-C4' energy: -27.737
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: -37.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -410.956353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.956353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.956353 (E_RNA)
where:
Base-Base interactions energy: -273.603
where: short stacking energy: -115.522
Base-Backbone interact. energy: -0.027
local terms energy: -137.325743
where:
bonds (distance) C4'-P energy: -27.263
bonds (distance) P-C4' energy: -28.414
flat angles C4'-P-C4' energy: -29.597
flat angles P-C4'-P energy: -20.622
tors. eta vs tors. theta energy: -31.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -381.301959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.301959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.301959 (E_RNA)
where:
Base-Base interactions energy: -254.389
where: short stacking energy: -123.704
Base-Backbone interact. energy: 1.126
local terms energy: -128.038930
where:
bonds (distance) C4'-P energy: -21.986
bonds (distance) P-C4' energy: -32.541
flat angles C4'-P-C4' energy: -25.311
flat angles P-C4'-P energy: -16.233
tors. eta vs tors. theta energy: -31.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -367.760990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.760990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.760990 (E_RNA)
where:
Base-Base interactions energy: -232.297
where: short stacking energy: -115.312
Base-Backbone interact. energy: -1.970
local terms energy: -133.493459
where:
bonds (distance) C4'-P energy: -26.511
bonds (distance) P-C4' energy: -29.971
flat angles C4'-P-C4' energy: -29.432
flat angles P-C4'-P energy: -18.972
tors. eta vs tors. theta energy: -28.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -296.231271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.231271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.231271 (E_RNA)
where:
Base-Base interactions energy: -183.098
where: short stacking energy: -92.871
Base-Backbone interact. energy: -1.081
local terms energy: -112.051867
where:
bonds (distance) C4'-P energy: -23.146
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -30.145
flat angles P-C4'-P energy: -20.595
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -287.849077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.849077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.849077 (E_RNA)
where:
Base-Base interactions energy: -177.748
where: short stacking energy: -88.711
Base-Backbone interact. energy: 0.043
local terms energy: -110.143956
where:
bonds (distance) C4'-P energy: -24.045
bonds (distance) P-C4' energy: -28.116
flat angles C4'-P-C4' energy: -24.765
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -17.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -208.225227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.225227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.225227 (E_RNA)
where:
Base-Base interactions energy: -111.960
where: short stacking energy: -63.757
Base-Backbone interact. energy: -0.870
local terms energy: -95.395968
where:
bonds (distance) C4'-P energy: -29.275
bonds (distance) P-C4' energy: -20.585
flat angles C4'-P-C4' energy: -20.329
flat angles P-C4'-P energy: -17.722
tors. eta vs tors. theta energy: -7.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -132.100490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.100490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.100490 (E_RNA)
where:
Base-Base interactions energy: -51.989
where: short stacking energy: -44.233
Base-Backbone interact. energy: -0.504
local terms energy: -79.606990
where:
bonds (distance) C4'-P energy: -21.801
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -17.373
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: 6
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -497.606055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.606055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.606055 (E_RNA)
where:
Base-Base interactions energy: -342.663
where: short stacking energy: -150.314
Base-Backbone interact. energy: -0.556
local terms energy: -154.386801
where:
bonds (distance) C4'-P energy: -26.273
bonds (distance) P-C4' energy: -27.699
flat angles C4'-P-C4' energy: -31.391
flat angles P-C4'-P energy: -24.441
tors. eta vs tors. theta energy: -44.583
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: 1
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -488.367536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.367536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.367536 (E_RNA)
where:
Base-Base interactions energy: -334.667
where: short stacking energy: -132.460
Base-Backbone interact. energy: -0.899
local terms energy: -152.801123
where:
bonds (distance) C4'-P energy: -29.968
bonds (distance) P-C4' energy: -30.858
flat angles C4'-P-C4' energy: -32.208
flat angles P-C4'-P energy: -24.317
tors. eta vs tors. theta energy: -35.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -463.559039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.559039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.559039 (E_RNA)
where:
Base-Base interactions energy: -318.536
where: short stacking energy: -142.167
Base-Backbone interact. energy: -0.127
local terms energy: -144.896821
where:
bonds (distance) C4'-P energy: -31.038
bonds (distance) P-C4' energy: -25.085
flat angles C4'-P-C4' energy: -30.325
flat angles P-C4'-P energy: -20.047
tors. eta vs tors. theta energy: -38.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -391.838972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.838972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.838972 (E_RNA)
where:
Base-Base interactions energy: -246.441
where: short stacking energy: -118.851
Base-Backbone interact. energy: -1.010
local terms energy: -144.387954
where:
bonds (distance) C4'-P energy: -29.991
bonds (distance) P-C4' energy: -31.590
flat angles C4'-P-C4' energy: -33.103
flat angles P-C4'-P energy: -21.134
tors. eta vs tors. theta energy: -28.570
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: 2
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -410.854712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.854712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.854712 (E_RNA)
where:
Base-Base interactions energy: -288.159
where: short stacking energy: -123.783
Base-Backbone interact. energy: -0.311
local terms energy: -122.384632
where:
bonds (distance) C4'-P energy: -21.969
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -26.777
flat angles P-C4'-P energy: -16.466
tors. eta vs tors. theta energy: -37.065
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: 4
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -369.405150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.405150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.405150 (E_RNA)
where:
Base-Base interactions energy: -239.463
where: short stacking energy: -116.371
Base-Backbone interact. energy: 0.452
local terms energy: -130.393554
where:
bonds (distance) C4'-P energy: -23.704
bonds (distance) P-C4' energy: -26.291
flat angles C4'-P-C4' energy: -28.923
flat angles P-C4'-P energy: -18.198
tors. eta vs tors. theta energy: -33.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -293.100218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.100218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.100218 (E_RNA)
where:
Base-Base interactions energy: -184.178
where: short stacking energy: -89.553
Base-Backbone interact. energy: 2.841
local terms energy: -111.763218
where:
bonds (distance) C4'-P energy: -24.093
bonds (distance) P-C4' energy: -24.631
flat angles C4'-P-C4' energy: -27.902
flat angles P-C4'-P energy: -19.024
tors. eta vs tors. theta energy: -16.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -300.678828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.678828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.678828 (E_RNA)
where:
Base-Base interactions energy: -186.527
where: short stacking energy: -86.878
Base-Backbone interact. energy: -0.394
local terms energy: -113.757871
where:
bonds (distance) C4'-P energy: -23.189
bonds (distance) P-C4' energy: -24.043
flat angles C4'-P-C4' energy: -21.765
flat angles P-C4'-P energy: -20.660
tors. eta vs tors. theta energy: -24.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -243.529222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.529222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.529222 (E_RNA)
where:
Base-Base interactions energy: -133.092
where: short stacking energy: -81.402
Base-Backbone interact. energy: -0.547
local terms energy: -109.890287
where:
bonds (distance) C4'-P energy: -23.743
bonds (distance) P-C4' energy: -25.177
flat angles C4'-P-C4' energy: -22.190
flat angles P-C4'-P energy: -18.694
tors. eta vs tors. theta energy: -20.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -130.746062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.746062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.746062 (E_RNA)
where:
Base-Base interactions energy: -61.961
where: short stacking energy: -48.517
Base-Backbone interact. energy: -0.281
local terms energy: -68.504090
where:
bonds (distance) C4'-P energy: -21.887
bonds (distance) P-C4' energy: -33.452
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -3.159
tors. eta vs tors. theta energy: 1.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -506.520176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.520176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.520176 (E_RNA)
where:
Base-Base interactions energy: -351.263
where: short stacking energy: -151.677
Base-Backbone interact. energy: -0.202
local terms energy: -155.054371
where:
bonds (distance) C4'-P energy: -29.459
bonds (distance) P-C4' energy: -23.277
flat angles C4'-P-C4' energy: -30.858
flat angles P-C4'-P energy: -24.013
tors. eta vs tors. theta energy: -47.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -474.335540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.335540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.335540 (E_RNA)
where:
Base-Base interactions energy: -336.385
where: short stacking energy: -135.819
Base-Backbone interact. energy: -0.421
local terms energy: -137.529466
where:
bonds (distance) C4'-P energy: -25.838
bonds (distance) P-C4' energy: -28.971
flat angles C4'-P-C4' energy: -24.547
flat angles P-C4'-P energy: -23.260
tors. eta vs tors. theta energy: -34.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -458.686647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.686647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.686647 (E_RNA)
where:
Base-Base interactions energy: -310.650
where: short stacking energy: -128.168
Base-Backbone interact. energy: -1.254
local terms energy: -146.782397
where:
bonds (distance) C4'-P energy: -26.421
bonds (distance) P-C4' energy: -29.498
flat angles C4'-P-C4' energy: -31.615
flat angles P-C4'-P energy: -24.512
tors. eta vs tors. theta energy: -34.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -405.366432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.366432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.366432 (E_RNA)
where:
Base-Base interactions energy: -265.337
where: short stacking energy: -133.379
Base-Backbone interact. energy: -0.721
local terms energy: -139.308342
where:
bonds (distance) C4'-P energy: -28.073
bonds (distance) P-C4' energy: -27.992
flat angles C4'-P-C4' energy: -30.680
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -39.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -396.311722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.311722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.311722 (E_RNA)
where:
Base-Base interactions energy: -271.270
where: short stacking energy: -103.175
Base-Backbone interact. energy: -0.081
local terms energy: -124.960425
where:
bonds (distance) C4'-P energy: -27.195
bonds (distance) P-C4' energy: -24.426
flat angles C4'-P-C4' energy: -29.905
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -31.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -333.334694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.334694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.334694 (E_RNA)
where:
Base-Base interactions energy: -223.227
where: short stacking energy: -91.913
Base-Backbone interact. energy: -0.111
local terms energy: -109.996770
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -23.880
flat angles C4'-P-C4' energy: -24.989
flat angles P-C4'-P energy: -18.926
tors. eta vs tors. theta energy: -25.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -294.997214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.997214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.997214 (E_RNA)
where:
Base-Base interactions energy: -173.962
where: short stacking energy: -98.030
Base-Backbone interact. energy: -0.114
local terms energy: -120.921402
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -32.836
flat angles C4'-P-C4' energy: -22.484
flat angles P-C4'-P energy: -22.853
tors. eta vs tors. theta energy: -22.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -316.816512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.816512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.816512 (E_RNA)
where:
Base-Base interactions energy: -198.798
where: short stacking energy: -91.562
Base-Backbone interact. energy: 2.211
local terms energy: -120.229121
where:
bonds (distance) C4'-P energy: -26.193
bonds (distance) P-C4' energy: -24.975
flat angles C4'-P-C4' energy: -27.428
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -26.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -190.473596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.473596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.473596 (E_RNA)
where:
Base-Base interactions energy: -101.230
where: short stacking energy: -59.551
Base-Backbone interact. energy: -0.853
local terms energy: -88.389981
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -24.252
flat angles C4'-P-C4' energy: -25.541
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: -8.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -131.382864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.382864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.382864 (E_RNA)
where:
Base-Base interactions energy: -36.316
where: short stacking energy: -36.263
Base-Backbone interact. energy: -0.181
local terms energy: -94.886081
where:
bonds (distance) C4'-P energy: -28.756
bonds (distance) P-C4' energy: -28.043
flat angles C4'-P-C4' energy: -21.365
flat angles P-C4'-P energy: -18.529
tors. eta vs tors. theta energy: 1.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -510.723439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.723439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.723439 (E_RNA)
where:
Base-Base interactions energy: -358.903
where: short stacking energy: -143.790
Base-Backbone interact. energy: 0.240
local terms energy: -152.060051
where:
bonds (distance) C4'-P energy: -26.330
bonds (distance) P-C4' energy: -32.300
flat angles C4'-P-C4' energy: -31.487
flat angles P-C4'-P energy: -18.978
tors. eta vs tors. theta energy: -42.965
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: 5
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -474.261821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.261821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.261821 (E_RNA)
where:
Base-Base interactions energy: -324.205
where: short stacking energy: -134.862
Base-Backbone interact. energy: -0.746
local terms energy: -149.310461
where:
bonds (distance) C4'-P energy: -31.427
bonds (distance) P-C4' energy: -28.348
flat angles C4'-P-C4' energy: -30.837
flat angles P-C4'-P energy: -24.351
tors. eta vs tors. theta energy: -34.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -461.926490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.926490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.926490 (E_RNA)
where:
Base-Base interactions energy: -327.452
where: short stacking energy: -127.913
Base-Backbone interact. energy: -0.657
local terms energy: -133.817078
where:
bonds (distance) C4'-P energy: -25.500
bonds (distance) P-C4' energy: -30.145
flat angles C4'-P-C4' energy: -26.064
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -37.466
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: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -418.636016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.636016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.636016 (E_RNA)
where:
Base-Base interactions energy: -281.708
where: short stacking energy: -120.642
Base-Backbone interact. energy: -0.477
local terms energy: -136.451504
where:
bonds (distance) C4'-P energy: -22.392
bonds (distance) P-C4' energy: -28.391
flat angles C4'-P-C4' energy: -33.144
flat angles P-C4'-P energy: -18.699
tors. eta vs tors. theta energy: -33.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -391.368093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.368093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.368093 (E_RNA)
where:
Base-Base interactions energy: -252.339
where: short stacking energy: -120.537
Base-Backbone interact. energy: -0.482
local terms energy: -138.547800
where:
bonds (distance) C4'-P energy: -29.808
bonds (distance) P-C4' energy: -25.795
flat angles C4'-P-C4' energy: -27.411
flat angles P-C4'-P energy: -22.165
tors. eta vs tors. theta energy: -33.369
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: 61
Temperature: 1.150000
Total energy: -318.470984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.470984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.470984 (E_RNA)
where:
Base-Base interactions energy: -199.602
where: short stacking energy: -91.889
Base-Backbone interact. energy: -0.446
local terms energy: -118.422687
where:
bonds (distance) C4'-P energy: -24.647
bonds (distance) P-C4' energy: -18.081
flat angles C4'-P-C4' energy: -29.358
flat angles P-C4'-P energy: -21.905
tors. eta vs tors. theta energy: -24.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -293.298149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.298149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.298149 (E_RNA)
where:
Base-Base interactions energy: -178.338
where: short stacking energy: -72.899
Base-Backbone interact. energy: -0.133
local terms energy: -114.826551
where:
bonds (distance) C4'-P energy: -22.038
bonds (distance) P-C4' energy: -29.880
flat angles C4'-P-C4' energy: -27.848
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -22.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -305.987426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.987426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.987426 (E_RNA)
where:
Base-Base interactions energy: -191.679
where: short stacking energy: -76.051
Base-Backbone interact. energy: -0.832
local terms energy: -113.476328
where:
bonds (distance) C4'-P energy: -26.281
bonds (distance) P-C4' energy: -31.622
flat angles C4'-P-C4' energy: -22.397
flat angles P-C4'-P energy: -18.239
tors. eta vs tors. theta energy: -14.938
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: 7
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -203.968007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.968007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.968007 (E_RNA)
where:
Base-Base interactions energy: -107.926
where: short stacking energy: -64.888
Base-Backbone interact. energy: -0.775
local terms energy: -95.266898
where:
bonds (distance) C4'-P energy: -24.776
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -25.786
flat angles P-C4'-P energy: -16.977
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: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -143.487536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.487536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.487536 (E_RNA)
where:
Base-Base interactions energy: -67.371
where: short stacking energy: -31.645
Base-Backbone interact. energy: -1.049
local terms energy: -75.067962
where:
bonds (distance) C4'-P energy: -23.300
bonds (distance) P-C4' energy: -26.060
flat angles C4'-P-C4' energy: -20.228
flat angles P-C4'-P energy: -8.439
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: 1, replica: 5
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -486.376956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.376956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.376956 (E_RNA)
where:
Base-Base interactions energy: -345.707
where: short stacking energy: -140.385
Base-Backbone interact. energy: -0.731
local terms energy: -139.939114
where:
bonds (distance) C4'-P energy: -26.147
bonds (distance) P-C4' energy: -24.877
flat angles C4'-P-C4' energy: -32.505
flat angles P-C4'-P energy: -20.942
tors. eta vs tors. theta energy: -35.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -494.248307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.248307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.248307 (E_RNA)
where:
Base-Base interactions energy: -350.150
where: short stacking energy: -150.547
Base-Backbone interact. energy: -0.093
local terms energy: -144.005587
where:
bonds (distance) C4'-P energy: -21.718
bonds (distance) P-C4' energy: -28.641
flat angles C4'-P-C4' energy: -28.196
flat angles P-C4'-P energy: -22.912
tors. eta vs tors. theta energy: -42.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -455.183724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.183724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.183724 (E_RNA)
where:
Base-Base interactions energy: -310.306
where: short stacking energy: -129.678
Base-Backbone interact. energy: -0.366
local terms energy: -144.511638
where:
bonds (distance) C4'-P energy: -23.692
bonds (distance) P-C4' energy: -30.426
flat angles C4'-P-C4' energy: -31.437
flat angles P-C4'-P energy: -22.024
tors. eta vs tors. theta energy: -36.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -410.619260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.619260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.619260 (E_RNA)
where:
Base-Base interactions energy: -277.927
where: short stacking energy: -119.292
Base-Backbone interact. energy: -0.263
local terms energy: -132.429247
where:
bonds (distance) C4'-P energy: -27.945
bonds (distance) P-C4' energy: -20.638
flat angles C4'-P-C4' energy: -28.033
flat angles P-C4'-P energy: -23.041
tors. eta vs tors. theta energy: -32.773
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: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -397.635527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.635527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.635527 (E_RNA)
where:
Base-Base interactions energy: -265.543
where: short stacking energy: -125.966
Base-Backbone interact. energy: -0.513
local terms energy: -131.579548
where:
bonds (distance) C4'-P energy: -23.181
bonds (distance) P-C4' energy: -29.367
flat angles C4'-P-C4' energy: -28.560
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -34.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -313.485766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.485766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.485766 (E_RNA)
where:
Base-Base interactions energy: -203.508
where: short stacking energy: -100.595
Base-Backbone interact. energy: -0.268
local terms energy: -109.709748
where:
bonds (distance) C4'-P energy: -30.446
bonds (distance) P-C4' energy: -22.970
flat angles C4'-P-C4' energy: -24.913
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -17.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -307.179093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.179093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.179093 (E_RNA)
where:
Base-Base interactions energy: -191.124
where: short stacking energy: -98.598
Base-Backbone interact. energy: 0.982
local terms energy: -117.037022
where:
bonds (distance) C4'-P energy: -22.805
bonds (distance) P-C4' energy: -24.955
flat angles C4'-P-C4' energy: -26.946
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: -26.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -304.004828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.004828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.004828 (E_RNA)
where:
Base-Base interactions energy: -193.893
where: short stacking energy: -83.774
Base-Backbone interact. energy: -0.101
local terms energy: -110.010825
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -25.101
flat angles C4'-P-C4' energy: -33.552
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: -11.997
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: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -188.695800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.695800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.695800 (E_RNA)
where:
Base-Base interactions energy: -95.290
where: short stacking energy: -64.224
Base-Backbone interact. energy: -0.792
local terms energy: -92.613208
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -22.379
flat angles C4'-P-C4' energy: -24.568
flat angles P-C4'-P energy: -13.550
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: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -131.740799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.740799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.740799 (E_RNA)
where:
Base-Base interactions energy: -55.222
where: short stacking energy: -44.392
Base-Backbone interact. energy: 1.746
local terms energy: -78.264640
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -25.662
flat angles C4'-P-C4' energy: -20.154
flat angles P-C4'-P energy: -13.917
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: 1, replica: 5
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -495.996556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.996556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.996556 (E_RNA)
where:
Base-Base interactions energy: -352.230
where: short stacking energy: -152.151
Base-Backbone interact. energy: -0.021
local terms energy: -143.745735
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -31.760
flat angles C4'-P-C4' energy: -34.558
flat angles P-C4'-P energy: -20.640
tors. eta vs tors. theta energy: -35.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -499.006133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.006133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.006133 (E_RNA)
where:
Base-Base interactions energy: -346.773
where: short stacking energy: -144.051
Base-Backbone interact. energy: -0.020
local terms energy: -152.213539
where:
bonds (distance) C4'-P energy: -31.650
bonds (distance) P-C4' energy: -27.314
flat angles C4'-P-C4' energy: -29.885
flat angles P-C4'-P energy: -24.481
tors. eta vs tors. theta energy: -38.883
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: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -466.581663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.581663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.581663 (E_RNA)
where:
Base-Base interactions energy: -326.606
where: short stacking energy: -137.203
Base-Backbone interact. energy: -0.284
local terms energy: -139.691932
where:
bonds (distance) C4'-P energy: -28.554
bonds (distance) P-C4' energy: -22.202
flat angles C4'-P-C4' energy: -33.936
flat angles P-C4'-P energy: -16.187
tors. eta vs tors. theta energy: -38.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -426.119199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.119199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.119199 (E_RNA)
where:
Base-Base interactions energy: -290.603
where: short stacking energy: -121.419
Base-Backbone interact. energy: -1.187
local terms energy: -134.329221
where:
bonds (distance) C4'-P energy: -24.435
bonds (distance) P-C4' energy: -24.794
flat angles C4'-P-C4' energy: -31.399
flat angles P-C4'-P energy: -19.817
tors. eta vs tors. theta energy: -33.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -382.383553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.383553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.383553 (E_RNA)
where:
Base-Base interactions energy: -249.171
where: short stacking energy: -113.591
Base-Backbone interact. energy: -0.219
local terms energy: -132.993446
where:
bonds (distance) C4'-P energy: -29.380
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -27.979
flat angles P-C4'-P energy: -21.947
tors. eta vs tors. theta energy: -30.602
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: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -301.153004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.153004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.153004 (E_RNA)
where:
Base-Base interactions energy: -187.803
where: short stacking energy: -86.119
Base-Backbone interact. energy: -1.285
local terms energy: -112.065397
where:
bonds (distance) C4'-P energy: -25.026
bonds (distance) P-C4' energy: -22.956
flat angles C4'-P-C4' energy: -30.925
flat angles P-C4'-P energy: -19.220
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: 4
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -315.231450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.231450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.231450 (E_RNA)
where:
Base-Base interactions energy: -206.516
where: short stacking energy: -96.154
Base-Backbone interact. energy: -0.507
local terms energy: -108.207941
where:
bonds (distance) C4'-P energy: -31.094
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -25.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -328.155296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.155296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.155296 (E_RNA)
where:
Base-Base interactions energy: -223.518
where: short stacking energy: -93.583
Base-Backbone interact. energy: 0.546
local terms energy: -105.183061
where:
bonds (distance) C4'-P energy: -22.915
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -25.812
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -21.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -144.221691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.221691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.221691 (E_RNA)
where:
Base-Base interactions energy: -51.963
where: short stacking energy: -30.760
Base-Backbone interact. energy: -0.724
local terms energy: -91.534862
where:
bonds (distance) C4'-P energy: -21.996
bonds (distance) P-C4' energy: -27.268
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -17.008
tors. eta vs tors. theta energy: -10.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -127.689060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.689060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.689060 (E_RNA)
where:
Base-Base interactions energy: -43.319
where: short stacking energy: -40.584
Base-Backbone interact. energy: -0.633
local terms energy: -83.736361
where:
bonds (distance) C4'-P energy: -30.854
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -27.439
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -0.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -500.248268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.248268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.248268 (E_RNA)
where:
Base-Base interactions energy: -345.333
where: short stacking energy: -152.057
Base-Backbone interact. energy: -0.039
local terms energy: -154.876494
where:
bonds (distance) C4'-P energy: -30.480
bonds (distance) P-C4' energy: -29.015
flat angles C4'-P-C4' energy: -28.487
flat angles P-C4'-P energy: -19.009
tors. eta vs tors. theta energy: -47.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -487.862219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.862219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.862219 (E_RNA)
where:
Base-Base interactions energy: -333.330
where: short stacking energy: -138.323
Base-Backbone interact. energy: -0.148
local terms energy: -154.383811
where:
bonds (distance) C4'-P energy: -31.286
bonds (distance) P-C4' energy: -30.280
flat angles C4'-P-C4' energy: -27.943
flat angles P-C4'-P energy: -21.608
tors. eta vs tors. theta energy: -43.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -473.271967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.271967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.271967 (E_RNA)
where:
Base-Base interactions energy: -323.814
where: short stacking energy: -132.271
Base-Backbone interact. energy: -0.396
local terms energy: -149.061788
where:
bonds (distance) C4'-P energy: -30.792
bonds (distance) P-C4' energy: -27.089
flat angles C4'-P-C4' energy: -35.240
flat angles P-C4'-P energy: -15.892
tors. eta vs tors. theta energy: -40.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -437.370942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.370942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.370942 (E_RNA)
where:
Base-Base interactions energy: -313.420
where: short stacking energy: -130.278
Base-Backbone interact. energy: -0.553
local terms energy: -123.398417
where:
bonds (distance) C4'-P energy: -20.094
bonds (distance) P-C4' energy: -27.859
flat angles C4'-P-C4' energy: -25.967
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -31.059
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: 8
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -393.147352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.147352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.147352 (E_RNA)
where:
Base-Base interactions energy: -258.981
where: short stacking energy: -124.581
Base-Backbone interact. energy: -0.844
local terms energy: -133.322831
where:
bonds (distance) C4'-P energy: -25.274
bonds (distance) P-C4' energy: -28.452
flat angles C4'-P-C4' energy: -30.537
flat angles P-C4'-P energy: -19.232
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: 6, replica: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -314.242909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.242909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.242909 (E_RNA)
where:
Base-Base interactions energy: -184.870
where: short stacking energy: -103.009
Base-Backbone interact. energy: -0.092
local terms energy: -129.280640
where:
bonds (distance) C4'-P energy: -28.662
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -29.401
flat angles P-C4'-P energy: -16.970
tors. eta vs tors. theta energy: -32.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -413.796449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.796449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.796449 (E_RNA)
where:
Base-Base interactions energy: -287.809
where: short stacking energy: -121.703
Base-Backbone interact. energy: -0.924
local terms energy: -125.063263
where:
bonds (distance) C4'-P energy: -21.801
bonds (distance) P-C4' energy: -22.660
flat angles C4'-P-C4' energy: -29.189
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -36.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -322.190178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.190178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.190178 (E_RNA)
where:
Base-Base interactions energy: -201.148
where: short stacking energy: -79.379
Base-Backbone interact. energy: -0.507
local terms energy: -120.535178
where:
bonds (distance) C4'-P energy: -24.626
bonds (distance) P-C4' energy: -29.602
flat angles C4'-P-C4' energy: -28.388
flat angles P-C4'-P energy: -19.559
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -150.946547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.946547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.946547 (E_RNA)
where:
Base-Base interactions energy: -57.075
where: short stacking energy: -56.144
Base-Backbone interact. energy: -0.133
local terms energy: -93.737807
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -30.453
flat angles C4'-P-C4' energy: -24.364
flat angles P-C4'-P energy: -16.920
tors. eta vs tors. theta energy: -2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -129.087440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.087440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.087440 (E_RNA)
where:
Base-Base interactions energy: -35.914
where: short stacking energy: -36.540
Base-Backbone interact. energy: -0.315
local terms energy: -92.858862
where:
bonds (distance) C4'-P energy: -23.577
bonds (distance) P-C4' energy: -25.696
flat angles C4'-P-C4' energy: -24.004
flat angles P-C4'-P energy: -17.589
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: 6
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -500.618564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.618564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.618564 (E_RNA)
where:
Base-Base interactions energy: -346.548
where: short stacking energy: -151.101
Base-Backbone interact. energy: -0.064
local terms energy: -154.006590
where:
bonds (distance) C4'-P energy: -28.307
bonds (distance) P-C4' energy: -29.225
flat angles C4'-P-C4' energy: -31.574
flat angles P-C4'-P energy: -25.578
tors. eta vs tors. theta energy: -39.324
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: 1
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -472.732505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.732505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.732505 (E_RNA)
where:
Base-Base interactions energy: -324.184
where: short stacking energy: -132.028
Base-Backbone interact. energy: -1.768
local terms energy: -146.780578
where:
bonds (distance) C4'-P energy: -28.287
bonds (distance) P-C4' energy: -30.360
flat angles C4'-P-C4' energy: -33.581
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: -38.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -472.957526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.957526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.957526 (E_RNA)
where:
Base-Base interactions energy: -338.246
where: short stacking energy: -146.284
Base-Backbone interact. energy: -0.734
local terms energy: -133.977373
where:
bonds (distance) C4'-P energy: -26.855
bonds (distance) P-C4' energy: -24.687
flat angles C4'-P-C4' energy: -28.520
flat angles P-C4'-P energy: -15.922
tors. eta vs tors. theta energy: -37.994
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: 4, replica: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -437.988936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.988936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.988936 (E_RNA)
where:
Base-Base interactions energy: -308.566
where: short stacking energy: -117.509
Base-Backbone interact. energy: -0.156
local terms energy: -129.267381
where:
bonds (distance) C4'-P energy: -27.978
bonds (distance) P-C4' energy: -30.438
flat angles C4'-P-C4' energy: -27.355
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -29.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -400.365826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.365826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.365826 (E_RNA)
where:
Base-Base interactions energy: -269.613
where: short stacking energy: -136.411
Base-Backbone interact. energy: 0.412
local terms energy: -131.164589
where:
bonds (distance) C4'-P energy: -24.162
bonds (distance) P-C4' energy: -22.054
flat angles C4'-P-C4' energy: -27.779
flat angles P-C4'-P energy: -16.960
tors. eta vs tors. theta energy: -40.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -416.612482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.612482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.612482 (E_RNA)
where:
Base-Base interactions energy: -298.641
where: short stacking energy: -121.507
Base-Backbone interact. energy: 0.680
local terms energy: -118.651723
where:
bonds (distance) C4'-P energy: -23.325
bonds (distance) P-C4' energy: -25.221
flat angles C4'-P-C4' energy: -23.070
flat angles P-C4'-P energy: -18.975
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: 7, replica: 3
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -326.194908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.194908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.194908 (E_RNA)
where:
Base-Base interactions energy: -229.885
where: short stacking energy: -101.059
Base-Backbone interact. energy: -1.108
local terms energy: -95.202045
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -21.146
flat angles C4'-P-C4' energy: -23.266
flat angles P-C4'-P energy: -12.700
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: 8, replica: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -316.216517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.216517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.216517 (E_RNA)
where:
Base-Base interactions energy: -199.497
where: short stacking energy: -94.683
Base-Backbone interact. energy: -0.470
local terms energy: -116.249473
where:
bonds (distance) C4'-P energy: -28.181
bonds (distance) P-C4' energy: -24.431
flat angles C4'-P-C4' energy: -27.439
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -23.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -148.798394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.798394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.798394 (E_RNA)
where:
Base-Base interactions energy: -57.846
where: short stacking energy: -40.572
Base-Backbone interact. energy: -1.297
local terms energy: -89.655781
where:
bonds (distance) C4'-P energy: -25.280
bonds (distance) P-C4' energy: -27.931
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -18.926
tors. eta vs tors. theta energy: 0.221
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: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -136.186642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.186642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.186642 (E_RNA)
where:
Base-Base interactions energy: -59.276
where: short stacking energy: -30.685
Base-Backbone interact. energy: -0.664
local terms energy: -76.246850
where:
bonds (distance) C4'-P energy: -27.528
bonds (distance) P-C4' energy: -29.872
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: 3.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -503.084394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.084394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.084394 (E_RNA)
where:
Base-Base interactions energy: -344.317
where: short stacking energy: -138.975
Base-Backbone interact. energy: -0.077
local terms energy: -158.690036
where:
bonds (distance) C4'-P energy: -29.024
bonds (distance) P-C4' energy: -28.673
flat angles C4'-P-C4' energy: -34.647
flat angles P-C4'-P energy: -23.376
tors. eta vs tors. theta energy: -42.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -477.790578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.790578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.790578 (E_RNA)
where:
Base-Base interactions energy: -329.175
where: short stacking energy: -142.024
Base-Backbone interact. energy: -0.914
local terms energy: -147.701164
where:
bonds (distance) C4'-P energy: -27.178
bonds (distance) P-C4' energy: -28.790
flat angles C4'-P-C4' energy: -30.263
flat angles P-C4'-P energy: -19.878
tors. eta vs tors. theta energy: -41.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -475.837843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.837843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.837843 (E_RNA)
where:
Base-Base interactions energy: -340.496
where: short stacking energy: -129.073
Base-Backbone interact. energy: -0.779
local terms energy: -134.562445
where:
bonds (distance) C4'-P energy: -24.464
bonds (distance) P-C4' energy: -26.965
flat angles C4'-P-C4' energy: -29.044
flat angles P-C4'-P energy: -21.360
tors. eta vs tors. theta energy: -32.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -426.194612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.194612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.194612 (E_RNA)
where:
Base-Base interactions energy: -290.025
where: short stacking energy: -106.886
Base-Backbone interact. energy: -0.416
local terms energy: -135.753929
where:
bonds (distance) C4'-P energy: -29.087
bonds (distance) P-C4' energy: -31.721
flat angles C4'-P-C4' energy: -28.381
flat angles P-C4'-P energy: -15.441
tors. eta vs tors. theta energy: -31.124
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: 10
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -433.858630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.858630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.858630 (E_RNA)
where:
Base-Base interactions energy: -300.944
where: short stacking energy: -131.148
Base-Backbone interact. energy: -0.385
local terms energy: -132.528825
where:
bonds (distance) C4'-P energy: -25.159
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -28.208
flat angles P-C4'-P energy: -20.003
tors. eta vs tors. theta energy: -39.304
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: 8
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -371.038819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.038819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.038819 (E_RNA)
where:
Base-Base interactions energy: -245.215
where: short stacking energy: -107.167
Base-Backbone interact. energy: -0.071
local terms energy: -125.751974
where:
bonds (distance) C4'-P energy: -19.570
bonds (distance) P-C4' energy: -26.252
flat angles C4'-P-C4' energy: -30.821
flat angles P-C4'-P energy: -22.417
tors. eta vs tors. theta energy: -26.692
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: 7, replica: 3
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -382.338094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.338094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.338094 (E_RNA)
where:
Base-Base interactions energy: -253.352
where: short stacking energy: -116.559
Base-Backbone interact. energy: -0.278
local terms energy: -128.708645
where:
bonds (distance) C4'-P energy: -29.824
bonds (distance) P-C4' energy: -23.460
flat angles C4'-P-C4' energy: -24.991
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -39.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -274.124934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.124934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.124934 (E_RNA)
where:
Base-Base interactions energy: -167.565
where: short stacking energy: -72.344
Base-Backbone interact. energy: -0.472
local terms energy: -106.087821
where:
bonds (distance) C4'-P energy: -25.656
bonds (distance) P-C4' energy: -24.478
flat angles C4'-P-C4' energy: -27.630
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -15.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -148.524739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.524739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.524739 (E_RNA)
where:
Base-Base interactions energy: -57.523
where: short stacking energy: -57.523
Base-Backbone interact. energy: 1.043
local terms energy: -92.045151
where:
bonds (distance) C4'-P energy: -26.623
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -24.778
flat angles P-C4'-P energy: -17.965
tors. eta vs tors. theta energy: -0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -138.540867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.540867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.540867 (E_RNA)
where:
Base-Base interactions energy: -57.454
where: short stacking energy: -48.283
Base-Backbone interact. energy: -0.342
local terms energy: -80.745421
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -26.261
flat angles C4'-P-C4' energy: -27.581
flat angles P-C4'-P energy: -17.273
tors. eta vs tors. theta energy: 3.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -494.153007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.153007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.153007 (E_RNA)
where:
Base-Base interactions energy: -337.436
where: short stacking energy: -151.912
Base-Backbone interact. energy: -0.379
local terms energy: -156.337747
where:
bonds (distance) C4'-P energy: -31.998
bonds (distance) P-C4' energy: -26.515
flat angles C4'-P-C4' energy: -31.168
flat angles P-C4'-P energy: -19.788
tors. eta vs tors. theta energy: -46.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -481.538678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.538678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.538678 (E_RNA)
where:
Base-Base interactions energy: -337.484
where: short stacking energy: -144.167
Base-Backbone interact. energy: -0.319
local terms energy: -143.735232
where:
bonds (distance) C4'-P energy: -23.594
bonds (distance) P-C4' energy: -26.423
flat angles C4'-P-C4' energy: -31.716
flat angles P-C4'-P energy: -23.992
tors. eta vs tors. theta energy: -38.011
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: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -461.180598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.180598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.180598 (E_RNA)
where:
Base-Base interactions energy: -319.533
where: short stacking energy: -131.223
Base-Backbone interact. energy: -0.380
local terms energy: -141.268168
where:
bonds (distance) C4'-P energy: -29.019
bonds (distance) P-C4' energy: -32.087
flat angles C4'-P-C4' energy: -26.009
flat angles P-C4'-P energy: -19.849
tors. eta vs tors. theta energy: -34.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -458.460640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.460640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.460640 (E_RNA)
where:
Base-Base interactions energy: -317.567
where: short stacking energy: -129.040
Base-Backbone interact. energy: -1.226
local terms energy: -139.667021
where:
bonds (distance) C4'-P energy: -26.181
bonds (distance) P-C4' energy: -24.742
flat angles C4'-P-C4' energy: -30.914
flat angles P-C4'-P energy: -20.486
tors. eta vs tors. theta energy: -37.344
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: 5, replica: 2
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -414.920602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.920602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.920602 (E_RNA)
where:
Base-Base interactions energy: -285.802
where: short stacking energy: -109.997
Base-Backbone interact. energy: -0.240
local terms energy: -128.878067
where:
bonds (distance) C4'-P energy: -26.938
bonds (distance) P-C4' energy: -30.159
flat angles C4'-P-C4' energy: -27.601
flat angles P-C4'-P energy: -14.901
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: 6, replica: 8
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -366.603951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.603951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.603951 (E_RNA)
where:
Base-Base interactions energy: -248.209
where: short stacking energy: -121.025
Base-Backbone interact. energy: -0.512
local terms energy: -117.882454
where:
bonds (distance) C4'-P energy: -18.743
bonds (distance) P-C4' energy: -23.327
flat angles C4'-P-C4' energy: -22.567
flat angles P-C4'-P energy: -23.632
tors. eta vs tors. theta energy: -29.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -407.096126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.096126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.096126 (E_RNA)
where:
Base-Base interactions energy: -285.738
where: short stacking energy: -116.838
Base-Backbone interact. energy: -0.116
local terms energy: -121.242681
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -24.666
flat angles C4'-P-C4' energy: -27.476
flat angles P-C4'-P energy: -18.561
tors. eta vs tors. theta energy: -34.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -265.767479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.767479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.767479 (E_RNA)
where:
Base-Base interactions energy: -156.044
where: short stacking energy: -71.771
Base-Backbone interact. energy: 0.333
local terms energy: -110.056110
where:
bonds (distance) C4'-P energy: -25.957
bonds (distance) P-C4' energy: -25.021
flat angles C4'-P-C4' energy: -23.943
flat angles P-C4'-P energy: -18.360
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -136.182875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.182875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.182875 (E_RNA)
where:
Base-Base interactions energy: -47.064
where: short stacking energy: -32.857
Base-Backbone interact. energy: -0.711
local terms energy: -88.407952
where:
bonds (distance) C4'-P energy: -27.380
bonds (distance) P-C4' energy: -27.765
flat angles C4'-P-C4' energy: -23.095
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: 1.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -127.572769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.572769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.572769 (E_RNA)
where:
Base-Base interactions energy: -44.756
where: short stacking energy: -44.326
Base-Backbone interact. energy: -0.368
local terms energy: -82.449300
where:
bonds (distance) C4'-P energy: -24.485
bonds (distance) P-C4' energy: -28.167
flat angles C4'-P-C4' energy: -23.028
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: 4.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -501.162977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.162977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.162977 (E_RNA)
where:
Base-Base interactions energy: -350.693
where: short stacking energy: -147.274
Base-Backbone interact. energy: -0.169
local terms energy: -150.301702
where:
bonds (distance) C4'-P energy: -29.750
bonds (distance) P-C4' energy: -31.006
flat angles C4'-P-C4' energy: -29.455
flat angles P-C4'-P energy: -17.553
tors. eta vs tors. theta energy: -42.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -486.813021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.813021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.813021 (E_RNA)
where:
Base-Base interactions energy: -336.650
where: short stacking energy: -146.907
Base-Backbone interact. energy: -0.288
local terms energy: -149.875071
where:
bonds (distance) C4'-P energy: -29.301
bonds (distance) P-C4' energy: -31.088
flat angles C4'-P-C4' energy: -34.312
flat angles P-C4'-P energy: -17.772
tors. eta vs tors. theta energy: -37.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -473.915726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.915726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.915726 (E_RNA)
where:
Base-Base interactions energy: -332.187
where: short stacking energy: -152.809
Base-Backbone interact. energy: 0.521
local terms energy: -142.249826
where:
bonds (distance) C4'-P energy: -27.444
bonds (distance) P-C4' energy: -26.934
flat angles C4'-P-C4' energy: -31.199
flat angles P-C4'-P energy: -18.056
tors. eta vs tors. theta energy: -38.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -462.057725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.057725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.057725 (E_RNA)
where:
Base-Base interactions energy: -325.076
where: short stacking energy: -137.726
Base-Backbone interact. energy: -1.458
local terms energy: -135.523729
where:
bonds (distance) C4'-P energy: -27.795
bonds (distance) P-C4' energy: -25.942
flat angles C4'-P-C4' energy: -30.953
flat angles P-C4'-P energy: -15.269
tors. eta vs tors. theta energy: -35.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -392.467826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.467826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.467826 (E_RNA)
where:
Base-Base interactions energy: -270.013
where: short stacking energy: -119.270
Base-Backbone interact. energy: -0.823
local terms energy: -121.632607
where:
bonds (distance) C4'-P energy: -24.431
bonds (distance) P-C4' energy: -23.046
flat angles C4'-P-C4' energy: -30.303
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -30.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -369.584880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.584880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.584880 (E_RNA)
where:
Base-Base interactions energy: -239.371
where: short stacking energy: -108.100
Base-Backbone interact. energy: -0.079
local terms energy: -130.135534
where:
bonds (distance) C4'-P energy: -28.006
bonds (distance) P-C4' energy: -26.698
flat angles C4'-P-C4' energy: -28.078
flat angles P-C4'-P energy: -16.995
tors. eta vs tors. theta energy: -30.359
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: 7, replica: 3
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -427.270462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.270462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.270462 (E_RNA)
where:
Base-Base interactions energy: -281.248
where: short stacking energy: -128.718
Base-Backbone interact. energy: -0.289
local terms energy: -145.732850
where:
bonds (distance) C4'-P energy: -24.926
bonds (distance) P-C4' energy: -27.617
flat angles C4'-P-C4' energy: -33.407
flat angles P-C4'-P energy: -19.357
tors. eta vs tors. theta energy: -40.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -241.913645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.913645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.913645 (E_RNA)
where:
Base-Base interactions energy: -133.042
where: short stacking energy: -78.474
Base-Backbone interact. energy: -0.182
local terms energy: -108.689393
where:
bonds (distance) C4'-P energy: -28.834
bonds (distance) P-C4' energy: -24.297
flat angles C4'-P-C4' energy: -22.120
flat angles P-C4'-P energy: -19.841
tors. eta vs tors. theta energy: -13.598
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: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -151.152585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.152585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.152585 (E_RNA)
where:
Base-Base interactions energy: -59.653
where: short stacking energy: -57.249
Base-Backbone interact. energy: -0.327
local terms energy: -91.172449
where:
bonds (distance) C4'-P energy: -29.344
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -26.366
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: -6.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -133.930085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.930085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.930085 (E_RNA)
where:
Base-Base interactions energy: -48.586
where: short stacking energy: -48.586
Base-Backbone interact. energy: 0.332
local terms energy: -85.676139
where:
bonds (distance) C4'-P energy: -23.122
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -28.534
flat angles P-C4'-P energy: -18.638
tors. eta vs tors. theta energy: -3.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -503.491488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.491488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.491488 (E_RNA)
where:
Base-Base interactions energy: -346.499
where: short stacking energy: -151.969
Base-Backbone interact. energy: -0.070
local terms energy: -156.923135
where:
bonds (distance) C4'-P energy: -27.957
bonds (distance) P-C4' energy: -31.231
flat angles C4'-P-C4' energy: -31.039
flat angles P-C4'-P energy: -20.339
tors. eta vs tors. theta energy: -46.357
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: 10
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -473.679111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.679111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.679111 (E_RNA)
where:
Base-Base interactions energy: -347.561
where: short stacking energy: -129.943
Base-Backbone interact. energy: -0.304
local terms energy: -125.813985
where:
bonds (distance) C4'-P energy: -22.093
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -33.168
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -33.206
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: 5
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -453.335440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.335440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.335440 (E_RNA)
where:
Base-Base interactions energy: -307.483
where: short stacking energy: -132.548
Base-Backbone interact. energy: -0.099
local terms energy: -145.753329
where:
bonds (distance) C4'-P energy: -27.047
bonds (distance) P-C4' energy: -28.874
flat angles C4'-P-C4' energy: -29.548
flat angles P-C4'-P energy: -20.143
tors. eta vs tors. theta energy: -40.141
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: 1
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -455.904908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.904908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.904908 (E_RNA)
where:
Base-Base interactions energy: -309.031
where: short stacking energy: -124.334
Base-Backbone interact. energy: 1.237
local terms energy: -148.110723
where:
bonds (distance) C4'-P energy: -25.622
bonds (distance) P-C4' energy: -32.293
flat angles C4'-P-C4' energy: -28.117
flat angles P-C4'-P energy: -23.181
tors. eta vs tors. theta energy: -38.898
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: 5, replica: 2
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -396.669078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.669078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.669078 (E_RNA)
where:
Base-Base interactions energy: -264.197
where: short stacking energy: -108.722
Base-Backbone interact. energy: -0.431
local terms energy: -132.040777
where:
bonds (distance) C4'-P energy: -30.461
bonds (distance) P-C4' energy: -27.189
flat angles C4'-P-C4' energy: -27.842
flat angles P-C4'-P energy: -21.884
tors. eta vs tors. theta energy: -24.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -448.088240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.088240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.088240 (E_RNA)
where:
Base-Base interactions energy: -306.220
where: short stacking energy: -135.837
Base-Backbone interact. energy: -0.001
local terms energy: -141.867260
where:
bonds (distance) C4'-P energy: -22.620
bonds (distance) P-C4' energy: -23.273
flat angles C4'-P-C4' energy: -34.252
flat angles P-C4'-P energy: -21.489
tors. eta vs tors. theta energy: -40.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -349.190514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.190514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.190514 (E_RNA)
where:
Base-Base interactions energy: -235.060
where: short stacking energy: -115.265
Base-Backbone interact. energy: -0.079
local terms energy: -114.051467
where:
bonds (distance) C4'-P energy: -20.652
bonds (distance) P-C4' energy: -21.993
flat angles C4'-P-C4' energy: -25.931
flat angles P-C4'-P energy: -14.290
tors. eta vs tors. theta energy: -31.185
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: 4
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -238.168280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.168280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.168280 (E_RNA)
where:
Base-Base interactions energy: -139.784
where: short stacking energy: -78.890
Base-Backbone interact. energy: -0.079
local terms energy: -98.305345
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -24.890
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -17.798
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: 7
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -154.153161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.153161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.153161 (E_RNA)
where:
Base-Base interactions energy: -62.415
where: short stacking energy: -62.769
Base-Backbone interact. energy: 1.085
local terms energy: -92.823045
where:
bonds (distance) C4'-P energy: -23.652
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -21.664
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -9.536
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: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -148.070132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.070132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.070132 (E_RNA)
where:
Base-Base interactions energy: -53.347
where: short stacking energy: -53.323
Base-Backbone interact. energy: -0.130
local terms energy: -94.592536
where:
bonds (distance) C4'-P energy: -25.399
bonds (distance) P-C4' energy: -23.810
flat angles C4'-P-C4' energy: -25.598
flat angles P-C4'-P energy: -4.655
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: 1, replica: 6
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -506.156910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.156910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.156910 (E_RNA)
where:
Base-Base interactions energy: -351.853
where: short stacking energy: -155.528
Base-Backbone interact. energy: -0.253
local terms energy: -154.050829
where:
bonds (distance) C4'-P energy: -32.412
bonds (distance) P-C4' energy: -21.787
flat angles C4'-P-C4' energy: -29.870
flat angles P-C4'-P energy: -24.707
tors. eta vs tors. theta energy: -45.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -470.939658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.939658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.939658 (E_RNA)
where:
Base-Base interactions energy: -327.631
where: short stacking energy: -132.442
Base-Backbone interact. energy: 0.415
local terms energy: -143.723877
where:
bonds (distance) C4'-P energy: -29.899
bonds (distance) P-C4' energy: -26.751
flat angles C4'-P-C4' energy: -31.482
flat angles P-C4'-P energy: -22.979
tors. eta vs tors. theta energy: -32.612
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: 5
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -440.139649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.139649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.139649 (E_RNA)
where:
Base-Base interactions energy: -308.875
where: short stacking energy: -131.496
Base-Backbone interact. energy: -0.625
local terms energy: -130.640155
where:
bonds (distance) C4'-P energy: -25.795
bonds (distance) P-C4' energy: -29.506
flat angles C4'-P-C4' energy: -29.775
flat angles P-C4'-P energy: -17.135
tors. eta vs tors. theta energy: -28.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -450.000848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.000848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.000848 (E_RNA)
where:
Base-Base interactions energy: -305.905
where: short stacking energy: -126.140
Base-Backbone interact. energy: -1.182
local terms energy: -142.914162
where:
bonds (distance) C4'-P energy: -26.640
bonds (distance) P-C4' energy: -25.371
flat angles C4'-P-C4' energy: -28.660
flat angles P-C4'-P energy: -21.963
tors. eta vs tors. theta energy: -40.281
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: 3
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -452.415650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.415650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.415650 (E_RNA)
where:
Base-Base interactions energy: -296.285
where: short stacking energy: -146.395
Base-Backbone interact. energy: -0.070
local terms energy: -156.060570
where:
bonds (distance) C4'-P energy: -28.698
bonds (distance) P-C4' energy: -29.367
flat angles C4'-P-C4' energy: -29.222
flat angles P-C4'-P energy: -23.046
tors. eta vs tors. theta energy: -45.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -372.460272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.460272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.460272 (E_RNA)
where:
Base-Base interactions energy: -246.453
where: short stacking energy: -91.621
Base-Backbone interact. energy: -0.773
local terms energy: -125.234954
where:
bonds (distance) C4'-P energy: -26.863
bonds (distance) P-C4' energy: -28.681
flat angles C4'-P-C4' energy: -28.220
flat angles P-C4'-P energy: -20.845
tors. eta vs tors. theta energy: -20.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -364.345581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.345581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.345581 (E_RNA)
where:
Base-Base interactions energy: -231.666
where: short stacking energy: -102.333
Base-Backbone interact. energy: -0.415
local terms energy: -132.264576
where:
bonds (distance) C4'-P energy: -26.276
bonds (distance) P-C4' energy: -24.528
flat angles C4'-P-C4' energy: -27.473
flat angles P-C4'-P energy: -20.006
tors. eta vs tors. theta energy: -33.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -222.849854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.849854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.849854 (E_RNA)
where:
Base-Base interactions energy: -137.138
where: short stacking energy: -77.107
Base-Backbone interact. energy: 2.192
local terms energy: -87.904513
where:
bonds (distance) C4'-P energy: -26.505
bonds (distance) P-C4' energy: -29.975
flat angles C4'-P-C4' energy: -22.265
flat angles P-C4'-P energy: 3.787
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: 9, replica: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -165.060540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.060540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.060540 (E_RNA)
where:
Base-Base interactions energy: -77.736
where: short stacking energy: -60.128
Base-Backbone interact. energy: 0.645
local terms energy: -87.969475
where:
bonds (distance) C4'-P energy: -22.254
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -26.326
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -10.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -136.166649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.166649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.166649 (E_RNA)
where:
Base-Base interactions energy: -50.078
where: short stacking energy: -50.017
Base-Backbone interact. energy: 2.161
local terms energy: -88.249025
where:
bonds (distance) C4'-P energy: -21.331
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -24.992
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -5.768
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: 1, replica: 6
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -500.602139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.602139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.602139 (E_RNA)
where:
Base-Base interactions energy: -350.966
where: short stacking energy: -149.143
Base-Backbone interact. energy: -0.115
local terms energy: -149.521138
where:
bonds (distance) C4'-P energy: -27.364
bonds (distance) P-C4' energy: -27.701
flat angles C4'-P-C4' energy: -33.635
flat angles P-C4'-P energy: -22.957
tors. eta vs tors. theta energy: -37.864
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: 10
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -466.288907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.288907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.288907 (E_RNA)
where:
Base-Base interactions energy: -320.599
where: short stacking energy: -129.701
Base-Backbone interact. energy: -1.900
local terms energy: -143.790652
where:
bonds (distance) C4'-P energy: -24.899
bonds (distance) P-C4' energy: -32.405
flat angles C4'-P-C4' energy: -31.966
flat angles P-C4'-P energy: -21.374
tors. eta vs tors. theta energy: -33.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -453.991138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.991138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.991138 (E_RNA)
where:
Base-Base interactions energy: -310.657
where: short stacking energy: -139.950
Base-Backbone interact. energy: -0.274
local terms energy: -143.060110
where:
bonds (distance) C4'-P energy: -28.673
bonds (distance) P-C4' energy: -29.670
flat angles C4'-P-C4' energy: -30.204
flat angles P-C4'-P energy: -21.915
tors. eta vs tors. theta energy: -32.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -449.382217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.382217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.382217 (E_RNA)
where:
Base-Base interactions energy: -299.280
where: short stacking energy: -137.044
Base-Backbone interact. energy: -0.014
local terms energy: -150.087723
where:
bonds (distance) C4'-P energy: -24.036
bonds (distance) P-C4' energy: -28.539
flat angles C4'-P-C4' energy: -30.398
flat angles P-C4'-P energy: -23.718
tors. eta vs tors. theta energy: -43.397
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: 1
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -444.792431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.792431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.792431 (E_RNA)
where:
Base-Base interactions energy: -311.990
where: short stacking energy: -119.013
Base-Backbone interact. energy: -1.986
local terms energy: -130.816575
where:
bonds (distance) C4'-P energy: -25.838
bonds (distance) P-C4' energy: -23.927
flat angles C4'-P-C4' energy: -29.500
flat angles P-C4'-P energy: -16.914
tors. eta vs tors. theta energy: -34.638
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: 8
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -369.502766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.502766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.502766 (E_RNA)
where:
Base-Base interactions energy: -241.215
where: short stacking energy: -118.026
Base-Backbone interact. energy: -1.791
local terms energy: -126.497399
where:
bonds (distance) C4'-P energy: -23.428
bonds (distance) P-C4' energy: -24.465
flat angles C4'-P-C4' energy: -28.773
flat angles P-C4'-P energy: -20.437
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: 7, replica: 2
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -344.328734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.328734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.328734 (E_RNA)
where:
Base-Base interactions energy: -230.848
where: short stacking energy: -113.798
Base-Backbone interact. energy: 0.011
local terms energy: -113.491571
where:
bonds (distance) C4'-P energy: -24.755
bonds (distance) P-C4' energy: -27.156
flat angles C4'-P-C4' energy: -23.907
flat angles P-C4'-P energy: -17.183
tors. eta vs tors. theta energy: -20.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -242.493199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.493199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.493199 (E_RNA)
where:
Base-Base interactions energy: -146.066
where: short stacking energy: -84.140
Base-Backbone interact. energy: -1.018
local terms energy: -95.409342
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -22.734
flat angles C4'-P-C4' energy: -23.410
flat angles P-C4'-P energy: -17.211
tors. eta vs tors. theta energy: -16.871
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: 9, replica: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -171.857294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.857294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.857294 (E_RNA)
where:
Base-Base interactions energy: -84.461
where: short stacking energy: -56.633
Base-Backbone interact. energy: -0.346
local terms energy: -87.049695
where:
bonds (distance) C4'-P energy: -29.557
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -23.293
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -5.642
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: 10, replica: 7
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -149.701645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.701645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.701645 (E_RNA)
where:
Base-Base interactions energy: -71.065
where: short stacking energy: -54.981
Base-Backbone interact. energy: -0.174
local terms energy: -78.463192
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -23.484
flat angles C4'-P-C4' energy: -22.162
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -6.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -509.351078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.351078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.351078 (E_RNA)
where:
Base-Base interactions energy: -351.958
where: short stacking energy: -150.596
Base-Backbone interact. energy: 1.325
local terms energy: -158.718087
where:
bonds (distance) C4'-P energy: -30.192
bonds (distance) P-C4' energy: -29.972
flat angles C4'-P-C4' energy: -35.891
flat angles P-C4'-P energy: -23.629
tors. eta vs tors. theta energy: -39.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -469.230263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.230263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.230263 (E_RNA)
where:
Base-Base interactions energy: -322.471
where: short stacking energy: -136.234
Base-Backbone interact. energy: -0.889
local terms energy: -145.870014
where:
bonds (distance) C4'-P energy: -26.124
bonds (distance) P-C4' energy: -26.924
flat angles C4'-P-C4' energy: -30.647
flat angles P-C4'-P energy: -24.952
tors. eta vs tors. theta energy: -37.223
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: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -458.331572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.331572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.331572 (E_RNA)
where:
Base-Base interactions energy: -315.732
where: short stacking energy: -131.534
Base-Backbone interact. energy: -0.674
local terms energy: -141.925684
where:
bonds (distance) C4'-P energy: -28.210
bonds (distance) P-C4' energy: -22.798
flat angles C4'-P-C4' energy: -32.237
flat angles P-C4'-P energy: -18.744
tors. eta vs tors. theta energy: -39.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -458.173640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.173640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.173640 (E_RNA)
where:
Base-Base interactions energy: -311.974
where: short stacking energy: -139.893
Base-Backbone interact. energy: -0.036
local terms energy: -146.163735
where:
bonds (distance) C4'-P energy: -26.757
bonds (distance) P-C4' energy: -25.181
flat angles C4'-P-C4' energy: -32.026
flat angles P-C4'-P energy: -20.513
tors. eta vs tors. theta energy: -41.687
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: 5, replica: 1
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -452.238708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.238708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.238708 (E_RNA)
where:
Base-Base interactions energy: -320.332
where: short stacking energy: -139.519
Base-Backbone interact. energy: -0.506
local terms energy: -131.400682
where:
bonds (distance) C4'-P energy: -24.271
bonds (distance) P-C4' energy: -23.322
flat angles C4'-P-C4' energy: -30.484
flat angles P-C4'-P energy: -17.473
tors. eta vs tors. theta energy: -35.851
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: 8
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -380.784256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.784256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.784256 (E_RNA)
where:
Base-Base interactions energy: -248.518
where: short stacking energy: -119.254
Base-Backbone interact. energy: -0.320
local terms energy: -131.946707
where:
bonds (distance) C4'-P energy: -22.678
bonds (distance) P-C4' energy: -27.490
flat angles C4'-P-C4' energy: -32.579
flat angles P-C4'-P energy: -17.804
tors. eta vs tors. theta energy: -31.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -315.166536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.166536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.166536 (E_RNA)
where:
Base-Base interactions energy: -215.894
where: short stacking energy: -93.871
Base-Backbone interact. energy: -0.083
local terms energy: -99.188908
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -24.730
flat angles C4'-P-C4' energy: -25.198
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -21.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -249.118473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.118473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.118473 (E_RNA)
where:
Base-Base interactions energy: -167.611
where: short stacking energy: -80.825
Base-Backbone interact. energy: -0.536
local terms energy: -80.971034
where:
bonds (distance) C4'-P energy: -20.137
bonds (distance) P-C4' energy: -24.723
flat angles C4'-P-C4' energy: -22.453
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -2.576
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: 7
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -169.371286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.371286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.371286 (E_RNA)
where:
Base-Base interactions energy: -73.902
where: short stacking energy: -43.811
Base-Backbone interact. energy: 1.604
local terms energy: -97.072858
where:
bonds (distance) C4'-P energy: -27.696
bonds (distance) P-C4' energy: -29.793
flat angles C4'-P-C4' energy: -22.848
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -2.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -130.737817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.737817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.737817 (E_RNA)
where:
Base-Base interactions energy: -54.503
where: short stacking energy: -44.010
Base-Backbone interact. energy: -0.557
local terms energy: -75.677699
where:
bonds (distance) C4'-P energy: -19.320
bonds (distance) P-C4' energy: -24.847
flat angles C4'-P-C4' energy: -22.961
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: 0.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -512.928344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.928344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.928344 (E_RNA)
where:
Base-Base interactions energy: -360.530
where: short stacking energy: -157.484
Base-Backbone interact. energy: -0.041
local terms energy: -152.356802
where:
bonds (distance) C4'-P energy: -31.952
bonds (distance) P-C4' energy: -24.152
flat angles C4'-P-C4' energy: -29.326
flat angles P-C4'-P energy: -23.197
tors. eta vs tors. theta energy: -43.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -474.491025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.491025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.491025 (E_RNA)
where:
Base-Base interactions energy: -325.671
where: short stacking energy: -141.216
Base-Backbone interact. energy: -1.033
local terms energy: -147.786373
where:
bonds (distance) C4'-P energy: -20.507
bonds (distance) P-C4' energy: -31.424
flat angles C4'-P-C4' energy: -35.329
flat angles P-C4'-P energy: -21.440
tors. eta vs tors. theta energy: -39.087
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: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -472.625683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.625683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.625683 (E_RNA)
where:
Base-Base interactions energy: -329.862
where: short stacking energy: -145.018
Base-Backbone interact. energy: -0.313
local terms energy: -142.450818
where:
bonds (distance) C4'-P energy: -29.579
bonds (distance) P-C4' energy: -27.977
flat angles C4'-P-C4' energy: -30.470
flat angles P-C4'-P energy: -18.414
tors. eta vs tors. theta energy: -36.011
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: 1
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -455.743695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.743695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.743695 (E_RNA)
where:
Base-Base interactions energy: -328.165
where: short stacking energy: -134.603
Base-Backbone interact. energy: 0.460
local terms energy: -128.038626
where:
bonds (distance) C4'-P energy: -24.063
bonds (distance) P-C4' energy: -23.816
flat angles C4'-P-C4' energy: -27.073
flat angles P-C4'-P energy: -21.246
tors. eta vs tors. theta energy: -31.840
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: 3
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -448.471177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.471177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.471177 (E_RNA)
where:
Base-Base interactions energy: -308.243
where: short stacking energy: -137.277
Base-Backbone interact. energy: -0.714
local terms energy: -139.513595
where:
bonds (distance) C4'-P energy: -26.549
bonds (distance) P-C4' energy: -24.477
flat angles C4'-P-C4' energy: -30.730
flat angles P-C4'-P energy: -17.108
tors. eta vs tors. theta energy: -40.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -321.388982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.388982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.388982 (E_RNA)
where:
Base-Base interactions energy: -200.752
where: short stacking energy: -83.660
Base-Backbone interact. energy: 0.825
local terms energy: -121.462419
where:
bonds (distance) C4'-P energy: -23.490
bonds (distance) P-C4' energy: -31.334
flat angles C4'-P-C4' energy: -28.838
flat angles P-C4'-P energy: -16.826
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: 7, replica: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -379.237561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.237561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.237561 (E_RNA)
where:
Base-Base interactions energy: -255.928
where: short stacking energy: -117.786
Base-Backbone interact. energy: -0.781
local terms energy: -122.528208
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -28.015
flat angles C4'-P-C4' energy: -28.194
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -33.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -222.189167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.189167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.189167 (E_RNA)
where:
Base-Base interactions energy: -125.021
where: short stacking energy: -72.168
Base-Backbone interact. energy: 0.934
local terms energy: -98.102938
where:
bonds (distance) C4'-P energy: -26.566
bonds (distance) P-C4' energy: -30.106
flat angles C4'-P-C4' energy: -26.334
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -137.527662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.527662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.527662 (E_RNA)
where:
Base-Base interactions energy: -45.547
where: short stacking energy: -35.725
Base-Backbone interact. energy: 0.159
local terms energy: -92.139511
where:
bonds (distance) C4'-P energy: -25.175
bonds (distance) P-C4' energy: -26.139
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -17.735
tors. eta vs tors. theta energy: -4.963
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: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -134.903493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.903493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.903493 (E_RNA)
where:
Base-Base interactions energy: -53.392
where: short stacking energy: -43.395
Base-Backbone interact. energy: -0.518
local terms energy: -80.992615
where:
bonds (distance) C4'-P energy: -23.730
bonds (distance) P-C4' energy: -21.040
flat angles C4'-P-C4' energy: -24.124
flat angles P-C4'-P energy: -6.214
tors. eta vs tors. theta energy: -5.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -478.051220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.051220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.051220 (E_RNA)
where:
Base-Base interactions energy: -327.436
where: short stacking energy: -134.727
Base-Backbone interact. energy: -0.634
local terms energy: -149.981293
where:
bonds (distance) C4'-P energy: -30.730
bonds (distance) P-C4' energy: -32.009
flat angles C4'-P-C4' energy: -30.952
flat angles P-C4'-P energy: -24.854
tors. eta vs tors. theta energy: -31.437
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: 2, replica: 6
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -494.473288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.473288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.473288 (E_RNA)
where:
Base-Base interactions energy: -338.668
where: short stacking energy: -153.513
Base-Backbone interact. energy: 0.305
local terms energy: -156.110325
where:
bonds (distance) C4'-P energy: -28.677
bonds (distance) P-C4' energy: -28.784
flat angles C4'-P-C4' energy: -33.876
flat angles P-C4'-P energy: -22.315
tors. eta vs tors. theta energy: -42.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -467.244903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.244903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.244903 (E_RNA)
where:
Base-Base interactions energy: -321.947
where: short stacking energy: -144.784
Base-Backbone interact. energy: -0.301
local terms energy: -144.996347
where:
bonds (distance) C4'-P energy: -27.833
bonds (distance) P-C4' energy: -28.971
flat angles C4'-P-C4' energy: -30.076
flat angles P-C4'-P energy: -18.445
tors. eta vs tors. theta energy: -39.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -442.800806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.800806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.800806 (E_RNA)
where:
Base-Base interactions energy: -310.095
where: short stacking energy: -132.641
Base-Backbone interact. energy: 0.904
local terms energy: -133.609286
where:
bonds (distance) C4'-P energy: -27.424
bonds (distance) P-C4' energy: -26.075
flat angles C4'-P-C4' energy: -24.511
flat angles P-C4'-P energy: -19.936
tors. eta vs tors. theta energy: -35.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -447.420246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.420246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.420246 (E_RNA)
where:
Base-Base interactions energy: -310.774
where: short stacking energy: -131.351
Base-Backbone interact. energy: -0.086
local terms energy: -136.561046
where:
bonds (distance) C4'-P energy: -25.375
bonds (distance) P-C4' energy: -21.798
flat angles C4'-P-C4' energy: -29.832
flat angles P-C4'-P energy: -22.383
tors. eta vs tors. theta energy: -37.174
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: 74
Temperature: 1.150000
Total energy: -338.109957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.109957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.109957 (E_RNA)
where:
Base-Base interactions energy: -233.158
where: short stacking energy: -101.932
Base-Backbone interact. energy: 0.087
local terms energy: -105.038638
where:
bonds (distance) C4'-P energy: -24.563
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -25.976
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -16.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -370.510463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.510463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.510463 (E_RNA)
where:
Base-Base interactions energy: -240.359
where: short stacking energy: -109.940
Base-Backbone interact. energy: -0.897
local terms energy: -129.254620
where:
bonds (distance) C4'-P energy: -19.938
bonds (distance) P-C4' energy: -27.250
flat angles C4'-P-C4' energy: -26.309
flat angles P-C4'-P energy: -23.648
tors. eta vs tors. theta energy: -32.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -268.442414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.442414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.442414 (E_RNA)
where:
Base-Base interactions energy: -157.974
where: short stacking energy: -72.289
Base-Backbone interact. energy: -1.110
local terms energy: -109.358976
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -27.928
flat angles C4'-P-C4' energy: -25.378
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -22.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -152.571787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.571787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.571787 (E_RNA)
where:
Base-Base interactions energy: -64.662
where: short stacking energy: -59.718
Base-Backbone interact. energy: -0.859
local terms energy: -87.050502
where:
bonds (distance) C4'-P energy: -21.586
bonds (distance) P-C4' energy: -19.110
flat angles C4'-P-C4' energy: -27.944
flat angles P-C4'-P energy: -16.359
tors. eta vs tors. theta energy: -2.052
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: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -137.979300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.979300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.979300 (E_RNA)
where:
Base-Base interactions energy: -48.522
where: short stacking energy: -35.847
Base-Backbone interact. energy: -0.807
local terms energy: -88.650330
where:
bonds (distance) C4'-P energy: -20.156
bonds (distance) P-C4' energy: -24.959
flat angles C4'-P-C4' energy: -24.061
flat angles P-C4'-P energy: -14.297
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: 1, replica: 10
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -477.718707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.718707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.718707 (E_RNA)
where:
Base-Base interactions energy: -324.247
where: short stacking energy: -143.663
Base-Backbone interact. energy: -2.474
local terms energy: -150.998332
where:
bonds (distance) C4'-P energy: -28.260
bonds (distance) P-C4' energy: -32.049
flat angles C4'-P-C4' energy: -33.120
flat angles P-C4'-P energy: -21.712
tors. eta vs tors. theta energy: -35.858
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: 6
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -494.525747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.525747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.525747 (E_RNA)
where:
Base-Base interactions energy: -342.172
where: short stacking energy: -153.735
Base-Backbone interact. energy: -0.586
local terms energy: -151.767835
where:
bonds (distance) C4'-P energy: -30.100
bonds (distance) P-C4' energy: -28.489
flat angles C4'-P-C4' energy: -31.432
flat angles P-C4'-P energy: -18.372
tors. eta vs tors. theta energy: -43.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -468.937687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.937687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.937687 (E_RNA)
where:
Base-Base interactions energy: -329.763
where: short stacking energy: -126.717
Base-Backbone interact. energy: -0.880
local terms energy: -138.295189
where:
bonds (distance) C4'-P energy: -24.090
bonds (distance) P-C4' energy: -30.549
flat angles C4'-P-C4' energy: -34.214
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -35.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -448.257538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.257538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.257538 (E_RNA)
where:
Base-Base interactions energy: -304.929
where: short stacking energy: -137.613
Base-Backbone interact. energy: -0.632
local terms energy: -142.696825
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -27.133
flat angles C4'-P-C4' energy: -32.373
flat angles P-C4'-P energy: -23.638
tors. eta vs tors. theta energy: -39.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -435.238298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.238298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.238298 (E_RNA)
where:
Base-Base interactions energy: -300.988
where: short stacking energy: -122.669
Base-Backbone interact. energy: -0.393
local terms energy: -133.857520
where:
bonds (distance) C4'-P energy: -31.882
bonds (distance) P-C4' energy: -27.248
flat angles C4'-P-C4' energy: -24.297
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -36.585
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: 8
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -355.591605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.591605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.591605 (E_RNA)
where:
Base-Base interactions energy: -233.082
where: short stacking energy: -119.250
Base-Backbone interact. energy: 0.126
local terms energy: -122.636309
where:
bonds (distance) C4'-P energy: -29.820
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -16.672
tors. eta vs tors. theta energy: -38.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -331.664391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.664391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.664391 (E_RNA)
where:
Base-Base interactions energy: -228.384
where: short stacking energy: -108.363
Base-Backbone interact. energy: -0.375
local terms energy: -102.905382
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -21.579
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -16.296
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: 8, replica: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -224.639961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.639961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.639961 (E_RNA)
where:
Base-Base interactions energy: -120.458
where: short stacking energy: -76.354
Base-Backbone interact. energy: -0.774
local terms energy: -103.407261
where:
bonds (distance) C4'-P energy: -23.783
bonds (distance) P-C4' energy: -27.932
flat angles C4'-P-C4' energy: -21.984
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -15.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -141.462278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.462278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.462278 (E_RNA)
where:
Base-Base interactions energy: -60.613
where: short stacking energy: -60.613
Base-Backbone interact. energy: -0.149
local terms energy: -80.700308
where:
bonds (distance) C4'-P energy: -20.354
bonds (distance) P-C4' energy: -23.755
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -16.348
tors. eta vs tors. theta energy: -3.270
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: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -144.187352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.187352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.187352 (E_RNA)
where:
Base-Base interactions energy: -44.332
where: short stacking energy: -35.069
Base-Backbone interact. energy: -1.011
local terms energy: -98.844170
where:
bonds (distance) C4'-P energy: -26.007
bonds (distance) P-C4' energy: -28.474
flat angles C4'-P-C4' energy: -24.325
flat angles P-C4'-P energy: -16.037
tors. eta vs tors. theta energy: -4.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -470.290026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.290026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.290026 (E_RNA)
where:
Base-Base interactions energy: -330.181
where: short stacking energy: -136.121
Base-Backbone interact. energy: -0.354
local terms energy: -139.755184
where:
bonds (distance) C4'-P energy: -26.413
bonds (distance) P-C4' energy: -27.800
flat angles C4'-P-C4' energy: -28.640
flat angles P-C4'-P energy: -20.609
tors. eta vs tors. theta energy: -36.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -499.841109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.841109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.841109 (E_RNA)
where:
Base-Base interactions energy: -347.881
where: short stacking energy: -152.131
Base-Backbone interact. energy: -0.052
local terms energy: -151.908145
where:
bonds (distance) C4'-P energy: -25.326
bonds (distance) P-C4' energy: -27.893
flat angles C4'-P-C4' energy: -29.937
flat angles P-C4'-P energy: -23.938
tors. eta vs tors. theta energy: -44.814
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: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -455.102126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.102126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.102126 (E_RNA)
where:
Base-Base interactions energy: -307.353
where: short stacking energy: -143.979
Base-Backbone interact. energy: -1.450
local terms energy: -146.298749
where:
bonds (distance) C4'-P energy: -23.379
bonds (distance) P-C4' energy: -29.379
flat angles C4'-P-C4' energy: -29.288
flat angles P-C4'-P energy: -23.333
tors. eta vs tors. theta energy: -40.919
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: 1
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -447.476409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.476409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.476409 (E_RNA)
where:
Base-Base interactions energy: -317.321
where: short stacking energy: -127.610
Base-Backbone interact. energy: 0.191
local terms energy: -130.346960
where:
bonds (distance) C4'-P energy: -23.774
bonds (distance) P-C4' energy: -25.635
flat angles C4'-P-C4' energy: -28.531
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -36.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -424.145211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.145211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.145211 (E_RNA)
where:
Base-Base interactions energy: -289.442
where: short stacking energy: -120.030
Base-Backbone interact. energy: -0.554
local terms energy: -134.149192
where:
bonds (distance) C4'-P energy: -23.021
bonds (distance) P-C4' energy: -31.196
flat angles C4'-P-C4' energy: -30.235
flat angles P-C4'-P energy: -16.364
tors. eta vs tors. theta energy: -33.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -382.827314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.827314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.827314 (E_RNA)
where:
Base-Base interactions energy: -252.559
where: short stacking energy: -115.920
Base-Backbone interact. energy: -0.218
local terms energy: -130.050286
where:
bonds (distance) C4'-P energy: -29.783
bonds (distance) P-C4' energy: -26.144
flat angles C4'-P-C4' energy: -25.367
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -35.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -329.708044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.708044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.708044 (E_RNA)
where:
Base-Base interactions energy: -222.692
where: short stacking energy: -108.276
Base-Backbone interact. energy: -0.816
local terms energy: -106.200044
where:
bonds (distance) C4'-P energy: -18.883
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -23.606
flat angles P-C4'-P energy: -16.525
tors. eta vs tors. theta energy: -24.766
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: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -213.876613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.876613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.876613 (E_RNA)
where:
Base-Base interactions energy: -119.168
where: short stacking energy: -69.066
Base-Backbone interact. energy: 0.715
local terms energy: -95.422939
where:
bonds (distance) C4'-P energy: -20.819
bonds (distance) P-C4' energy: -29.533
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -19.608
tors. eta vs tors. theta energy: -7.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -148.636674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.636674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.636674 (E_RNA)
where:
Base-Base interactions energy: -59.925
where: short stacking energy: -41.695
Base-Backbone interact. energy: -0.463
local terms energy: -88.249299
where:
bonds (distance) C4'-P energy: -25.854
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -23.196
flat angles P-C4'-P energy: -18.741
tors. eta vs tors. theta energy: -3.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -137.877919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.877919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.877919 (E_RNA)
where:
Base-Base interactions energy: -44.992
where: short stacking energy: -37.448
Base-Backbone interact. energy: -0.845
local terms energy: -92.040886
where:
bonds (distance) C4'-P energy: -24.550
bonds (distance) P-C4' energy: -23.619
flat angles C4'-P-C4' energy: -30.458
flat angles P-C4'-P energy: -16.725
tors. eta vs tors. theta energy: 3.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -473.646966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.646966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.646966 (E_RNA)
where:
Base-Base interactions energy: -325.648
where: short stacking energy: -143.842
Base-Backbone interact. energy: -0.353
local terms energy: -147.645970
where:
bonds (distance) C4'-P energy: -28.822
bonds (distance) P-C4' energy: -27.492
flat angles C4'-P-C4' energy: -31.473
flat angles P-C4'-P energy: -20.052
tors. eta vs tors. theta energy: -39.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -508.778127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.778127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.778127 (E_RNA)
where:
Base-Base interactions energy: -351.237
where: short stacking energy: -148.881
Base-Backbone interact. energy: -0.055
local terms energy: -157.485785
where:
bonds (distance) C4'-P energy: -31.509
bonds (distance) P-C4' energy: -30.235
flat angles C4'-P-C4' energy: -30.757
flat angles P-C4'-P energy: -22.718
tors. eta vs tors. theta energy: -42.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -481.815913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.815913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.815913 (E_RNA)
where:
Base-Base interactions energy: -326.435
where: short stacking energy: -152.201
Base-Backbone interact. energy: -1.871
local terms energy: -153.509727
where:
bonds (distance) C4'-P energy: -25.269
bonds (distance) P-C4' energy: -30.006
flat angles C4'-P-C4' energy: -30.445
flat angles P-C4'-P energy: -18.790
tors. eta vs tors. theta energy: -48.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -429.154231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.154231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.154231 (E_RNA)
where:
Base-Base interactions energy: -302.761
where: short stacking energy: -124.143
Base-Backbone interact. energy: -0.285
local terms energy: -126.108180
where:
bonds (distance) C4'-P energy: -24.132
bonds (distance) P-C4' energy: -28.950
flat angles C4'-P-C4' energy: -28.583
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -28.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -455.969470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.969470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.969470 (E_RNA)
where:
Base-Base interactions energy: -326.410
where: short stacking energy: -136.731
Base-Backbone interact. energy: 1.245
local terms energy: -130.804660
where:
bonds (distance) C4'-P energy: -27.937
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -26.116
flat angles P-C4'-P energy: -19.204
tors. eta vs tors. theta energy: -35.137
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: 8
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -384.093731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.093731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.093731 (E_RNA)
where:
Base-Base interactions energy: -249.884
where: short stacking energy: -121.956
Base-Backbone interact. energy: -0.271
local terms energy: -133.938693
where:
bonds (distance) C4'-P energy: -29.925
bonds (distance) P-C4' energy: -25.574
flat angles C4'-P-C4' energy: -26.182
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -37.930
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: 2
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -340.064711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.064711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.064711 (E_RNA)
where:
Base-Base interactions energy: -216.505
where: short stacking energy: -94.686
Base-Backbone interact. energy: -0.740
local terms energy: -122.819575
where:
bonds (distance) C4'-P energy: -25.081
bonds (distance) P-C4' energy: -28.505
flat angles C4'-P-C4' energy: -28.240
flat angles P-C4'-P energy: -18.340
tors. eta vs tors. theta energy: -22.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -208.212070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.212070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.212070 (E_RNA)
where:
Base-Base interactions energy: -108.721
where: short stacking energy: -58.867
Base-Backbone interact. energy: -0.483
local terms energy: -99.008241
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -28.712
flat angles C4'-P-C4' energy: -27.674
flat angles P-C4'-P energy: -15.808
tors. eta vs tors. theta energy: -11.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -141.366857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.366857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.366857 (E_RNA)
where:
Base-Base interactions energy: -45.273
where: short stacking energy: -43.575
Base-Backbone interact. energy: -2.626
local terms energy: -93.467734
where:
bonds (distance) C4'-P energy: -23.345
bonds (distance) P-C4' energy: -26.674
flat angles C4'-P-C4' energy: -22.770
flat angles P-C4'-P energy: -21.236
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: 10, replica: 7
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -129.657652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.657652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.657652 (E_RNA)
where:
Base-Base interactions energy: -43.348
where: short stacking energy: -37.111
Base-Backbone interact. energy: 0.746
local terms energy: -87.056101
where:
bonds (distance) C4'-P energy: -25.302
bonds (distance) P-C4' energy: -26.650
flat angles C4'-P-C4' energy: -23.520
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: 1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -509.419712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.419712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.419712 (E_RNA)
where:
Base-Base interactions energy: -360.349
where: short stacking energy: -160.419
Base-Backbone interact. energy: -0.860
local terms energy: -148.210216
where:
bonds (distance) C4'-P energy: -27.403
bonds (distance) P-C4' energy: -26.666
flat angles C4'-P-C4' energy: -30.814
flat angles P-C4'-P energy: -18.622
tors. eta vs tors. theta energy: -44.706
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: 78
Temperature: 0.950000
Total energy: -475.122806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.122806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.122806 (E_RNA)
where:
Base-Base interactions energy: -322.858
where: short stacking energy: -139.095
Base-Backbone interact. energy: -1.696
local terms energy: -150.568884
where:
bonds (distance) C4'-P energy: -22.981
bonds (distance) P-C4' energy: -26.272
flat angles C4'-P-C4' energy: -33.082
flat angles P-C4'-P energy: -21.785
tors. eta vs tors. theta energy: -46.448
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: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -478.946573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.946573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.946573 (E_RNA)
where:
Base-Base interactions energy: -327.693
where: short stacking energy: -152.719
Base-Backbone interact. energy: -0.043
local terms energy: -151.210606
where:
bonds (distance) C4'-P energy: -27.603
bonds (distance) P-C4' energy: -22.710
flat angles C4'-P-C4' energy: -34.078
flat angles P-C4'-P energy: -19.710
tors. eta vs tors. theta energy: -47.110
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: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -438.761928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.761928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.761928 (E_RNA)
where:
Base-Base interactions energy: -296.665
where: short stacking energy: -114.083
Base-Backbone interact. energy: -0.261
local terms energy: -141.836645
where:
bonds (distance) C4'-P energy: -31.889
bonds (distance) P-C4' energy: -26.448
flat angles C4'-P-C4' energy: -32.335
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -37.732
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: 5, replica: 1
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -451.991844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.991844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.991844 (E_RNA)
where:
Base-Base interactions energy: -316.260
where: short stacking energy: -128.336
Base-Backbone interact. energy: -0.558
local terms energy: -135.174087
where:
bonds (distance) C4'-P energy: -24.588
bonds (distance) P-C4' energy: -29.530
flat angles C4'-P-C4' energy: -29.125
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -38.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -355.689454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.689454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.689454 (E_RNA)
where:
Base-Base interactions energy: -231.661
where: short stacking energy: -98.296
Base-Backbone interact. energy: -0.813
local terms energy: -123.215364
where:
bonds (distance) C4'-P energy: -26.464
bonds (distance) P-C4' energy: -28.892
flat angles C4'-P-C4' energy: -31.244
flat angles P-C4'-P energy: -16.216
tors. eta vs tors. theta energy: -20.399
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: 2
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -330.302383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.302383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.302383 (E_RNA)
where:
Base-Base interactions energy: -214.185
where: short stacking energy: -99.639
Base-Backbone interact. energy: -2.188
local terms energy: -113.929417
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -26.101
flat angles C4'-P-C4' energy: -29.123
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -23.793
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: 4
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -220.810517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.810517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.810517 (E_RNA)
where:
Base-Base interactions energy: -121.912
where: short stacking energy: -66.822
Base-Backbone interact. energy: -0.228
local terms energy: -98.670017
where:
bonds (distance) C4'-P energy: -25.522
bonds (distance) P-C4' energy: -23.732
flat angles C4'-P-C4' energy: -23.059
flat angles P-C4'-P energy: -18.635
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: 9, replica: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -144.465984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.465984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.465984 (E_RNA)
where:
Base-Base interactions energy: -58.450
where: short stacking energy: -49.639
Base-Backbone interact. energy: -0.727
local terms energy: -85.288956
where:
bonds (distance) C4'-P energy: -24.122
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -27.794
flat angles P-C4'-P energy: -9.300
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: 10, replica: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -126.818485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.818485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.818485 (E_RNA)
where:
Base-Base interactions energy: -49.187
where: short stacking energy: -38.512
Base-Backbone interact. energy: -1.204
local terms energy: -76.427668
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -26.040
flat angles C4'-P-C4' energy: -22.366
flat angles P-C4'-P energy: -7.869
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: 6
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -511.230618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.230618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.230618 (E_RNA)
where:
Base-Base interactions energy: -351.931
where: short stacking energy: -144.621
Base-Backbone interact. energy: -0.051
local terms energy: -159.249333
where:
bonds (distance) C4'-P energy: -29.547
bonds (distance) P-C4' energy: -32.810
flat angles C4'-P-C4' energy: -33.532
flat angles P-C4'-P energy: -22.299
tors. eta vs tors. theta energy: -41.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -478.731880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.731880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.731880 (E_RNA)
where:
Base-Base interactions energy: -329.587
where: short stacking energy: -159.998
Base-Backbone interact. energy: -0.037
local terms energy: -149.107869
where:
bonds (distance) C4'-P energy: -29.567
bonds (distance) P-C4' energy: -24.946
flat angles C4'-P-C4' energy: -29.515
flat angles P-C4'-P energy: -21.907
tors. eta vs tors. theta energy: -43.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -459.801481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.801481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.801481 (E_RNA)
where:
Base-Base interactions energy: -316.660
where: short stacking energy: -144.615
Base-Backbone interact. energy: -1.266
local terms energy: -141.875851
where:
bonds (distance) C4'-P energy: -27.438
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -28.862
flat angles P-C4'-P energy: -19.216
tors. eta vs tors. theta energy: -43.479
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: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -450.769458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.769458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.769458 (E_RNA)
where:
Base-Base interactions energy: -322.288
where: short stacking energy: -128.061
Base-Backbone interact. energy: 0.210
local terms energy: -128.692136
where:
bonds (distance) C4'-P energy: -25.567
bonds (distance) P-C4' energy: -15.841
flat angles C4'-P-C4' energy: -32.496
flat angles P-C4'-P energy: -17.867
tors. eta vs tors. theta energy: -36.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -416.238639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.238639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.238639 (E_RNA)
where:
Base-Base interactions energy: -281.314
where: short stacking energy: -129.942
Base-Backbone interact. energy: -0.023
local terms energy: -134.901358
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -26.653
flat angles C4'-P-C4' energy: -32.921
flat angles P-C4'-P energy: -25.094
tors. eta vs tors. theta energy: -30.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -337.138908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.138908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.138908 (E_RNA)
where:
Base-Base interactions energy: -228.826
where: short stacking energy: -99.134
Base-Backbone interact. energy: 0.343
local terms energy: -108.656382
where:
bonds (distance) C4'-P energy: -24.048
bonds (distance) P-C4' energy: -26.435
flat angles C4'-P-C4' energy: -19.927
flat angles P-C4'-P energy: -15.259
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: 7, replica: 8
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -358.842167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.842167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.842167 (E_RNA)
where:
Base-Base interactions energy: -242.314
where: short stacking energy: -96.529
Base-Backbone interact. energy: -0.482
local terms energy: -116.046151
where:
bonds (distance) C4'-P energy: -21.635
bonds (distance) P-C4' energy: -19.747
flat angles C4'-P-C4' energy: -25.424
flat angles P-C4'-P energy: -20.329
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: 8, replica: 4
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -221.799857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.799857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.799857 (E_RNA)
where:
Base-Base interactions energy: -125.642
where: short stacking energy: -68.071
Base-Backbone interact. energy: 1.266
local terms energy: -97.423083
where:
bonds (distance) C4'-P energy: -27.879
bonds (distance) P-C4' energy: -24.479
flat angles C4'-P-C4' energy: -26.331
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -10.112
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: 7
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -144.653810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.653810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.653810 (E_RNA)
where:
Base-Base interactions energy: -68.019
where: short stacking energy: -47.799
Base-Backbone interact. energy: -1.448
local terms energy: -75.186741
where:
bonds (distance) C4'-P energy: -23.386
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -17.084
tors. eta vs tors. theta energy: 1.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -135.964004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.964004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.964004 (E_RNA)
where:
Base-Base interactions energy: -48.730
where: short stacking energy: -40.063
Base-Backbone interact. energy: 0.430
local terms energy: -87.664550
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -23.297
flat angles C4'-P-C4' energy: -24.781
flat angles P-C4'-P energy: -14.029
tors. eta vs tors. theta energy: -4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -493.300030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.300030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.300030 (E_RNA)
where:
Base-Base interactions energy: -340.813
where: short stacking energy: -138.053
Base-Backbone interact. energy: -0.729
local terms energy: -151.757766
where:
bonds (distance) C4'-P energy: -29.466
bonds (distance) P-C4' energy: -27.983
flat angles C4'-P-C4' energy: -31.370
flat angles P-C4'-P energy: -23.377
tors. eta vs tors. theta energy: -39.562
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: 3
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -482.708291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.708291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.708291 (E_RNA)
where:
Base-Base interactions energy: -327.392
where: short stacking energy: -147.413
Base-Backbone interact. energy: -0.779
local terms energy: -154.537645
where:
bonds (distance) C4'-P energy: -24.217
bonds (distance) P-C4' energy: -32.156
flat angles C4'-P-C4' energy: -29.792
flat angles P-C4'-P energy: -21.053
tors. eta vs tors. theta energy: -47.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -476.425732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.425732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.425732 (E_RNA)
where:
Base-Base interactions energy: -335.186
where: short stacking energy: -144.108
Base-Backbone interact. energy: -0.260
local terms energy: -140.979487
where:
bonds (distance) C4'-P energy: -24.687
bonds (distance) P-C4' energy: -28.740
flat angles C4'-P-C4' energy: -28.532
flat angles P-C4'-P energy: -21.069
tors. eta vs tors. theta energy: -37.952
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: 10
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -456.240203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.240203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.240203 (E_RNA)
where:
Base-Base interactions energy: -322.231
where: short stacking energy: -138.000
Base-Backbone interact. energy: -0.928
local terms energy: -133.081319
where:
bonds (distance) C4'-P energy: -23.167
bonds (distance) P-C4' energy: -21.645
flat angles C4'-P-C4' energy: -28.086
flat angles P-C4'-P energy: -22.368
tors. eta vs tors. theta energy: -37.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -414.873644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.873644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.873644 (E_RNA)
where:
Base-Base interactions energy: -290.888
where: short stacking energy: -123.880
Base-Backbone interact. energy: -0.206
local terms energy: -123.779266
where:
bonds (distance) C4'-P energy: -30.289
bonds (distance) P-C4' energy: -26.260
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -17.639
tors. eta vs tors. theta energy: -28.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -356.978404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.978404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.978404 (E_RNA)
where:
Base-Base interactions energy: -247.315
where: short stacking energy: -106.599
Base-Backbone interact. energy: -0.091
local terms energy: -109.572917
where:
bonds (distance) C4'-P energy: -26.180
bonds (distance) P-C4' energy: -28.487
flat angles C4'-P-C4' energy: -20.812
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -24.700
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: 80
Temperature: 1.200000
Total energy: -360.630650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.630650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.630650 (E_RNA)
where:
Base-Base interactions energy: -240.546
where: short stacking energy: -105.170
Base-Backbone interact. energy: -1.923
local terms energy: -118.162552
where:
bonds (distance) C4'-P energy: -20.581
bonds (distance) P-C4' energy: -23.181
flat angles C4'-P-C4' energy: -29.708
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -30.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -238.528740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.528740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.528740 (E_RNA)
where:
Base-Base interactions energy: -140.127
where: short stacking energy: -73.943
Base-Backbone interact. energy: -0.296
local terms energy: -98.105103
where:
bonds (distance) C4'-P energy: -19.894
bonds (distance) P-C4' energy: -28.166
flat angles C4'-P-C4' energy: -22.950
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -13.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -159.911381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.911381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.911381 (E_RNA)
where:
Base-Base interactions energy: -71.831
where: short stacking energy: -69.768
Base-Backbone interact. energy: 0.293
local terms energy: -88.372743
where:
bonds (distance) C4'-P energy: -21.561
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -22.327
flat angles P-C4'-P energy: -16.285
tors. eta vs tors. theta energy: -6.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -140.343217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.343217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.343217 (E_RNA)
where:
Base-Base interactions energy: -53.246
where: short stacking energy: -49.907
Base-Backbone interact. energy: -0.492
local terms energy: -86.605209
where:
bonds (distance) C4'-P energy: -27.121
bonds (distance) P-C4' energy: -28.233
flat angles C4'-P-C4' energy: -26.061
flat angles P-C4'-P energy: -3.678
tors. eta vs tors. theta energy: -1.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -493.448549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.448549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.448549 (E_RNA)
where:
Base-Base interactions energy: -347.352
where: short stacking energy: -147.072
Base-Backbone interact. energy: 0.267
local terms energy: -146.364203
where:
bonds (distance) C4'-P energy: -22.795
bonds (distance) P-C4' energy: -28.299
flat angles C4'-P-C4' energy: -31.812
flat angles P-C4'-P energy: -22.185
tors. eta vs tors. theta energy: -41.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -474.215200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.215200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.215200 (E_RNA)
where:
Base-Base interactions energy: -334.474
where: short stacking energy: -134.172
Base-Backbone interact. energy: 4.152
local terms energy: -143.893315
where:
bonds (distance) C4'-P energy: -31.172
bonds (distance) P-C4' energy: -30.538
flat angles C4'-P-C4' energy: -27.419
flat angles P-C4'-P energy: -15.970
tors. eta vs tors. theta energy: -38.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -489.395200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.395200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.395200 (E_RNA)
where:
Base-Base interactions energy: -333.295
where: short stacking energy: -143.632
Base-Backbone interact. energy: 0.539
local terms energy: -156.639698
where:
bonds (distance) C4'-P energy: -30.408
bonds (distance) P-C4' energy: -30.778
flat angles C4'-P-C4' energy: -33.540
flat angles P-C4'-P energy: -19.521
tors. eta vs tors. theta energy: -42.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -442.928094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.928094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.928094 (E_RNA)
where:
Base-Base interactions energy: -305.533
where: short stacking energy: -130.797
Base-Backbone interact. energy: -0.414
local terms energy: -136.981946
where:
bonds (distance) C4'-P energy: -28.424
bonds (distance) P-C4' energy: -25.350
flat angles C4'-P-C4' energy: -31.247
flat angles P-C4'-P energy: -20.085
tors. eta vs tors. theta energy: -31.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -439.369885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.369885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.369885 (E_RNA)
where:
Base-Base interactions energy: -302.394
where: short stacking energy: -136.076
Base-Backbone interact. energy: 0.309
local terms energy: -137.284818
where:
bonds (distance) C4'-P energy: -25.279
bonds (distance) P-C4' energy: -28.290
flat angles C4'-P-C4' energy: -26.481
flat angles P-C4'-P energy: -16.666
tors. eta vs tors. theta energy: -40.568
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: 8
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -359.211448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.211448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.211448 (E_RNA)
where:
Base-Base interactions energy: -229.080
where: short stacking energy: -108.201
Base-Backbone interact. energy: -0.844
local terms energy: -129.288107
where:
bonds (distance) C4'-P energy: -27.874
bonds (distance) P-C4' energy: -24.690
flat angles C4'-P-C4' energy: -31.491
flat angles P-C4'-P energy: -17.703
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: 7, replica: 2
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -330.478254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.478254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.478254 (E_RNA)
where:
Base-Base interactions energy: -218.636
where: short stacking energy: -96.995
Base-Backbone interact. energy: -0.798
local terms energy: -111.044416
where:
bonds (distance) C4'-P energy: -20.836
bonds (distance) P-C4' energy: -22.406
flat angles C4'-P-C4' energy: -27.700
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -23.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -213.131689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.131689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.131689 (E_RNA)
where:
Base-Base interactions energy: -113.257
where: short stacking energy: -62.449
Base-Backbone interact. energy: 0.082
local terms energy: -99.957411
where:
bonds (distance) C4'-P energy: -22.676
bonds (distance) P-C4' energy: -24.912
flat angles C4'-P-C4' energy: -24.041
flat angles P-C4'-P energy: -16.364
tors. eta vs tors. theta energy: -11.965
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: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -217.998911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.998911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.998911 (E_RNA)
where:
Base-Base interactions energy: -131.883
where: short stacking energy: -71.902
Base-Backbone interact. energy: 1.411
local terms energy: -87.526848
where:
bonds (distance) C4'-P energy: -18.580
bonds (distance) P-C4' energy: -23.348
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -14.847
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: 10, replica: 7
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -135.934582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.934582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.934582 (E_RNA)
where:
Base-Base interactions energy: -46.783
where: short stacking energy: -41.157
Base-Backbone interact. energy: -1.946
local terms energy: -87.205920
where:
bonds (distance) C4'-P energy: -22.706
bonds (distance) P-C4' energy: -26.441
flat angles C4'-P-C4' energy: -26.074
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -0.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -506.650498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.650498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.650498 (E_RNA)
where:
Base-Base interactions energy: -354.162
where: short stacking energy: -151.429
Base-Backbone interact. energy: -0.300
local terms energy: -152.188277
where:
bonds (distance) C4'-P energy: -30.253
bonds (distance) P-C4' energy: -29.162
flat angles C4'-P-C4' energy: -31.943
flat angles P-C4'-P energy: -22.855
tors. eta vs tors. theta energy: -37.974
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: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -472.792290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.792290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.792290 (E_RNA)
where:
Base-Base interactions energy: -327.411
where: short stacking energy: -135.443
Base-Backbone interact. energy: -0.003
local terms energy: -145.377917
where:
bonds (distance) C4'-P energy: -28.962
bonds (distance) P-C4' energy: -30.232
flat angles C4'-P-C4' energy: -33.698
flat angles P-C4'-P energy: -23.061
tors. eta vs tors. theta energy: -29.424
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: 3
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -465.553009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.553009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.553009 (E_RNA)
where:
Base-Base interactions energy: -314.237
where: short stacking energy: -139.595
Base-Backbone interact. energy: -1.419
local terms energy: -149.897193
where:
bonds (distance) C4'-P energy: -26.876
bonds (distance) P-C4' energy: -28.910
flat angles C4'-P-C4' energy: -29.952
flat angles P-C4'-P energy: -25.135
tors. eta vs tors. theta energy: -39.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -441.474597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.474597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.474597 (E_RNA)
where:
Base-Base interactions energy: -295.797
where: short stacking energy: -125.753
Base-Backbone interact. energy: 1.256
local terms energy: -146.933716
where:
bonds (distance) C4'-P energy: -29.829
bonds (distance) P-C4' energy: -27.247
flat angles C4'-P-C4' energy: -32.318
flat angles P-C4'-P energy: -20.843
tors. eta vs tors. theta energy: -36.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -433.086491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.086491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.086491 (E_RNA)
where:
Base-Base interactions energy: -305.204
where: short stacking energy: -127.277
Base-Backbone interact. energy: -0.273
local terms energy: -127.609883
where:
bonds (distance) C4'-P energy: -23.154
bonds (distance) P-C4' energy: -28.242
flat angles C4'-P-C4' energy: -31.188
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -33.028
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: 6, replica: 8
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -377.871569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.871569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.871569 (E_RNA)
where:
Base-Base interactions energy: -245.825
where: short stacking energy: -110.403
Base-Backbone interact. energy: 0.189
local terms energy: -132.235367
where:
bonds (distance) C4'-P energy: -24.332
bonds (distance) P-C4' energy: -28.277
flat angles C4'-P-C4' energy: -28.602
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -34.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -314.239193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.239193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.239193 (E_RNA)
where:
Base-Base interactions energy: -213.853
where: short stacking energy: -93.550
Base-Backbone interact. energy: -1.030
local terms energy: -99.356385
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -26.175
flat angles C4'-P-C4' energy: -21.062
flat angles P-C4'-P energy: -19.287
tors. eta vs tors. theta energy: -15.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -202.959332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.959332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.959332 (E_RNA)
where:
Base-Base interactions energy: -96.719
where: short stacking energy: -60.455
Base-Backbone interact. energy: -0.586
local terms energy: -105.653685
where:
bonds (distance) C4'-P energy: -23.551
bonds (distance) P-C4' energy: -29.182
flat angles C4'-P-C4' energy: -30.006
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -10.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -215.189351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.189351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.189351 (E_RNA)
where:
Base-Base interactions energy: -122.351
where: short stacking energy: -58.785
Base-Backbone interact. energy: 1.564
local terms energy: -94.402067
where:
bonds (distance) C4'-P energy: -22.901
bonds (distance) P-C4' energy: -27.776
flat angles C4'-P-C4' energy: -28.828
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -2.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -130.881578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.881578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.881578 (E_RNA)
where:
Base-Base interactions energy: -52.910
where: short stacking energy: -46.753
Base-Backbone interact. energy: 0.495
local terms energy: -78.465828
where:
bonds (distance) C4'-P energy: -19.850
bonds (distance) P-C4' energy: -29.081
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -4.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -497.299230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.299230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.299230 (E_RNA)
where:
Base-Base interactions energy: -340.756
where: short stacking energy: -141.894
Base-Backbone interact. energy: -0.329
local terms energy: -156.213664
where:
bonds (distance) C4'-P energy: -30.723
bonds (distance) P-C4' energy: -29.976
flat angles C4'-P-C4' energy: -28.010
flat angles P-C4'-P energy: -25.295
tors. eta vs tors. theta energy: -42.209
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: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -485.566484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.566484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.566484 (E_RNA)
where:
Base-Base interactions energy: -329.169
where: short stacking energy: -160.194
Base-Backbone interact. energy: -0.005
local terms energy: -156.392769
where:
bonds (distance) C4'-P energy: -24.570
bonds (distance) P-C4' energy: -24.248
flat angles C4'-P-C4' energy: -32.360
flat angles P-C4'-P energy: -25.795
tors. eta vs tors. theta energy: -49.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -463.508369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.508369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.508369 (E_RNA)
where:
Base-Base interactions energy: -312.737
where: short stacking energy: -135.342
Base-Backbone interact. energy: -0.413
local terms energy: -150.358552
where:
bonds (distance) C4'-P energy: -28.597
bonds (distance) P-C4' energy: -29.027
flat angles C4'-P-C4' energy: -29.338
flat angles P-C4'-P energy: -21.619
tors. eta vs tors. theta energy: -41.778
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: 83
Temperature: 1.050000
Total energy: -449.443586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.443586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.443586 (E_RNA)
where:
Base-Base interactions energy: -317.314
where: short stacking energy: -128.131
Base-Backbone interact. energy: -1.067
local terms energy: -131.062602
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -28.142
flat angles C4'-P-C4' energy: -30.758
flat angles P-C4'-P energy: -18.840
tors. eta vs tors. theta energy: -37.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -418.841372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.841372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.841372 (E_RNA)
where:
Base-Base interactions energy: -278.159
where: short stacking energy: -115.548
Base-Backbone interact. energy: -0.556
local terms energy: -140.125857
where:
bonds (distance) C4'-P energy: -25.623
bonds (distance) P-C4' energy: -28.770
flat angles C4'-P-C4' energy: -30.522
flat angles P-C4'-P energy: -22.387
tors. eta vs tors. theta energy: -32.822
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: 8
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -390.331118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.331118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.331118 (E_RNA)
where:
Base-Base interactions energy: -256.528
where: short stacking energy: -124.498
Base-Backbone interact. energy: -0.108
local terms energy: -133.695177
where:
bonds (distance) C4'-P energy: -22.987
bonds (distance) P-C4' energy: -32.232
flat angles C4'-P-C4' energy: -27.314
flat angles P-C4'-P energy: -20.644
tors. eta vs tors. theta energy: -30.519
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: 2
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -336.907377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.907377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.907377 (E_RNA)
where:
Base-Base interactions energy: -223.532
where: short stacking energy: -112.583
Base-Backbone interact. energy: -0.198
local terms energy: -113.177924
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -26.114
flat angles P-C4'-P energy: -16.855
tors. eta vs tors. theta energy: -25.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -234.362724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.362724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.362724 (E_RNA)
where:
Base-Base interactions energy: -131.389
where: short stacking energy: -71.461
Base-Backbone interact. energy: -0.050
local terms energy: -102.923396
where:
bonds (distance) C4'-P energy: -30.517
bonds (distance) P-C4' energy: -25.084
flat angles C4'-P-C4' energy: -24.832
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -13.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -183.173804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.173804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.173804 (E_RNA)
where:
Base-Base interactions energy: -91.045
where: short stacking energy: -55.891
Base-Backbone interact. energy: 0.083
local terms energy: -92.211665
where:
bonds (distance) C4'-P energy: -26.653
bonds (distance) P-C4' energy: -22.497
flat angles C4'-P-C4' energy: -26.020
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -3.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -155.356473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.356473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.356473 (E_RNA)
where:
Base-Base interactions energy: -74.036
where: short stacking energy: -50.803
Base-Backbone interact. energy: 0.758
local terms energy: -82.078093
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -23.155
flat angles C4'-P-C4' energy: -23.909
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -498.761518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.761518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.761518 (E_RNA)
where:
Base-Base interactions energy: -344.508
where: short stacking energy: -145.804
Base-Backbone interact. energy: -0.063
local terms energy: -154.191022
where:
bonds (distance) C4'-P energy: -26.437
bonds (distance) P-C4' energy: -27.433
flat angles C4'-P-C4' energy: -28.820
flat angles P-C4'-P energy: -26.371
tors. eta vs tors. theta energy: -45.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -478.450112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.450112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.450112 (E_RNA)
where:
Base-Base interactions energy: -333.791
where: short stacking energy: -149.509
Base-Backbone interact. energy: -0.126
local terms energy: -144.532814
where:
bonds (distance) C4'-P energy: -24.338
bonds (distance) P-C4' energy: -27.396
flat angles C4'-P-C4' energy: -32.041
flat angles P-C4'-P energy: -17.864
tors. eta vs tors. theta energy: -42.894
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: 3, replica: 10
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -464.185141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.185141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.185141 (E_RNA)
where:
Base-Base interactions energy: -317.921
where: short stacking energy: -139.356
Base-Backbone interact. energy: -1.413
local terms energy: -144.850933
where:
bonds (distance) C4'-P energy: -29.323
bonds (distance) P-C4' energy: -25.539
flat angles C4'-P-C4' energy: -33.837
flat angles P-C4'-P energy: -20.501
tors. eta vs tors. theta energy: -35.650
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: 1
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -459.658392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.658392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.658392 (E_RNA)
where:
Base-Base interactions energy: -329.350
where: short stacking energy: -138.976
Base-Backbone interact. energy: -0.999
local terms energy: -129.310036
where:
bonds (distance) C4'-P energy: -25.199
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -26.118
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -36.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -414.964063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.964063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.964063 (E_RNA)
where:
Base-Base interactions energy: -284.202
where: short stacking energy: -120.789
Base-Backbone interact. energy: -0.646
local terms energy: -130.116062
where:
bonds (distance) C4'-P energy: -20.899
bonds (distance) P-C4' energy: -30.394
flat angles C4'-P-C4' energy: -25.000
flat angles P-C4'-P energy: -19.952
tors. eta vs tors. theta energy: -33.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -376.814758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.814758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.814758 (E_RNA)
where:
Base-Base interactions energy: -243.982
where: short stacking energy: -112.907
Base-Backbone interact. energy: -0.316
local terms energy: -132.516744
where:
bonds (distance) C4'-P energy: -27.541
bonds (distance) P-C4' energy: -21.887
flat angles C4'-P-C4' energy: -31.035
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: -32.767
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: 2
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -319.356675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.356675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.356675 (E_RNA)
where:
Base-Base interactions energy: -209.562
where: short stacking energy: -106.294
Base-Backbone interact. energy: -1.117
local terms energy: -108.677987
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -25.873
flat angles C4'-P-C4' energy: -25.685
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -28.627
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: 4
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -232.844522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.844522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.844522 (E_RNA)
where:
Base-Base interactions energy: -133.556
where: short stacking energy: -75.441
Base-Backbone interact. energy: 1.101
local terms energy: -100.389480
where:
bonds (distance) C4'-P energy: -23.043
bonds (distance) P-C4' energy: -28.674
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -16.441
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: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -160.238960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.238960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.238960 (E_RNA)
where:
Base-Base interactions energy: -70.795
where: short stacking energy: -51.805
Base-Backbone interact. energy: 4.043
local terms energy: -93.487164
where:
bonds (distance) C4'-P energy: -20.967
bonds (distance) P-C4' energy: -25.368
flat angles C4'-P-C4' energy: -22.247
flat angles P-C4'-P energy: -16.557
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: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -144.249347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.249347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.249347 (E_RNA)
where:
Base-Base interactions energy: -66.137
where: short stacking energy: -43.464
Base-Backbone interact. energy: -0.864
local terms energy: -77.248217
where:
bonds (distance) C4'-P energy: -22.610
bonds (distance) P-C4' energy: -23.523
flat angles C4'-P-C4' energy: -24.389
flat angles P-C4'-P energy: -4.131
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: 6
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -505.986496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.986496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.986496 (E_RNA)
where:
Base-Base interactions energy: -351.720
where: short stacking energy: -146.843
Base-Backbone interact. energy: -0.138
local terms energy: -154.128462
where:
bonds (distance) C4'-P energy: -27.962
bonds (distance) P-C4' energy: -27.645
flat angles C4'-P-C4' energy: -30.435
flat angles P-C4'-P energy: -23.334
tors. eta vs tors. theta energy: -44.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -472.401003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.401003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.401003 (E_RNA)
where:
Base-Base interactions energy: -328.643
where: short stacking energy: -138.395
Base-Backbone interact. energy: -1.115
local terms energy: -142.643032
where:
bonds (distance) C4'-P energy: -27.455
bonds (distance) P-C4' energy: -27.402
flat angles C4'-P-C4' energy: -31.051
flat angles P-C4'-P energy: -21.876
tors. eta vs tors. theta energy: -34.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -478.884642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.884642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.884642 (E_RNA)
where:
Base-Base interactions energy: -322.231
where: short stacking energy: -142.651
Base-Backbone interact. energy: -0.842
local terms energy: -155.810888
where:
bonds (distance) C4'-P energy: -28.972
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -34.925
flat angles P-C4'-P energy: -24.873
tors. eta vs tors. theta energy: -44.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -463.646856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.646856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.646856 (E_RNA)
where:
Base-Base interactions energy: -324.279
where: short stacking energy: -127.613
Base-Backbone interact. energy: -0.676
local terms energy: -138.691551
where:
bonds (distance) C4'-P energy: -29.564
bonds (distance) P-C4' energy: -27.466
flat angles C4'-P-C4' energy: -30.691
flat angles P-C4'-P energy: -16.454
tors. eta vs tors. theta energy: -34.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -416.082599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.082599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.082599 (E_RNA)
where:
Base-Base interactions energy: -291.733
where: short stacking energy: -124.891
Base-Backbone interact. energy: -1.217
local terms energy: -123.132540
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -26.545
flat angles C4'-P-C4' energy: -30.832
flat angles P-C4'-P energy: -18.522
tors. eta vs tors. theta energy: -31.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -320.785196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.785196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.785196 (E_RNA)
where:
Base-Base interactions energy: -207.045
where: short stacking energy: -98.490
Base-Backbone interact. energy: 1.455
local terms energy: -115.195263
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -18.764
flat angles C4'-P-C4' energy: -27.313
flat angles P-C4'-P energy: -20.791
tors. eta vs tors. theta energy: -28.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -372.696555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.696555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.696555 (E_RNA)
where:
Base-Base interactions energy: -244.490
where: short stacking energy: -120.014
Base-Backbone interact. energy: -3.585
local terms energy: -124.621849
where:
bonds (distance) C4'-P energy: -21.863
bonds (distance) P-C4' energy: -25.408
flat angles C4'-P-C4' energy: -25.822
flat angles P-C4'-P energy: -16.415
tors. eta vs tors. theta energy: -35.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -268.392421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.392421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.392421 (E_RNA)
where:
Base-Base interactions energy: -159.458
where: short stacking energy: -77.070
Base-Backbone interact. energy: -0.482
local terms energy: -108.452272
where:
bonds (distance) C4'-P energy: -22.903
bonds (distance) P-C4' energy: -29.711
flat angles C4'-P-C4' energy: -24.666
flat angles P-C4'-P energy: -15.173
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -145.882995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.882995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.882995 (E_RNA)
where:
Base-Base interactions energy: -61.183
where: short stacking energy: -53.950
Base-Backbone interact. energy: -0.428
local terms energy: -84.272436
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -25.523
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -9.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -133.827413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.827413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.827413 (E_RNA)
where:
Base-Base interactions energy: -48.610
where: short stacking energy: -44.595
Base-Backbone interact. energy: 0.271
local terms energy: -85.488944
where:
bonds (distance) C4'-P energy: -20.444
bonds (distance) P-C4' energy: -29.430
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -16.858
tors. eta vs tors. theta energy: -1.026
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: 6
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -503.440893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.440893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.440893 (E_RNA)
where:
Base-Base interactions energy: -355.155
where: short stacking energy: -150.465
Base-Backbone interact. energy: -0.052
local terms energy: -148.234213
where:
bonds (distance) C4'-P energy: -25.374
bonds (distance) P-C4' energy: -29.371
flat angles C4'-P-C4' energy: -28.081
flat angles P-C4'-P energy: -21.644
tors. eta vs tors. theta energy: -43.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -464.523322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.523322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.523322 (E_RNA)
where:
Base-Base interactions energy: -322.071
where: short stacking energy: -141.567
Base-Backbone interact. energy: -1.266
local terms energy: -141.186420
where:
bonds (distance) C4'-P energy: -22.425
bonds (distance) P-C4' energy: -26.264
flat angles C4'-P-C4' energy: -30.847
flat angles P-C4'-P energy: -22.725
tors. eta vs tors. theta energy: -38.926
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: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -469.929186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.929186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.929186 (E_RNA)
where:
Base-Base interactions energy: -337.500
where: short stacking energy: -134.396
Base-Backbone interact. energy: -0.349
local terms energy: -132.080645
where:
bonds (distance) C4'-P energy: -25.881
bonds (distance) P-C4' energy: -26.872
flat angles C4'-P-C4' energy: -29.130
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -38.208
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: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -458.377464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.377464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.377464 (E_RNA)
where:
Base-Base interactions energy: -313.488
where: short stacking energy: -148.215
Base-Backbone interact. energy: -0.411
local terms energy: -144.477661
where:
bonds (distance) C4'-P energy: -28.507
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: -27.822
flat angles P-C4'-P energy: -18.182
tors. eta vs tors. theta energy: -47.194
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: 5, replica: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -337.981246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.981246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.981246 (E_RNA)
where:
Base-Base interactions energy: -228.803
where: short stacking energy: -94.155
Base-Backbone interact. energy: -0.369
local terms energy: -108.809578
where:
bonds (distance) C4'-P energy: -21.976
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -24.993
flat angles P-C4'-P energy: -16.995
tors. eta vs tors. theta energy: -23.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -404.731662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.731662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.731662 (E_RNA)
where:
Base-Base interactions energy: -290.457
where: short stacking energy: -122.530
Base-Backbone interact. energy: -0.843
local terms energy: -113.432078
where:
bonds (distance) C4'-P energy: -17.318
bonds (distance) P-C4' energy: -23.388
flat angles C4'-P-C4' energy: -25.262
flat angles P-C4'-P energy: -19.633
tors. eta vs tors. theta energy: -27.830
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: 7, replica: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -351.666864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.666864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.666864 (E_RNA)
where:
Base-Base interactions energy: -238.109
where: short stacking energy: -106.471
Base-Backbone interact. energy: -1.374
local terms energy: -112.183374
where:
bonds (distance) C4'-P energy: -33.105
bonds (distance) P-C4' energy: -23.735
flat angles C4'-P-C4' energy: -19.194
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -29.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -315.055052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.055052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.055052 (E_RNA)
where:
Base-Base interactions energy: -192.993
where: short stacking energy: -106.393
Base-Backbone interact. energy: -0.630
local terms energy: -121.431275
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -29.937
flat angles C4'-P-C4' energy: -26.045
flat angles P-C4'-P energy: -14.444
tors. eta vs tors. theta energy: -32.147
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: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -145.463492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.463492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.463492 (E_RNA)
where:
Base-Base interactions energy: -52.963
where: short stacking energy: -40.127
Base-Backbone interact. energy: -1.174
local terms energy: -91.326751
where:
bonds (distance) C4'-P energy: -22.129
bonds (distance) P-C4' energy: -33.664
flat angles C4'-P-C4' energy: -23.453
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: 0.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -150.401514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.401514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.401514 (E_RNA)
where:
Base-Base interactions energy: -65.883
where: short stacking energy: -42.663
Base-Backbone interact. energy: 0.723
local terms energy: -85.241796
where:
bonds (distance) C4'-P energy: -27.941
bonds (distance) P-C4' energy: -19.894
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -19.584
tors. eta vs tors. theta energy: 0.184
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: 6
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -500.747582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.747582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.747582 (E_RNA)
where:
Base-Base interactions energy: -349.099
where: short stacking energy: -142.424
Base-Backbone interact. energy: -0.190
local terms energy: -151.458651
where:
bonds (distance) C4'-P energy: -26.657
bonds (distance) P-C4' energy: -28.560
flat angles C4'-P-C4' energy: -31.968
flat angles P-C4'-P energy: -22.685
tors. eta vs tors. theta energy: -41.589
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: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -482.591605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.591605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.591605 (E_RNA)
where:
Base-Base interactions energy: -335.128
where: short stacking energy: -146.142
Base-Backbone interact. energy: -0.656
local terms energy: -146.807390
where:
bonds (distance) C4'-P energy: -27.808
bonds (distance) P-C4' energy: -24.362
flat angles C4'-P-C4' energy: -31.339
flat angles P-C4'-P energy: -22.353
tors. eta vs tors. theta energy: -40.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -469.279976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.279976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.279976 (E_RNA)
where:
Base-Base interactions energy: -323.758
where: short stacking energy: -128.256
Base-Backbone interact. energy: -1.404
local terms energy: -144.117838
where:
bonds (distance) C4'-P energy: -23.301
bonds (distance) P-C4' energy: -32.129
flat angles C4'-P-C4' energy: -33.229
flat angles P-C4'-P energy: -20.386
tors. eta vs tors. theta energy: -35.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -465.391042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.391042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.391042 (E_RNA)
where:
Base-Base interactions energy: -314.249
where: short stacking energy: -150.605
Base-Backbone interact. energy: -0.048
local terms energy: -151.094001
where:
bonds (distance) C4'-P energy: -25.891
bonds (distance) P-C4' energy: -25.338
flat angles C4'-P-C4' energy: -30.304
flat angles P-C4'-P energy: -23.293
tors. eta vs tors. theta energy: -46.268
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: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -354.762266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.762266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.762266 (E_RNA)
where:
Base-Base interactions energy: -232.338
where: short stacking energy: -119.249
Base-Backbone interact. energy: -0.365
local terms energy: -122.058696
where:
bonds (distance) C4'-P energy: -24.860
bonds (distance) P-C4' energy: -24.501
flat angles C4'-P-C4' energy: -28.543
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -32.701
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: 5
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -425.255764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.255764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.255764 (E_RNA)
where:
Base-Base interactions energy: -287.178
where: short stacking energy: -113.892
Base-Backbone interact. energy: -0.458
local terms energy: -137.619410
where:
bonds (distance) C4'-P energy: -26.820
bonds (distance) P-C4' energy: -26.015
flat angles C4'-P-C4' energy: -28.703
flat angles P-C4'-P energy: -23.359
tors. eta vs tors. theta energy: -32.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -352.133766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.133766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.133766 (E_RNA)
where:
Base-Base interactions energy: -238.488
where: short stacking energy: -114.550
Base-Backbone interact. energy: -1.622
local terms energy: -112.023975
where:
bonds (distance) C4'-P energy: -22.696
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -28.220
flat angles P-C4'-P energy: -14.837
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: 8, replica: 4
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -282.497444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.497444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.497444 (E_RNA)
where:
Base-Base interactions energy: -173.383
where: short stacking energy: -92.563
Base-Backbone interact. energy: -0.120
local terms energy: -108.994847
where:
bonds (distance) C4'-P energy: -17.052
bonds (distance) P-C4' energy: -24.292
flat angles C4'-P-C4' energy: -28.590
flat angles P-C4'-P energy: -18.677
tors. eta vs tors. theta energy: -20.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -148.235026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.235026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.235026 (E_RNA)
where:
Base-Base interactions energy: -67.782
where: short stacking energy: -49.609
Base-Backbone interact. energy: 1.947
local terms energy: -82.399583
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -28.116
flat angles C4'-P-C4' energy: -20.991
flat angles P-C4'-P energy: -21.625
tors. eta vs tors. theta energy: 0.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -138.554318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.554318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.554318 (E_RNA)
where:
Base-Base interactions energy: -41.348
where: short stacking energy: -33.386
Base-Backbone interact. energy: -0.485
local terms energy: -96.721919
where:
bonds (distance) C4'-P energy: -26.387
bonds (distance) P-C4' energy: -28.577
flat angles C4'-P-C4' energy: -28.956
flat angles P-C4'-P energy: -15.393
tors. eta vs tors. theta energy: 2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -497.161534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.161534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.161534 (E_RNA)
where:
Base-Base interactions energy: -342.670
where: short stacking energy: -150.371
Base-Backbone interact. energy: -0.893
local terms energy: -153.598504
where:
bonds (distance) C4'-P energy: -24.146
bonds (distance) P-C4' energy: -28.643
flat angles C4'-P-C4' energy: -34.224
flat angles P-C4'-P energy: -24.954
tors. eta vs tors. theta energy: -41.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -491.464363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.464363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.464363 (E_RNA)
where:
Base-Base interactions energy: -344.160
where: short stacking energy: -140.542
Base-Backbone interact. energy: -0.763
local terms energy: -146.541295
where:
bonds (distance) C4'-P energy: -29.125
bonds (distance) P-C4' energy: -33.287
flat angles C4'-P-C4' energy: -28.618
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: -39.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -452.499353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.499353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.499353 (E_RNA)
where:
Base-Base interactions energy: -323.136
where: short stacking energy: -135.362
Base-Backbone interact. energy: -0.341
local terms energy: -129.022912
where:
bonds (distance) C4'-P energy: -28.087
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -24.474
flat angles P-C4'-P energy: -20.514
tors. eta vs tors. theta energy: -34.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -458.056184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.056184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.056184 (E_RNA)
where:
Base-Base interactions energy: -313.258
where: short stacking energy: -149.504
Base-Backbone interact. energy: 0.468
local terms energy: -145.266551
where:
bonds (distance) C4'-P energy: -29.515
bonds (distance) P-C4' energy: -24.027
flat angles C4'-P-C4' energy: -29.342
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -45.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -428.786247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.786247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.786247 (E_RNA)
where:
Base-Base interactions energy: -288.473
where: short stacking energy: -120.052
Base-Backbone interact. energy: -1.264
local terms energy: -139.049536
where:
bonds (distance) C4'-P energy: -31.614
bonds (distance) P-C4' energy: -31.221
flat angles C4'-P-C4' energy: -22.955
flat angles P-C4'-P energy: -18.403
tors. eta vs tors. theta energy: -34.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -349.248913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.248913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.248913 (E_RNA)
where:
Base-Base interactions energy: -225.819
where: short stacking energy: -116.400
Base-Backbone interact. energy: -0.115
local terms energy: -123.315414
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -23.776
flat angles C4'-P-C4' energy: -32.059
flat angles P-C4'-P energy: -21.773
tors. eta vs tors. theta energy: -28.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -361.446084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.446084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.446084 (E_RNA)
where:
Base-Base interactions energy: -239.312
where: short stacking energy: -111.844
Base-Backbone interact. energy: -0.096
local terms energy: -122.038855
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -30.858
flat angles C4'-P-C4' energy: -25.962
flat angles P-C4'-P energy: -24.496
tors. eta vs tors. theta energy: -25.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -234.710839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.710839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.710839 (E_RNA)
where:
Base-Base interactions energy: -135.121
where: short stacking energy: -77.100
Base-Backbone interact. energy: -0.301
local terms energy: -99.289014
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -27.959
flat angles C4'-P-C4' energy: -25.565
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -20.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -155.406899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.406899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.406899 (E_RNA)
where:
Base-Base interactions energy: -74.296
where: short stacking energy: -55.261
Base-Backbone interact. energy: -0.603
local terms energy: -80.508308
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -29.497
flat angles C4'-P-C4' energy: -25.615
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -0.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -128.686947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.686947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.686947 (E_RNA)
where:
Base-Base interactions energy: -55.618
where: short stacking energy: -49.741
Base-Backbone interact. energy: 0.748
local terms energy: -73.817181
where:
bonds (distance) C4'-P energy: -25.019
bonds (distance) P-C4' energy: -22.209
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -14.982
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: 1, replica: 6
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -504.204010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.204010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.204010 (E_RNA)
where:
Base-Base interactions energy: -347.688
where: short stacking energy: -145.849
Base-Backbone interact. energy: -0.109
local terms energy: -156.406664
where:
bonds (distance) C4'-P energy: -28.666
bonds (distance) P-C4' energy: -27.912
flat angles C4'-P-C4' energy: -32.096
flat angles P-C4'-P energy: -22.942
tors. eta vs tors. theta energy: -44.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -483.782866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.782866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.782866 (E_RNA)
where:
Base-Base interactions energy: -344.950
where: short stacking energy: -140.488
Base-Backbone interact. energy: 2.110
local terms energy: -140.942877
where:
bonds (distance) C4'-P energy: -25.837
bonds (distance) P-C4' energy: -23.165
flat angles C4'-P-C4' energy: -32.518
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -41.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -455.281689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.281689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.281689 (E_RNA)
where:
Base-Base interactions energy: -322.577
where: short stacking energy: -128.351
Base-Backbone interact. energy: -0.764
local terms energy: -131.941308
where:
bonds (distance) C4'-P energy: -23.945
bonds (distance) P-C4' energy: -21.428
flat angles C4'-P-C4' energy: -30.703
flat angles P-C4'-P energy: -22.232
tors. eta vs tors. theta energy: -33.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -458.302629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.302629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.302629 (E_RNA)
where:
Base-Base interactions energy: -320.110
where: short stacking energy: -143.811
Base-Backbone interact. energy: -0.034
local terms energy: -138.158174
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -26.641
flat angles C4'-P-C4' energy: -25.944
flat angles P-C4'-P energy: -24.753
tors. eta vs tors. theta energy: -44.324
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: 5
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -434.356785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.356785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.356785 (E_RNA)
where:
Base-Base interactions energy: -287.808
where: short stacking energy: -119.403
Base-Backbone interact. energy: 0.016
local terms energy: -146.565094
where:
bonds (distance) C4'-P energy: -28.901
bonds (distance) P-C4' energy: -27.110
flat angles C4'-P-C4' energy: -34.225
flat angles P-C4'-P energy: -22.916
tors. eta vs tors. theta energy: -33.413
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: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -374.796230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.796230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.796230 (E_RNA)
where:
Base-Base interactions energy: -244.676
where: short stacking energy: -109.551
Base-Backbone interact. energy: -1.662
local terms energy: -128.458433
where:
bonds (distance) C4'-P energy: -20.509
bonds (distance) P-C4' energy: -31.701
flat angles C4'-P-C4' energy: -27.283
flat angles P-C4'-P energy: -21.719
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: 7, replica: 2
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -316.214429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.214429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.214429 (E_RNA)
where:
Base-Base interactions energy: -202.521
where: short stacking energy: -78.644
Base-Backbone interact. energy: 0.630
local terms energy: -114.323028
where:
bonds (distance) C4'-P energy: -20.957
bonds (distance) P-C4' energy: -31.923
flat angles C4'-P-C4' energy: -25.139
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -23.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -234.403031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.403031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.403031 (E_RNA)
where:
Base-Base interactions energy: -130.838
where: short stacking energy: -70.661
Base-Backbone interact. energy: -0.404
local terms energy: -103.161138
where:
bonds (distance) C4'-P energy: -23.075
bonds (distance) P-C4' energy: -25.351
flat angles C4'-P-C4' energy: -27.328
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: -8.781
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: 9, replica: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -142.055821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.055821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.055821 (E_RNA)
where:
Base-Base interactions energy: -56.223
where: short stacking energy: -35.287
Base-Backbone interact. energy: -0.504
local terms energy: -85.328803
where:
bonds (distance) C4'-P energy: -27.636
bonds (distance) P-C4' energy: -27.732
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -15.815
tors. eta vs tors. theta energy: 0.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -136.301766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.301766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.301766 (E_RNA)
where:
Base-Base interactions energy: -50.081
where: short stacking energy: -50.081
Base-Backbone interact. energy: -0.084
local terms energy: -86.137354
where:
bonds (distance) C4'-P energy: -20.102
bonds (distance) P-C4' energy: -24.502
flat angles C4'-P-C4' energy: -21.221
flat angles P-C4'-P energy: -16.382
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: 6
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -505.767404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.767404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.767404 (E_RNA)
where:
Base-Base interactions energy: -348.358
where: short stacking energy: -139.585
Base-Backbone interact. energy: -0.285
local terms energy: -157.124297
where:
bonds (distance) C4'-P energy: -27.941
bonds (distance) P-C4' energy: -29.591
flat angles C4'-P-C4' energy: -33.940
flat angles P-C4'-P energy: -25.926
tors. eta vs tors. theta energy: -39.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -490.268112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.268112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.268112 (E_RNA)
where:
Base-Base interactions energy: -330.614
where: short stacking energy: -130.004
Base-Backbone interact. energy: -1.633
local terms energy: -158.021073
where:
bonds (distance) C4'-P energy: -31.786
bonds (distance) P-C4' energy: -32.294
flat angles C4'-P-C4' energy: -33.089
flat angles P-C4'-P energy: -20.064
tors. eta vs tors. theta energy: -40.788
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: 90
Temperature: 1.000000
Total energy: -472.919121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.919121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.919121 (E_RNA)
where:
Base-Base interactions energy: -320.972
where: short stacking energy: -152.827
Base-Backbone interact. energy: -0.262
local terms energy: -151.684839
where:
bonds (distance) C4'-P energy: -26.789
bonds (distance) P-C4' energy: -31.252
flat angles C4'-P-C4' energy: -28.519
flat angles P-C4'-P energy: -17.696
tors. eta vs tors. theta energy: -47.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -442.792501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.792501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.792501 (E_RNA)
where:
Base-Base interactions energy: -313.356
where: short stacking energy: -124.175
Base-Backbone interact. energy: -0.591
local terms energy: -128.845781
where:
bonds (distance) C4'-P energy: -25.028
bonds (distance) P-C4' energy: -29.375
flat angles C4'-P-C4' energy: -28.449
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -31.845
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: 90
Temperature: 1.100000
Total energy: -444.717330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.717330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.717330 (E_RNA)
where:
Base-Base interactions energy: -296.790
where: short stacking energy: -129.409
Base-Backbone interact. energy: -0.866
local terms energy: -147.061276
where:
bonds (distance) C4'-P energy: -30.632
bonds (distance) P-C4' energy: -26.526
flat angles C4'-P-C4' energy: -29.399
flat angles P-C4'-P energy: -23.519
tors. eta vs tors. theta energy: -36.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -387.876267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.876267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.876267 (E_RNA)
where:
Base-Base interactions energy: -256.962
where: short stacking energy: -125.477
Base-Backbone interact. energy: -0.074
local terms energy: -130.839748
where:
bonds (distance) C4'-P energy: -21.859
bonds (distance) P-C4' energy: -25.491
flat angles C4'-P-C4' energy: -33.901
flat angles P-C4'-P energy: -19.481
tors. eta vs tors. theta energy: -30.108
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: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -337.816872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.816872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.816872 (E_RNA)
where:
Base-Base interactions energy: -230.991
where: short stacking energy: -99.905
Base-Backbone interact. energy: -0.271
local terms energy: -106.555713
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -29.372
flat angles P-C4'-P energy: -16.728
tors. eta vs tors. theta energy: -22.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -224.502588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.502588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.502588 (E_RNA)
where:
Base-Base interactions energy: -121.421
where: short stacking energy: -70.085
Base-Backbone interact. energy: -0.258
local terms energy: -102.824121
where:
bonds (distance) C4'-P energy: -32.735
bonds (distance) P-C4' energy: -30.721
flat angles C4'-P-C4' energy: -24.325
flat angles P-C4'-P energy: -2.886
tors. eta vs tors. theta energy: -12.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -138.689315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.689315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.689315 (E_RNA)
where:
Base-Base interactions energy: -59.167
where: short stacking energy: -59.167
Base-Backbone interact. energy: -0.302
local terms energy: -79.220359
where:
bonds (distance) C4'-P energy: -23.059
bonds (distance) P-C4' energy: -20.613
flat angles C4'-P-C4' energy: -21.547
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -4.695
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: 7
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -127.056309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.056309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.056309 (E_RNA)
where:
Base-Base interactions energy: -46.328
where: short stacking energy: -45.122
Base-Backbone interact. energy: -0.723
local terms energy: -80.005468
where:
bonds (distance) C4'-P energy: -26.392
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -5.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -512.985588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.985588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.985588 (E_RNA)
where:
Base-Base interactions energy: -353.551
where: short stacking energy: -149.361
Base-Backbone interact. energy: -0.896
local terms energy: -158.538941
where:
bonds (distance) C4'-P energy: -26.545
bonds (distance) P-C4' energy: -25.833
flat angles C4'-P-C4' energy: -35.212
flat angles P-C4'-P energy: -23.984
tors. eta vs tors. theta energy: -46.965
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: 3
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -485.885118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.885118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.885118 (E_RNA)
where:
Base-Base interactions energy: -332.772
where: short stacking energy: -146.900
Base-Backbone interact. energy: -0.588
local terms energy: -152.524774
where:
bonds (distance) C4'-P energy: -27.066
bonds (distance) P-C4' energy: -28.268
flat angles C4'-P-C4' energy: -29.648
flat angles P-C4'-P energy: -25.623
tors. eta vs tors. theta energy: -41.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -472.493477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.493477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.493477 (E_RNA)
where:
Base-Base interactions energy: -327.010
where: short stacking energy: -139.067
Base-Backbone interact. energy: -0.763
local terms energy: -144.720592
where:
bonds (distance) C4'-P energy: -27.784
bonds (distance) P-C4' energy: -30.839
flat angles C4'-P-C4' energy: -31.538
flat angles P-C4'-P energy: -18.930
tors. eta vs tors. theta energy: -35.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -445.998140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.998140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.998140 (E_RNA)
where:
Base-Base interactions energy: -298.556
where: short stacking energy: -134.196
Base-Backbone interact. energy: -0.234
local terms energy: -147.208094
where:
bonds (distance) C4'-P energy: -27.022
bonds (distance) P-C4' energy: -28.942
flat angles C4'-P-C4' energy: -28.238
flat angles P-C4'-P energy: -23.600
tors. eta vs tors. theta energy: -39.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -444.686659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.686659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.686659 (E_RNA)
where:
Base-Base interactions energy: -308.672
where: short stacking energy: -125.853
Base-Backbone interact. energy: -0.266
local terms energy: -135.748956
where:
bonds (distance) C4'-P energy: -23.921
bonds (distance) P-C4' energy: -29.293
flat angles C4'-P-C4' energy: -27.698
flat angles P-C4'-P energy: -21.862
tors. eta vs tors. theta energy: -32.974
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: 6, replica: 2
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -359.558690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.558690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.558690 (E_RNA)
where:
Base-Base interactions energy: -241.308
where: short stacking energy: -101.622
Base-Backbone interact. energy: -0.476
local terms energy: -117.774314
where:
bonds (distance) C4'-P energy: -24.978
bonds (distance) P-C4' energy: -22.339
flat angles C4'-P-C4' energy: -22.619
flat angles P-C4'-P energy: -20.887
tors. eta vs tors. theta energy: -26.950
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: 8
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -362.451760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.451760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.451760 (E_RNA)
where:
Base-Base interactions energy: -226.395
where: short stacking energy: -99.770
Base-Backbone interact. energy: -1.397
local terms energy: -134.659980
where:
bonds (distance) C4'-P energy: -25.182
bonds (distance) P-C4' energy: -28.818
flat angles C4'-P-C4' energy: -32.116
flat angles P-C4'-P energy: -20.345
tors. eta vs tors. theta energy: -28.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -152.609479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.609479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.609479 (E_RNA)
where:
Base-Base interactions energy: -68.943
where: short stacking energy: -67.753
Base-Backbone interact. energy: 3.918
local terms energy: -87.584200
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -29.205
flat angles C4'-P-C4' energy: -25.863
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -7.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -195.400548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.400548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.400548 (E_RNA)
where:
Base-Base interactions energy: -109.092
where: short stacking energy: -59.194
Base-Backbone interact. energy: -0.360
local terms energy: -85.948354
where:
bonds (distance) C4'-P energy: -20.245
bonds (distance) P-C4' energy: -28.844
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -8.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -154.853931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.853931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.853931 (E_RNA)
where:
Base-Base interactions energy: -57.243
where: short stacking energy: -46.680
Base-Backbone interact. energy: -0.205
local terms energy: -97.406370
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -27.064
flat angles C4'-P-C4' energy: -22.596
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -12.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -508.191856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.191856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.191856 (E_RNA)
where:
Base-Base interactions energy: -347.790
where: short stacking energy: -149.268
Base-Backbone interact. energy: 1.140
local terms energy: -161.541291
where:
bonds (distance) C4'-P energy: -30.065
bonds (distance) P-C4' energy: -28.302
flat angles C4'-P-C4' energy: -30.981
flat angles P-C4'-P energy: -25.828
tors. eta vs tors. theta energy: -46.366
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: 3
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -486.493978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.493978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.493978 (E_RNA)
where:
Base-Base interactions energy: -330.231
where: short stacking energy: -154.048
Base-Backbone interact. energy: -0.591
local terms energy: -155.671656
where:
bonds (distance) C4'-P energy: -30.765
bonds (distance) P-C4' energy: -26.362
flat angles C4'-P-C4' energy: -28.036
flat angles P-C4'-P energy: -21.233
tors. eta vs tors. theta energy: -49.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -458.436174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.436174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.436174 (E_RNA)
where:
Base-Base interactions energy: -320.234
where: short stacking energy: -127.033
Base-Backbone interact. energy: -0.411
local terms energy: -137.791528
where:
bonds (distance) C4'-P energy: -25.031
bonds (distance) P-C4' energy: -28.333
flat angles C4'-P-C4' energy: -28.615
flat angles P-C4'-P energy: -20.652
tors. eta vs tors. theta energy: -35.160
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: 5
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -449.190665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.190665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.190665 (E_RNA)
where:
Base-Base interactions energy: -305.089
where: short stacking energy: -122.359
Base-Backbone interact. energy: -0.239
local terms energy: -143.862373
where:
bonds (distance) C4'-P energy: -27.494
bonds (distance) P-C4' energy: -31.073
flat angles C4'-P-C4' energy: -27.910
flat angles P-C4'-P energy: -17.733
tors. eta vs tors. theta energy: -39.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -418.205206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.205206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.205206 (E_RNA)
where:
Base-Base interactions energy: -289.938
where: short stacking energy: -123.581
Base-Backbone interact. energy: -0.098
local terms energy: -128.169546
where:
bonds (distance) C4'-P energy: -30.825
bonds (distance) P-C4' energy: -23.983
flat angles C4'-P-C4' energy: -24.509
flat angles P-C4'-P energy: -16.500
tors. eta vs tors. theta energy: -32.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -352.340350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.340350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.340350 (E_RNA)
where:
Base-Base interactions energy: -223.511
where: short stacking energy: -95.506
Base-Backbone interact. energy: -0.986
local terms energy: -127.843378
where:
bonds (distance) C4'-P energy: -22.557
bonds (distance) P-C4' energy: -31.581
flat angles C4'-P-C4' energy: -29.316
flat angles P-C4'-P energy: -21.997
tors. eta vs tors. theta energy: -22.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -355.569753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.569753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.569753 (E_RNA)
where:
Base-Base interactions energy: -230.163
where: short stacking energy: -112.330
Base-Backbone interact. energy: -0.118
local terms energy: -125.288535
where:
bonds (distance) C4'-P energy: -28.263
bonds (distance) P-C4' energy: -26.623
flat angles C4'-P-C4' energy: -29.979
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -27.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -151.324862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.324862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.324862 (E_RNA)
where:
Base-Base interactions energy: -72.894
where: short stacking energy: -48.145
Base-Backbone interact. energy: 0.853
local terms energy: -79.284010
where:
bonds (distance) C4'-P energy: -24.893
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -21.914
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: 1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -186.744837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.744837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.744837 (E_RNA)
where:
Base-Base interactions energy: -94.088
where: short stacking energy: -54.761
Base-Backbone interact. energy: 0.167
local terms energy: -92.823913
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -18.874
flat angles C4'-P-C4' energy: -26.679
flat angles P-C4'-P energy: -14.740
tors. eta vs tors. theta energy: -9.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -197.024870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.024870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.024870 (E_RNA)
where:
Base-Base interactions energy: -115.854
where: short stacking energy: -49.063
Base-Backbone interact. energy: -0.370
local terms energy: -80.801757
where:
bonds (distance) C4'-P energy: -28.272
bonds (distance) P-C4' energy: -19.497
flat angles C4'-P-C4' energy: -20.146
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -0.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -503.933970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.933970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.933970 (E_RNA)
where:
Base-Base interactions energy: -346.799
where: short stacking energy: -145.368
Base-Backbone interact. energy: 0.101
local terms energy: -157.236004
where:
bonds (distance) C4'-P energy: -29.463
bonds (distance) P-C4' energy: -29.892
flat angles C4'-P-C4' energy: -29.582
flat angles P-C4'-P energy: -23.184
tors. eta vs tors. theta energy: -45.114
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: 2, replica: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -481.700100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.700100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.700100 (E_RNA)
where:
Base-Base interactions energy: -325.228
where: short stacking energy: -147.201
Base-Backbone interact. energy: -0.826
local terms energy: -155.646915
where:
bonds (distance) C4'-P energy: -28.881
bonds (distance) P-C4' energy: -33.825
flat angles C4'-P-C4' energy: -30.043
flat angles P-C4'-P energy: -18.145
tors. eta vs tors. theta energy: -44.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -478.141557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.141557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.141557 (E_RNA)
where:
Base-Base interactions energy: -330.498
where: short stacking energy: -141.561
Base-Backbone interact. energy: -0.344
local terms energy: -147.299140
where:
bonds (distance) C4'-P energy: -24.500
bonds (distance) P-C4' energy: -26.644
flat angles C4'-P-C4' energy: -32.434
flat angles P-C4'-P energy: -21.017
tors. eta vs tors. theta energy: -42.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -449.248499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.248499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.248499 (E_RNA)
where:
Base-Base interactions energy: -307.649
where: short stacking energy: -122.244
Base-Backbone interact. energy: -1.203
local terms energy: -140.396709
where:
bonds (distance) C4'-P energy: -24.495
bonds (distance) P-C4' energy: -30.521
flat angles C4'-P-C4' energy: -25.461
flat angles P-C4'-P energy: -23.379
tors. eta vs tors. theta energy: -36.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -431.557608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.557608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.557608 (E_RNA)
where:
Base-Base interactions energy: -309.812
where: short stacking energy: -124.028
Base-Backbone interact. energy: -0.149
local terms energy: -121.596640
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -23.819
flat angles C4'-P-C4' energy: -23.433
flat angles P-C4'-P energy: -16.862
tors. eta vs tors. theta energy: -36.561
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: 93
Temperature: 1.150000
Total energy: -382.565090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.565090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.565090 (E_RNA)
where:
Base-Base interactions energy: -265.183
where: short stacking energy: -123.904
Base-Backbone interact. energy: -0.179
local terms energy: -117.203242
where:
bonds (distance) C4'-P energy: -21.825
bonds (distance) P-C4' energy: -20.280
flat angles C4'-P-C4' energy: -21.711
flat angles P-C4'-P energy: -23.291
tors. eta vs tors. theta energy: -30.095
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: 2
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -313.155969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.155969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.155969 (E_RNA)
where:
Base-Base interactions energy: -204.281
where: short stacking energy: -92.434
Base-Backbone interact. energy: -2.255
local terms energy: -106.620221
where:
bonds (distance) C4'-P energy: -28.008
bonds (distance) P-C4' energy: -24.551
flat angles C4'-P-C4' energy: -24.189
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -19.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -195.962146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.962146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.962146 (E_RNA)
where:
Base-Base interactions energy: -92.381
where: short stacking energy: -59.180
Base-Backbone interact. energy: -0.719
local terms energy: -102.861434
where:
bonds (distance) C4'-P energy: -25.230
bonds (distance) P-C4' energy: -33.679
flat angles C4'-P-C4' energy: -22.808
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -7.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -147.250677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.250677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.250677 (E_RNA)
where:
Base-Base interactions energy: -51.066
where: short stacking energy: -32.553
Base-Backbone interact. energy: -0.570
local terms energy: -95.615448
where:
bonds (distance) C4'-P energy: -32.829
bonds (distance) P-C4' energy: -21.365
flat angles C4'-P-C4' energy: -25.561
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -1.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -210.729210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.729210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.729210 (E_RNA)
where:
Base-Base interactions energy: -127.146
where: short stacking energy: -52.504
Base-Backbone interact. energy: -1.278
local terms energy: -82.304398
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -28.004
flat angles C4'-P-C4' energy: -22.190
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -504.325147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.325147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.325147 (E_RNA)
where:
Base-Base interactions energy: -351.121
where: short stacking energy: -152.681
Base-Backbone interact. energy: -0.770
local terms energy: -152.433508
where:
bonds (distance) C4'-P energy: -24.848
bonds (distance) P-C4' energy: -26.741
flat angles C4'-P-C4' energy: -32.882
flat angles P-C4'-P energy: -21.502
tors. eta vs tors. theta energy: -46.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -463.419442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.419442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.419442 (E_RNA)
where:
Base-Base interactions energy: -311.307
where: short stacking energy: -146.340
Base-Backbone interact. energy: -0.898
local terms energy: -151.214998
where:
bonds (distance) C4'-P energy: -30.412
bonds (distance) P-C4' energy: -23.865
flat angles C4'-P-C4' energy: -35.377
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: -43.692
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: 1
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -467.275364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.275364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.275364 (E_RNA)
where:
Base-Base interactions energy: -328.807
where: short stacking energy: -134.277
Base-Backbone interact. energy: -1.056
local terms energy: -137.412673
where:
bonds (distance) C4'-P energy: -25.689
bonds (distance) P-C4' energy: -22.734
flat angles C4'-P-C4' energy: -36.086
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -37.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -460.332127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.332127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.332127 (E_RNA)
where:
Base-Base interactions energy: -324.375
where: short stacking energy: -135.854
Base-Backbone interact. energy: -0.051
local terms energy: -135.905652
where:
bonds (distance) C4'-P energy: -22.033
bonds (distance) P-C4' energy: -25.568
flat angles C4'-P-C4' energy: -29.423
flat angles P-C4'-P energy: -19.837
tors. eta vs tors. theta energy: -39.045
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: 5, replica: 8
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -381.292999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.292999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.292999 (E_RNA)
where:
Base-Base interactions energy: -250.909
where: short stacking energy: -123.828
Base-Backbone interact. energy: -0.934
local terms energy: -129.450414
where:
bonds (distance) C4'-P energy: -23.786
bonds (distance) P-C4' energy: -26.250
flat angles C4'-P-C4' energy: -27.032
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: -35.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -427.993609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.993609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.993609 (E_RNA)
where:
Base-Base interactions energy: -305.499
where: short stacking energy: -127.526
Base-Backbone interact. energy: -0.034
local terms energy: -122.460613
where:
bonds (distance) C4'-P energy: -26.473
bonds (distance) P-C4' energy: -25.747
flat angles C4'-P-C4' energy: -32.495
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -27.338
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: 2
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -316.498505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.498505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.498505 (E_RNA)
where:
Base-Base interactions energy: -203.450
where: short stacking energy: -86.740
Base-Backbone interact. energy: 0.598
local terms energy: -113.646205
where:
bonds (distance) C4'-P energy: -18.329
bonds (distance) P-C4' energy: -26.578
flat angles C4'-P-C4' energy: -30.870
flat angles P-C4'-P energy: -21.934
tors. eta vs tors. theta energy: -15.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -179.330967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.330967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.330967 (E_RNA)
where:
Base-Base interactions energy: -84.962
where: short stacking energy: -52.336
Base-Backbone interact. energy: -1.392
local terms energy: -92.976646
where:
bonds (distance) C4'-P energy: -22.494
bonds (distance) P-C4' energy: -23.923
flat angles C4'-P-C4' energy: -29.303
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -8.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -239.933045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.933045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.933045 (E_RNA)
where:
Base-Base interactions energy: -151.430
where: short stacking energy: -74.661
Base-Backbone interact. energy: 0.229
local terms energy: -88.731418
where:
bonds (distance) C4'-P energy: -23.855
bonds (distance) P-C4' energy: -27.762
flat angles C4'-P-C4' energy: -21.503
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -6.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -125.427136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.427136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.427136 (E_RNA)
where:
Base-Base interactions energy: -39.989
where: short stacking energy: -32.730
Base-Backbone interact. energy: 0.007
local terms energy: -85.444522
where:
bonds (distance) C4'-P energy: -21.372
bonds (distance) P-C4' energy: -30.204
flat angles C4'-P-C4' energy: -29.977
flat angles P-C4'-P energy: -12.027
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: 1, replica: 6
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -502.753938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.753938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.753938 (E_RNA)
where:
Base-Base interactions energy: -357.627
where: short stacking energy: -151.887
Base-Backbone interact. energy: -0.026
local terms energy: -145.101018
where:
bonds (distance) C4'-P energy: -30.349
bonds (distance) P-C4' energy: -26.058
flat angles C4'-P-C4' energy: -28.583
flat angles P-C4'-P energy: -22.985
tors. eta vs tors. theta energy: -37.126
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: 2, replica: 1
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -478.999963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.999963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.999963 (E_RNA)
where:
Base-Base interactions energy: -333.758
where: short stacking energy: -131.693
Base-Backbone interact. energy: -0.498
local terms energy: -144.743560
where:
bonds (distance) C4'-P energy: -30.492
bonds (distance) P-C4' energy: -27.604
flat angles C4'-P-C4' energy: -29.246
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -41.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -457.287514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.287514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.287514 (E_RNA)
where:
Base-Base interactions energy: -316.636
where: short stacking energy: -137.615
Base-Backbone interact. energy: -0.421
local terms energy: -140.230359
where:
bonds (distance) C4'-P energy: -28.760
bonds (distance) P-C4' energy: -25.000
flat angles C4'-P-C4' energy: -26.686
flat angles P-C4'-P energy: -19.377
tors. eta vs tors. theta energy: -40.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -444.053596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.053596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.053596 (E_RNA)
where:
Base-Base interactions energy: -312.153
where: short stacking energy: -123.276
Base-Backbone interact. energy: -0.009
local terms energy: -131.891847
where:
bonds (distance) C4'-P energy: -24.964
bonds (distance) P-C4' energy: -31.292
flat angles C4'-P-C4' energy: -24.111
flat angles P-C4'-P energy: -17.509
tors. eta vs tors. theta energy: -34.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -413.102497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.102497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.102497 (E_RNA)
where:
Base-Base interactions energy: -278.352
where: short stacking energy: -120.746
Base-Backbone interact. energy: -0.861
local terms energy: -133.889625
where:
bonds (distance) C4'-P energy: -23.643
bonds (distance) P-C4' energy: -26.095
flat angles C4'-P-C4' energy: -31.065
flat angles P-C4'-P energy: -21.055
tors. eta vs tors. theta energy: -32.033
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: 6, replica: 10
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -422.006593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.006593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.006593 (E_RNA)
where:
Base-Base interactions energy: -283.044
where: short stacking energy: -133.543
Base-Backbone interact. energy: -0.257
local terms energy: -138.705823
where:
bonds (distance) C4'-P energy: -26.432
bonds (distance) P-C4' energy: -27.634
flat angles C4'-P-C4' energy: -30.566
flat angles P-C4'-P energy: -16.628
tors. eta vs tors. theta energy: -37.446
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: 7, replica: 2
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -320.765613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.765613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.765613 (E_RNA)
where:
Base-Base interactions energy: -220.590
where: short stacking energy: -96.932
Base-Backbone interact. energy: -0.511
local terms energy: -99.663801
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -24.937
flat angles C4'-P-C4' energy: -26.787
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -21.417
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: 4
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -239.107809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.107809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.107809 (E_RNA)
where:
Base-Base interactions energy: -149.994
where: short stacking energy: -85.204
Base-Backbone interact. energy: -1.390
local terms energy: -87.724203
where:
bonds (distance) C4'-P energy: -25.027
bonds (distance) P-C4' energy: -26.275
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -12.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -189.182680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.182680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.182680 (E_RNA)
where:
Base-Base interactions energy: -90.230
where: short stacking energy: -55.935
Base-Backbone interact. energy: -0.361
local terms energy: -98.591619
where:
bonds (distance) C4'-P energy: -24.563
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -23.165
flat angles P-C4'-P energy: -20.214
tors. eta vs tors. theta energy: -7.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -128.426722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.426722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.426722 (E_RNA)
where:
Base-Base interactions energy: -49.586
where: short stacking energy: -45.021
Base-Backbone interact. energy: -0.601
local terms energy: -78.238860
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -20.625
flat angles C4'-P-C4' energy: -20.782
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -511.227970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.227970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.227970 (E_RNA)
where:
Base-Base interactions energy: -362.142
where: short stacking energy: -150.682
Base-Backbone interact. energy: 1.073
local terms energy: -150.159167
where:
bonds (distance) C4'-P energy: -28.495
bonds (distance) P-C4' energy: -30.384
flat angles C4'-P-C4' energy: -32.144
flat angles P-C4'-P energy: -19.082
tors. eta vs tors. theta energy: -40.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -481.958148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.958148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.958148 (E_RNA)
where:
Base-Base interactions energy: -344.490
where: short stacking energy: -140.606
Base-Backbone interact. energy: 0.969
local terms energy: -138.436495
where:
bonds (distance) C4'-P energy: -20.992
bonds (distance) P-C4' energy: -26.189
flat angles C4'-P-C4' energy: -29.816
flat angles P-C4'-P energy: -22.568
tors. eta vs tors. theta energy: -38.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -467.457264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.457264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.457264 (E_RNA)
where:
Base-Base interactions energy: -324.373
where: short stacking energy: -137.771
Base-Backbone interact. energy: -0.371
local terms energy: -142.713532
where:
bonds (distance) C4'-P energy: -24.848
bonds (distance) P-C4' energy: -26.825
flat angles C4'-P-C4' energy: -32.417
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: -40.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -450.346412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.346412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.346412 (E_RNA)
where:
Base-Base interactions energy: -306.620
where: short stacking energy: -138.227
Base-Backbone interact. energy: -0.863
local terms energy: -142.863950
where:
bonds (distance) C4'-P energy: -29.169
bonds (distance) P-C4' energy: -29.369
flat angles C4'-P-C4' energy: -31.734
flat angles P-C4'-P energy: -21.723
tors. eta vs tors. theta energy: -30.869
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: 8
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -396.276181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.276181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.276181 (E_RNA)
where:
Base-Base interactions energy: -262.260
where: short stacking energy: -120.417
Base-Backbone interact. energy: -0.861
local terms energy: -133.155030
where:
bonds (distance) C4'-P energy: -30.947
bonds (distance) P-C4' energy: -28.935
flat angles C4'-P-C4' energy: -25.126
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -33.549
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: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -439.805365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.805365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.805365 (E_RNA)
where:
Base-Base interactions energy: -312.973
where: short stacking energy: -126.627
Base-Backbone interact. energy: -0.421
local terms energy: -126.411538
where:
bonds (distance) C4'-P energy: -29.854
bonds (distance) P-C4' energy: -27.027
flat angles C4'-P-C4' energy: -25.529
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -30.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -317.247874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.247874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.247874 (E_RNA)
where:
Base-Base interactions energy: -215.550
where: short stacking energy: -102.195
Base-Backbone interact. energy: -0.221
local terms energy: -101.476940
where:
bonds (distance) C4'-P energy: -29.414
bonds (distance) P-C4' energy: -25.980
flat angles C4'-P-C4' energy: -28.539
flat angles P-C4'-P energy: -3.127
tors. eta vs tors. theta energy: -14.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -231.696195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.696195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.696195 (E_RNA)
where:
Base-Base interactions energy: -139.275
where: short stacking energy: -72.289
Base-Backbone interact. energy: -1.440
local terms energy: -90.981025
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -27.673
flat angles C4'-P-C4' energy: -22.729
flat angles P-C4'-P energy: -15.757
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: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -166.880632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.880632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.880632 (E_RNA)
where:
Base-Base interactions energy: -96.888
where: short stacking energy: -54.994
Base-Backbone interact. energy: 1.049
local terms energy: -71.041520
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -23.113
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -7.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -136.720393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.720393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.720393 (E_RNA)
where:
Base-Base interactions energy: -56.020
where: short stacking energy: -46.783
Base-Backbone interact. energy: -0.362
local terms energy: -80.338712
where:
bonds (distance) C4'-P energy: -27.275
bonds (distance) P-C4' energy: -23.989
flat angles C4'-P-C4' energy: -20.118
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -1.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -505.330151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.330151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.330151 (E_RNA)
where:
Base-Base interactions energy: -351.449
where: short stacking energy: -146.364
Base-Backbone interact. energy: -0.547
local terms energy: -153.334865
where:
bonds (distance) C4'-P energy: -32.820
bonds (distance) P-C4' energy: -23.347
flat angles C4'-P-C4' energy: -31.681
flat angles P-C4'-P energy: -19.953
tors. eta vs tors. theta energy: -45.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -467.251406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.251406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.251406 (E_RNA)
where:
Base-Base interactions energy: -318.138
where: short stacking energy: -147.107
Base-Backbone interact. energy: -0.009
local terms energy: -149.103925
where:
bonds (distance) C4'-P energy: -30.458
bonds (distance) P-C4' energy: -25.581
flat angles C4'-P-C4' energy: -30.849
flat angles P-C4'-P energy: -17.967
tors. eta vs tors. theta energy: -44.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -479.916754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.916754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.916754 (E_RNA)
where:
Base-Base interactions energy: -339.239
where: short stacking energy: -138.711
Base-Backbone interact. energy: -0.900
local terms energy: -139.777542
where:
bonds (distance) C4'-P energy: -23.571
bonds (distance) P-C4' energy: -28.943
flat angles C4'-P-C4' energy: -27.166
flat angles P-C4'-P energy: -23.320
tors. eta vs tors. theta energy: -36.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -455.910070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.910070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.910070 (E_RNA)
where:
Base-Base interactions energy: -311.720
where: short stacking energy: -128.263
Base-Backbone interact. energy: -0.728
local terms energy: -143.461854
where:
bonds (distance) C4'-P energy: -27.382
bonds (distance) P-C4' energy: -28.648
flat angles C4'-P-C4' energy: -29.812
flat angles P-C4'-P energy: -20.950
tors. eta vs tors. theta energy: -36.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -369.850981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.850981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.850981 (E_RNA)
where:
Base-Base interactions energy: -238.792
where: short stacking energy: -110.621
Base-Backbone interact. energy: -1.594
local terms energy: -129.464760
where:
bonds (distance) C4'-P energy: -24.666
bonds (distance) P-C4' energy: -26.022
flat angles C4'-P-C4' energy: -25.724
flat angles P-C4'-P energy: -18.703
tors. eta vs tors. theta energy: -34.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -425.610291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.610291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.610291 (E_RNA)
where:
Base-Base interactions energy: -290.004
where: short stacking energy: -111.243
Base-Backbone interact. energy: -0.257
local terms energy: -135.349816
where:
bonds (distance) C4'-P energy: -28.306
bonds (distance) P-C4' energy: -24.123
flat angles C4'-P-C4' energy: -29.258
flat angles P-C4'-P energy: -21.674
tors. eta vs tors. theta energy: -31.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -315.884868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.884868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.884868 (E_RNA)
where:
Base-Base interactions energy: -219.568
where: short stacking energy: -96.272
Base-Backbone interact. energy: -0.326
local terms energy: -95.990274
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -26.254
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -15.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -265.739522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.739522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.739522 (E_RNA)
where:
Base-Base interactions energy: -155.168
where: short stacking energy: -80.052
Base-Backbone interact. energy: 1.357
local terms energy: -111.928528
where:
bonds (distance) C4'-P energy: -19.681
bonds (distance) P-C4' energy: -24.349
flat angles C4'-P-C4' energy: -29.351
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -21.503
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: 7
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -169.660353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.660353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.660353 (E_RNA)
where:
Base-Base interactions energy: -69.790
where: short stacking energy: -55.837
Base-Backbone interact. energy: -0.531
local terms energy: -99.339893
where:
bonds (distance) C4'-P energy: -22.760
bonds (distance) P-C4' energy: -22.665
flat angles C4'-P-C4' energy: -24.343
flat angles P-C4'-P energy: -15.929
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: 10, replica: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -138.373442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.373442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.373442 (E_RNA)
where:
Base-Base interactions energy: -55.228
where: short stacking energy: -52.575
Base-Backbone interact. energy: -0.554
local terms energy: -82.591022
where:
bonds (distance) C4'-P energy: -19.661
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -24.209
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -4.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -519.341204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.341204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.341204 (E_RNA)
where:
Base-Base interactions energy: -361.359
where: short stacking energy: -146.013
Base-Backbone interact. energy: 1.055
local terms energy: -159.037117
where:
bonds (distance) C4'-P energy: -29.783
bonds (distance) P-C4' energy: -31.105
flat angles C4'-P-C4' energy: -28.415
flat angles P-C4'-P energy: -24.227
tors. eta vs tors. theta energy: -45.506
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: 3
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -479.306284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.306284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.306284 (E_RNA)
where:
Base-Base interactions energy: -327.219
where: short stacking energy: -143.193
Base-Backbone interact. energy: -0.429
local terms energy: -151.657904
where:
bonds (distance) C4'-P energy: -27.188
bonds (distance) P-C4' energy: -30.656
flat angles C4'-P-C4' energy: -28.382
flat angles P-C4'-P energy: -25.133
tors. eta vs tors. theta energy: -40.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -473.645016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.645016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.645016 (E_RNA)
where:
Base-Base interactions energy: -332.349
where: short stacking energy: -141.158
Base-Backbone interact. energy: -0.034
local terms energy: -141.262506
where:
bonds (distance) C4'-P energy: -32.030
bonds (distance) P-C4' energy: -28.773
flat angles C4'-P-C4' energy: -28.368
flat angles P-C4'-P energy: -17.052
tors. eta vs tors. theta energy: -35.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -468.349551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.349551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.349551 (E_RNA)
where:
Base-Base interactions energy: -326.249
where: short stacking energy: -125.979
Base-Backbone interact. energy: -0.901
local terms energy: -141.199739
where:
bonds (distance) C4'-P energy: -26.709
bonds (distance) P-C4' energy: -25.225
flat angles C4'-P-C4' energy: -31.222
flat angles P-C4'-P energy: -18.167
tors. eta vs tors. theta energy: -39.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -433.845820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.845820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.845820 (E_RNA)
where:
Base-Base interactions energy: -305.241
where: short stacking energy: -119.781
Base-Backbone interact. energy: -1.226
local terms energy: -127.379090
where:
bonds (distance) C4'-P energy: -25.251
bonds (distance) P-C4' energy: -25.561
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -16.860
tors. eta vs tors. theta energy: -33.275
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: 8
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -372.514553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.514553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.514553 (E_RNA)
where:
Base-Base interactions energy: -256.068
where: short stacking energy: -118.133
Base-Backbone interact. energy: -1.449
local terms energy: -114.996936
where:
bonds (distance) C4'-P energy: -24.772
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -28.576
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -30.034
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: 2
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -302.408840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.408840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.408840 (E_RNA)
where:
Base-Base interactions energy: -184.146
where: short stacking energy: -76.034
Base-Backbone interact. energy: -0.852
local terms energy: -117.410044
where:
bonds (distance) C4'-P energy: -25.109
bonds (distance) P-C4' energy: -29.402
flat angles C4'-P-C4' energy: -29.544
flat angles P-C4'-P energy: -18.051
tors. eta vs tors. theta energy: -15.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -245.588774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.588774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.588774 (E_RNA)
where:
Base-Base interactions energy: -138.463
where: short stacking energy: -71.348
Base-Backbone interact. energy: -0.530
local terms energy: -106.596122
where:
bonds (distance) C4'-P energy: -25.011
bonds (distance) P-C4' energy: -32.857
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -17.511
tors. eta vs tors. theta energy: -15.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -152.327023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.327023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.327023 (E_RNA)
where:
Base-Base interactions energy: -67.980
where: short stacking energy: -59.205
Base-Backbone interact. energy: 1.431
local terms energy: -85.778185
where:
bonds (distance) C4'-P energy: -21.470
bonds (distance) P-C4' energy: -24.359
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -13.851
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: 10, replica: 7
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -144.914567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.914567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.914567 (E_RNA)
where:
Base-Base interactions energy: -60.227
where: short stacking energy: -27.664
Base-Backbone interact. energy: -0.830
local terms energy: -83.857855
where:
bonds (distance) C4'-P energy: -30.122
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: 1.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -508.065337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.065337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.065337 (E_RNA)
where:
Base-Base interactions energy: -348.854
where: short stacking energy: -153.370
Base-Backbone interact. energy: -0.831
local terms energy: -158.380194
where:
bonds (distance) C4'-P energy: -28.453
bonds (distance) P-C4' energy: -28.794
flat angles C4'-P-C4' energy: -31.123
flat angles P-C4'-P energy: -25.244
tors. eta vs tors. theta energy: -44.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -476.969029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.969029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.969029 (E_RNA)
where:
Base-Base interactions energy: -318.017
where: short stacking energy: -141.136
Base-Backbone interact. energy: -0.926
local terms energy: -158.026601
where:
bonds (distance) C4'-P energy: -27.237
bonds (distance) P-C4' energy: -30.316
flat angles C4'-P-C4' energy: -31.697
flat angles P-C4'-P energy: -26.333
tors. eta vs tors. theta energy: -42.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -449.008808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.008808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.008808 (E_RNA)
where:
Base-Base interactions energy: -308.419
where: short stacking energy: -130.031
Base-Backbone interact. energy: 0.042
local terms energy: -140.631591
where:
bonds (distance) C4'-P energy: -26.352
bonds (distance) P-C4' energy: -25.940
flat angles C4'-P-C4' energy: -34.102
flat angles P-C4'-P energy: -18.644
tors. eta vs tors. theta energy: -35.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -446.973888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.973888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.973888 (E_RNA)
where:
Base-Base interactions energy: -313.195
where: short stacking energy: -122.425
Base-Backbone interact. energy: -0.975
local terms energy: -132.804035
where:
bonds (distance) C4'-P energy: -26.702
bonds (distance) P-C4' energy: -26.639
flat angles C4'-P-C4' energy: -28.387
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: -34.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -450.280504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.280504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.280504 (E_RNA)
where:
Base-Base interactions energy: -319.474
where: short stacking energy: -138.155
Base-Backbone interact. energy: -0.305
local terms energy: -130.501141
where:
bonds (distance) C4'-P energy: -22.590
bonds (distance) P-C4' energy: -25.758
flat angles C4'-P-C4' energy: -30.218
flat angles P-C4'-P energy: -19.050
tors. eta vs tors. theta energy: -32.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -394.695530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.695530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.695530 (E_RNA)
where:
Base-Base interactions energy: -262.714
where: short stacking energy: -138.585
Base-Backbone interact. energy: -0.588
local terms energy: -131.392920
where:
bonds (distance) C4'-P energy: -22.162
bonds (distance) P-C4' energy: -26.941
flat angles C4'-P-C4' energy: -30.106
flat angles P-C4'-P energy: -16.145
tors. eta vs tors. theta energy: -36.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -291.282697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.282697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.282697 (E_RNA)
where:
Base-Base interactions energy: -184.635
where: short stacking energy: -87.793
Base-Backbone interact. energy: -0.909
local terms energy: -105.739011
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -21.748
flat angles C4'-P-C4' energy: -26.414
flat angles P-C4'-P energy: -22.529
tors. eta vs tors. theta energy: -14.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -230.922700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.922700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.922700 (E_RNA)
where:
Base-Base interactions energy: -131.532
where: short stacking energy: -71.542
Base-Backbone interact. energy: -1.430
local terms energy: -97.961355
where:
bonds (distance) C4'-P energy: -21.807
bonds (distance) P-C4' energy: -26.483
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -17.102
tors. eta vs tors. theta energy: -15.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -266.633877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.633877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.633877 (E_RNA)
where:
Base-Base interactions energy: -151.323
where: short stacking energy: -82.385
Base-Backbone interact. energy: -0.508
local terms energy: -114.802818
where:
bonds (distance) C4'-P energy: -23.556
bonds (distance) P-C4' energy: -28.430
flat angles C4'-P-C4' energy: -21.890
flat angles P-C4'-P energy: -21.303
tors. eta vs tors. theta energy: -19.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -130.634162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.634162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.634162 (E_RNA)
where:
Base-Base interactions energy: -52.349
where: short stacking energy: -48.946
Base-Backbone interact. energy: -0.192
local terms energy: -78.093200
where:
bonds (distance) C4'-P energy: -19.304
bonds (distance) P-C4' energy: -30.248
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -12.495
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: 1, replica: 6
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -501.811186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.811186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.811186 (E_RNA)
where:
Base-Base interactions energy: -353.330
where: short stacking energy: -150.941
Base-Backbone interact. energy: 0.221
local terms energy: -148.702283
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -28.857
flat angles C4'-P-C4' energy: -35.340
flat angles P-C4'-P energy: -20.718
tors. eta vs tors. theta energy: -41.201
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: 100
Temperature: 0.950000
Total energy: -478.728230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.728230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.728230 (E_RNA)
where:
Base-Base interactions energy: -321.632
where: short stacking energy: -153.570
Base-Backbone interact. energy: -1.096
local terms energy: -155.999780
where:
bonds (distance) C4'-P energy: -23.590
bonds (distance) P-C4' energy: -26.897
flat angles C4'-P-C4' energy: -33.192
flat angles P-C4'-P energy: -27.092
tors. eta vs tors. theta energy: -45.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -462.623295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.623295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.623295 (E_RNA)
where:
Base-Base interactions energy: -322.361
where: short stacking energy: -129.530
Base-Backbone interact. energy: -0.384
local terms energy: -139.878355
where:
bonds (distance) C4'-P energy: -28.056
bonds (distance) P-C4' energy: -26.876
flat angles C4'-P-C4' energy: -30.120
flat angles P-C4'-P energy: -16.373
tors. eta vs tors. theta energy: -38.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -445.647273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.647273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.647273 (E_RNA)
where:
Base-Base interactions energy: -311.049
where: short stacking energy: -126.467
Base-Backbone interact. energy: -0.038
local terms energy: -134.559967
where:
bonds (distance) C4'-P energy: -22.526
bonds (distance) P-C4' energy: -28.249
flat angles C4'-P-C4' energy: -29.923
flat angles P-C4'-P energy: -20.590
tors. eta vs tors. theta energy: -33.272
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: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -444.754679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.754679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.754679 (E_RNA)
where:
Base-Base interactions energy: -316.099
where: short stacking energy: -128.863
Base-Backbone interact. energy: -0.350
local terms energy: -128.305591
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -29.131
flat angles C4'-P-C4' energy: -32.726
flat angles P-C4'-P energy: -17.269
tors. eta vs tors. theta energy: -29.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -380.139000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.139000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.139000 (E_RNA)
where:
Base-Base interactions energy: -251.811
where: short stacking energy: -131.979
Base-Backbone interact. energy: -0.125
local terms energy: -128.202204
where:
bonds (distance) C4'-P energy: -25.292
bonds (distance) P-C4' energy: -26.150
flat angles C4'-P-C4' energy: -28.434
flat angles P-C4'-P energy: -14.220
tors. eta vs tors. theta energy: -34.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -318.751911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.751911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.751911 (E_RNA)
where:
Base-Base interactions energy: -209.616
where: short stacking energy: -101.545
Base-Backbone interact. energy: -0.188
local terms energy: -108.947718
where:
bonds (distance) C4'-P energy: -26.755
bonds (distance) P-C4' energy: -25.434
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -16.153
tors. eta vs tors. theta energy: -20.553
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: 4
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -220.164814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.164814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.164814 (E_RNA)
where:
Base-Base interactions energy: -126.967
where: short stacking energy: -58.153
Base-Backbone interact. energy: -0.102
local terms energy: -93.095430
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -30.661
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -10.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -134.194410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.194410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.194410 (E_RNA)
where:
Base-Base interactions energy: -56.352
where: short stacking energy: -45.668
Base-Backbone interact. energy: -0.157
local terms energy: -77.685052
where:
bonds (distance) C4'-P energy: -22.368
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -7.731
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: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -214.505571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.505571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.505571 (E_RNA)
where:
Base-Base interactions energy: -119.177
where: short stacking energy: -53.149
Base-Backbone interact. energy: -1.257
local terms energy: -94.071822
where:
bonds (distance) C4'-P energy: -24.743
bonds (distance) P-C4' energy: -30.244
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -11.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -506.040954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.040954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.040954 (E_RNA)
where:
Base-Base interactions energy: -349.032
where: short stacking energy: -141.423
Base-Backbone interact. energy: -0.354
local terms energy: -156.655039
where:
bonds (distance) C4'-P energy: -29.282
bonds (distance) P-C4' energy: -34.493
flat angles C4'-P-C4' energy: -29.303
flat angles P-C4'-P energy: -18.304
tors. eta vs tors. theta energy: -45.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -485.156931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.156931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.156931 (E_RNA)
where:
Base-Base interactions energy: -324.319
where: short stacking energy: -144.101
Base-Backbone interact. energy: -0.664
local terms energy: -160.173997
where:
bonds (distance) C4'-P energy: -29.840
bonds (distance) P-C4' energy: -27.613
flat angles C4'-P-C4' energy: -34.887
flat angles P-C4'-P energy: -22.261
tors. eta vs tors. theta energy: -45.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -455.499332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.499332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.499332 (E_RNA)
where:
Base-Base interactions energy: -315.258
where: short stacking energy: -123.329
Base-Backbone interact. energy: -0.348
local terms energy: -139.893245
where:
bonds (distance) C4'-P energy: -28.391
bonds (distance) P-C4' energy: -23.958
flat angles C4'-P-C4' energy: -32.765
flat angles P-C4'-P energy: -17.766
tors. eta vs tors. theta energy: -37.013
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: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -448.677607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.677607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.677607 (E_RNA)
where:
Base-Base interactions energy: -326.093
where: short stacking energy: -132.670
Base-Backbone interact. energy: 0.615
local terms energy: -123.199962
where:
bonds (distance) C4'-P energy: -25.079
bonds (distance) P-C4' energy: -25.942
flat angles C4'-P-C4' energy: -26.063
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -32.004
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: 10
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -444.357363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.357363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.357363 (E_RNA)
where:
Base-Base interactions energy: -299.238
where: short stacking energy: -133.431
Base-Backbone interact. energy: -0.028
local terms energy: -145.091760
where:
bonds (distance) C4'-P energy: -20.112
bonds (distance) P-C4' energy: -28.766
flat angles C4'-P-C4' energy: -31.809
flat angles P-C4'-P energy: -23.626
tors. eta vs tors. theta energy: -40.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -318.112175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.112175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.112175 (E_RNA)
where:
Base-Base interactions energy: -212.294
where: short stacking energy: -101.542
Base-Backbone interact. energy: -0.541
local terms energy: -105.277130
where:
bonds (distance) C4'-P energy: -24.032
bonds (distance) P-C4' energy: -26.649
flat angles C4'-P-C4' energy: -20.053
flat angles P-C4'-P energy: -17.949
tors. eta vs tors. theta energy: -16.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -316.546148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.546148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.546148 (E_RNA)
where:
Base-Base interactions energy: -211.446
where: short stacking energy: -93.495
Base-Backbone interact. energy: -0.373
local terms energy: -104.727070
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -26.309
flat angles C4'-P-C4' energy: -25.733
flat angles P-C4'-P energy: -17.304
tors. eta vs tors. theta energy: -16.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -238.620152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.620152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.620152 (E_RNA)
where:
Base-Base interactions energy: -124.228
where: short stacking energy: -69.212
Base-Backbone interact. energy: 1.220
local terms energy: -115.611818
where:
bonds (distance) C4'-P energy: -25.917
bonds (distance) P-C4' energy: -25.380
flat angles C4'-P-C4' energy: -30.437
flat angles P-C4'-P energy: -19.824
tors. eta vs tors. theta energy: -14.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -142.072607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.072607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.072607 (E_RNA)
where:
Base-Base interactions energy: -61.185
where: short stacking energy: -61.585
Base-Backbone interact. energy: -0.209
local terms energy: -80.678875
where:
bonds (distance) C4'-P energy: -25.688
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -24.435
flat angles P-C4'-P energy: -10.420
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: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -233.454641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.454641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.454641 (E_RNA)
where:
Base-Base interactions energy: -142.142
where: short stacking energy: -63.728
Base-Backbone interact. energy: 2.764
local terms energy: -94.077137
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -30.700
flat angles C4'-P-C4' energy: -23.878
flat angles P-C4'-P energy: -15.240
tors. eta vs tors. theta energy: -6.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -474.277944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.277944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.277944 (E_RNA)
where:
Base-Base interactions energy: -322.324
where: short stacking energy: -138.359
Base-Backbone interact. energy: -0.958
local terms energy: -150.996531
where:
bonds (distance) C4'-P energy: -27.883
bonds (distance) P-C4' energy: -29.539
flat angles C4'-P-C4' energy: -32.714
flat angles P-C4'-P energy: -18.957
tors. eta vs tors. theta energy: -41.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -493.379024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.379024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.379024 (E_RNA)
where:
Base-Base interactions energy: -347.339
where: short stacking energy: -147.260
Base-Backbone interact. energy: -0.066
local terms energy: -145.973246
where:
bonds (distance) C4'-P energy: -27.643
bonds (distance) P-C4' energy: -25.396
flat angles C4'-P-C4' energy: -27.513
flat angles P-C4'-P energy: -22.098
tors. eta vs tors. theta energy: -43.323
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: 1
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -466.104342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.104342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.104342 (E_RNA)
where:
Base-Base interactions energy: -325.218
where: short stacking energy: -130.767
Base-Backbone interact. energy: -0.278
local terms energy: -140.607794
where:
bonds (distance) C4'-P energy: -24.425
bonds (distance) P-C4' energy: -32.828
flat angles C4'-P-C4' energy: -29.622
flat angles P-C4'-P energy: -19.350
tors. eta vs tors. theta energy: -34.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -462.746128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.746128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.746128 (E_RNA)
where:
Base-Base interactions energy: -321.558
where: short stacking energy: -126.890
Base-Backbone interact. energy: -1.921
local terms energy: -139.266536
where:
bonds (distance) C4'-P energy: -24.565
bonds (distance) P-C4' energy: -31.580
flat angles C4'-P-C4' energy: -29.272
flat angles P-C4'-P energy: -20.553
tors. eta vs tors. theta energy: -33.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -448.421862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.421862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.421862 (E_RNA)
where:
Base-Base interactions energy: -313.354
where: short stacking energy: -125.658
Base-Backbone interact. energy: -0.163
local terms energy: -134.904778
where:
bonds (distance) C4'-P energy: -27.893
bonds (distance) P-C4' energy: -26.041
flat angles C4'-P-C4' energy: -28.314
flat angles P-C4'-P energy: -16.464
tors. eta vs tors. theta energy: -36.192
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: 2
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -355.714509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.714509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.714509 (E_RNA)
where:
Base-Base interactions energy: -247.703
where: short stacking energy: -112.660
Base-Backbone interact. energy: 2.465
local terms energy: -110.476311
where:
bonds (distance) C4'-P energy: -24.509
bonds (distance) P-C4' energy: -26.710
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -20.730
tors. eta vs tors. theta energy: -24.539
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: 8
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -372.051074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.051074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.051074 (E_RNA)
where:
Base-Base interactions energy: -245.223
where: short stacking energy: -116.512
Base-Backbone interact. energy: -0.478
local terms energy: -126.350980
where:
bonds (distance) C4'-P energy: -27.344
bonds (distance) P-C4' energy: -26.401
flat angles C4'-P-C4' energy: -30.924
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -31.264
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: 8, replica: 4
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -218.104832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.104832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.104832 (E_RNA)
where:
Base-Base interactions energy: -131.899
where: short stacking energy: -71.879
Base-Backbone interact. energy: -0.331
local terms energy: -85.874868
where:
bonds (distance) C4'-P energy: -20.595
bonds (distance) P-C4' energy: -11.133
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -17.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -237.034554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.034554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.034554 (E_RNA)
where:
Base-Base interactions energy: -146.042
where: short stacking energy: -80.011
Base-Backbone interact. energy: 0.613
local terms energy: -91.605679
where:
bonds (distance) C4'-P energy: -25.200
bonds (distance) P-C4' energy: -22.767
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -12.870
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: 7
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -123.071502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.071502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.071502 (E_RNA)
where:
Base-Base interactions energy: -38.553
where: short stacking energy: -42.753
Base-Backbone interact. energy: -0.243
local terms energy: -84.275564
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -32.520
flat angles C4'-P-C4' energy: -20.183
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -0.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -500.665733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.665733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.665733 (E_RNA)
where:
Base-Base interactions energy: -342.212
where: short stacking energy: -159.617
Base-Backbone interact. energy: -0.305
local terms energy: -158.148335
where:
bonds (distance) C4'-P energy: -28.093
bonds (distance) P-C4' energy: -23.173
flat angles C4'-P-C4' energy: -34.003
flat angles P-C4'-P energy: -22.368
tors. eta vs tors. theta energy: -50.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -467.366855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.366855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.366855 (E_RNA)
where:
Base-Base interactions energy: -330.745
where: short stacking energy: -139.305
Base-Backbone interact. energy: -0.337
local terms energy: -136.285042
where:
bonds (distance) C4'-P energy: -28.301
bonds (distance) P-C4' energy: -27.882
flat angles C4'-P-C4' energy: -30.227
flat angles P-C4'-P energy: -16.389
tors. eta vs tors. theta energy: -33.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -487.812056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.812056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.812056 (E_RNA)
where:
Base-Base interactions energy: -334.906
where: short stacking energy: -145.953
Base-Backbone interact. energy: -0.818
local terms energy: -152.087121
where:
bonds (distance) C4'-P energy: -24.214
bonds (distance) P-C4' energy: -26.505
flat angles C4'-P-C4' energy: -31.795
flat angles P-C4'-P energy: -24.727
tors. eta vs tors. theta energy: -44.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -468.531609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.531609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.531609 (E_RNA)
where:
Base-Base interactions energy: -319.022
where: short stacking energy: -130.568
Base-Backbone interact. energy: -0.051
local terms energy: -149.458472
where:
bonds (distance) C4'-P energy: -33.992
bonds (distance) P-C4' energy: -30.347
flat angles C4'-P-C4' energy: -27.685
flat angles P-C4'-P energy: -20.455
tors. eta vs tors. theta energy: -36.979
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: 5
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -440.458935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.458935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.458935 (E_RNA)
where:
Base-Base interactions energy: -313.908
where: short stacking energy: -135.567
Base-Backbone interact. energy: 1.981
local terms energy: -128.532822
where:
bonds (distance) C4'-P energy: -24.060
bonds (distance) P-C4' energy: -25.606
flat angles C4'-P-C4' energy: -28.315
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -37.020
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: 103
Temperature: 1.150000
Total energy: -354.167047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.167047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.167047 (E_RNA)
where:
Base-Base interactions energy: -237.407
where: short stacking energy: -106.298
Base-Backbone interact. energy: -0.330
local terms energy: -116.429444
where:
bonds (distance) C4'-P energy: -26.006
bonds (distance) P-C4' energy: -26.200
flat angles C4'-P-C4' energy: -31.424
flat angles P-C4'-P energy: -5.684
tors. eta vs tors. theta energy: -27.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -349.338999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.338999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.338999 (E_RNA)
where:
Base-Base interactions energy: -221.173
where: short stacking energy: -101.241
Base-Backbone interact. energy: -0.324
local terms energy: -127.841833
where:
bonds (distance) C4'-P energy: -25.018
bonds (distance) P-C4' energy: -23.172
flat angles C4'-P-C4' energy: -28.429
flat angles P-C4'-P energy: -22.539
tors. eta vs tors. theta energy: -28.684
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: 8, replica: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -228.610268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.610268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.610268 (E_RNA)
where:
Base-Base interactions energy: -138.250
where: short stacking energy: -72.845
Base-Backbone interact. energy: -0.513
local terms energy: -89.847250
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -18.744
flat angles C4'-P-C4' energy: -21.881
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -8.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -230.637137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.637137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.637137 (E_RNA)
where:
Base-Base interactions energy: -131.083
where: short stacking energy: -80.943
Base-Backbone interact. energy: -0.198
local terms energy: -99.356173
where:
bonds (distance) C4'-P energy: -27.164
bonds (distance) P-C4' energy: -24.914
flat angles C4'-P-C4' energy: -20.527
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -16.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -137.735017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.735017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.735017 (E_RNA)
where:
Base-Base interactions energy: -66.480
where: short stacking energy: -34.306
Base-Backbone interact. energy: -0.517
local terms energy: -70.737389
where:
bonds (distance) C4'-P energy: -24.274
bonds (distance) P-C4' energy: -23.373
flat angles C4'-P-C4' energy: -22.003
flat angles P-C4'-P energy: -3.525
tors. eta vs tors. theta energy: 2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -474.898738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.898738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.898738 (E_RNA)
where:
Base-Base interactions energy: -333.617
where: short stacking energy: -145.550
Base-Backbone interact. energy: -0.840
local terms energy: -140.442121
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -23.925
flat angles C4'-P-C4' energy: -30.279
flat angles P-C4'-P energy: -21.162
tors. eta vs tors. theta energy: -44.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -471.326587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.326587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.326587 (E_RNA)
where:
Base-Base interactions energy: -329.432
where: short stacking energy: -132.700
Base-Backbone interact. energy: 0.001
local terms energy: -141.895496
where:
bonds (distance) C4'-P energy: -26.679
bonds (distance) P-C4' energy: -28.059
flat angles C4'-P-C4' energy: -32.903
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -42.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -476.740533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.740533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.740533 (E_RNA)
where:
Base-Base interactions energy: -325.579
where: short stacking energy: -143.241
Base-Backbone interact. energy: -0.776
local terms energy: -150.385831
where:
bonds (distance) C4'-P energy: -24.923
bonds (distance) P-C4' energy: -26.966
flat angles C4'-P-C4' energy: -33.505
flat angles P-C4'-P energy: -18.476
tors. eta vs tors. theta energy: -46.516
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: 6
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -478.867520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.867520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.867520 (E_RNA)
where:
Base-Base interactions energy: -334.583
where: short stacking energy: -145.850
Base-Backbone interact. energy: -0.015
local terms energy: -144.269065
where:
bonds (distance) C4'-P energy: -21.965
bonds (distance) P-C4' energy: -30.378
flat angles C4'-P-C4' energy: -28.681
flat angles P-C4'-P energy: -21.789
tors. eta vs tors. theta energy: -41.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -441.967489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.967489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.967489 (E_RNA)
where:
Base-Base interactions energy: -318.160
where: short stacking energy: -126.202
Base-Backbone interact. energy: -0.234
local terms energy: -123.573645
where:
bonds (distance) C4'-P energy: -21.623
bonds (distance) P-C4' energy: -27.770
flat angles C4'-P-C4' energy: -25.675
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -34.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -358.940691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.940691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.940691 (E_RNA)
where:
Base-Base interactions energy: -236.803
where: short stacking energy: -97.733
Base-Backbone interact. energy: -0.177
local terms energy: -121.960440
where:
bonds (distance) C4'-P energy: -26.524
bonds (distance) P-C4' energy: -28.839
flat angles C4'-P-C4' energy: -26.032
flat angles P-C4'-P energy: -17.645
tors. eta vs tors. theta energy: -22.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -336.411794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.411794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.411794 (E_RNA)
where:
Base-Base interactions energy: -217.004
where: short stacking energy: -115.962
Base-Backbone interact. energy: -0.252
local terms energy: -119.156203
where:
bonds (distance) C4'-P energy: -23.917
bonds (distance) P-C4' energy: -22.314
flat angles C4'-P-C4' energy: -26.872
flat angles P-C4'-P energy: -15.381
tors. eta vs tors. theta energy: -30.672
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: 8, replica: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -224.627994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.627994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.627994 (E_RNA)
where:
Base-Base interactions energy: -123.996
where: short stacking energy: -65.037
Base-Backbone interact. energy: 0.296
local terms energy: -100.928139
where:
bonds (distance) C4'-P energy: -24.198
bonds (distance) P-C4' energy: -26.761
flat angles C4'-P-C4' energy: -22.188
flat angles P-C4'-P energy: -19.628
tors. eta vs tors. theta energy: -8.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -207.968410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.968410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.968410 (E_RNA)
where:
Base-Base interactions energy: -105.442
where: short stacking energy: -59.128
Base-Backbone interact. energy: -2.078
local terms energy: -100.447996
where:
bonds (distance) C4'-P energy: -24.600
bonds (distance) P-C4' energy: -19.238
flat angles C4'-P-C4' energy: -27.138
flat angles P-C4'-P energy: -16.246
tors. eta vs tors. theta energy: -13.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -143.472928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.472928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.472928 (E_RNA)
where:
Base-Base interactions energy: -59.383
where: short stacking energy: -55.480
Base-Backbone interact. energy: -0.655
local terms energy: -83.435104
where:
bonds (distance) C4'-P energy: -23.367
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -17.219
tors. eta vs tors. theta energy: -2.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -476.152308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.152308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.152308 (E_RNA)
where:
Base-Base interactions energy: -335.771
where: short stacking energy: -148.750
Base-Backbone interact. energy: -1.347
local terms energy: -139.034427
where:
bonds (distance) C4'-P energy: -27.859
bonds (distance) P-C4' energy: -23.374
flat angles C4'-P-C4' energy: -24.946
flat angles P-C4'-P energy: -17.568
tors. eta vs tors. theta energy: -45.287
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: 1
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -483.661758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.661758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.661758 (E_RNA)
where:
Base-Base interactions energy: -332.055
where: short stacking energy: -139.332
Base-Backbone interact. energy: -1.315
local terms energy: -150.292358
where:
bonds (distance) C4'-P energy: -30.242
bonds (distance) P-C4' energy: -25.227
flat angles C4'-P-C4' energy: -32.187
flat angles P-C4'-P energy: -20.540
tors. eta vs tors. theta energy: -42.097
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: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -475.618873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.618873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.618873 (E_RNA)
where:
Base-Base interactions energy: -330.149
where: short stacking energy: -152.885
Base-Backbone interact. energy: -0.061
local terms energy: -145.408929
where:
bonds (distance) C4'-P energy: -24.018
bonds (distance) P-C4' energy: -32.338
flat angles C4'-P-C4' energy: -30.827
flat angles P-C4'-P energy: -19.120
tors. eta vs tors. theta energy: -39.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -478.258528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.258528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.258528 (E_RNA)
where:
Base-Base interactions energy: -332.180
where: short stacking energy: -146.095
Base-Backbone interact. energy: -0.101
local terms energy: -145.977697
where:
bonds (distance) C4'-P energy: -23.485
bonds (distance) P-C4' energy: -24.791
flat angles C4'-P-C4' energy: -30.570
flat angles P-C4'-P energy: -23.996
tors. eta vs tors. theta energy: -43.135
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: 5, replica: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -435.659044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.659044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.659044 (E_RNA)
where:
Base-Base interactions energy: -310.660
where: short stacking energy: -126.954
Base-Backbone interact. energy: -0.305
local terms energy: -124.694197
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -26.452
flat angles C4'-P-C4' energy: -28.539
flat angles P-C4'-P energy: -17.657
tors. eta vs tors. theta energy: -32.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -377.104689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.104689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.104689 (E_RNA)
where:
Base-Base interactions energy: -258.007
where: short stacking energy: -108.732
Base-Backbone interact. energy: -0.852
local terms energy: -118.245839
where:
bonds (distance) C4'-P energy: -23.361
bonds (distance) P-C4' energy: -24.915
flat angles C4'-P-C4' energy: -25.556
flat angles P-C4'-P energy: -17.260
tors. eta vs tors. theta energy: -27.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -342.216127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.216127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.216127 (E_RNA)
where:
Base-Base interactions energy: -232.403
where: short stacking energy: -106.796
Base-Backbone interact. energy: -0.180
local terms energy: -109.633341
where:
bonds (distance) C4'-P energy: -25.159
bonds (distance) P-C4' energy: -19.980
flat angles C4'-P-C4' energy: -22.951
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -27.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -236.378489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.378489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.378489 (E_RNA)
where:
Base-Base interactions energy: -133.764
where: short stacking energy: -72.300
Base-Backbone interact. energy: -0.682
local terms energy: -101.932724
where:
bonds (distance) C4'-P energy: -26.118
bonds (distance) P-C4' energy: -32.933
flat angles C4'-P-C4' energy: -23.940
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -11.931
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: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -229.027198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.027198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.027198 (E_RNA)
where:
Base-Base interactions energy: -133.501
where: short stacking energy: -66.191
Base-Backbone interact. energy: -0.269
local terms energy: -95.258150
where:
bonds (distance) C4'-P energy: -27.485
bonds (distance) P-C4' energy: -24.506
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -13.897
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: 7
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -140.626838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.626838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.626838 (E_RNA)
where:
Base-Base interactions energy: -49.584
where: short stacking energy: -37.138
Base-Backbone interact. energy: -0.274
local terms energy: -90.768878
where:
bonds (distance) C4'-P energy: -27.965
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -21.544
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -5.566
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: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -474.302939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.302939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.302939 (E_RNA)
where:
Base-Base interactions energy: -328.517
where: short stacking energy: -142.503
Base-Backbone interact. energy: 2.041
local terms energy: -147.827239
where:
bonds (distance) C4'-P energy: -22.936
bonds (distance) P-C4' energy: -31.124
flat angles C4'-P-C4' energy: -32.645
flat angles P-C4'-P energy: -20.849
tors. eta vs tors. theta energy: -40.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -469.172141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.172141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.172141 (E_RNA)
where:
Base-Base interactions energy: -319.737
where: short stacking energy: -146.167
Base-Backbone interact. energy: -0.160
local terms energy: -149.275193
where:
bonds (distance) C4'-P energy: -26.366
bonds (distance) P-C4' energy: -32.129
flat angles C4'-P-C4' energy: -31.032
flat angles P-C4'-P energy: -19.252
tors. eta vs tors. theta energy: -40.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -495.929667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.929667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.929667 (E_RNA)
where:
Base-Base interactions energy: -337.114
where: short stacking energy: -133.231
Base-Backbone interact. energy: -0.055
local terms energy: -158.760807
where:
bonds (distance) C4'-P energy: -26.503
bonds (distance) P-C4' energy: -32.789
flat angles C4'-P-C4' energy: -34.560
flat angles P-C4'-P energy: -21.063
tors. eta vs tors. theta energy: -43.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -457.023054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.023054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.023054 (E_RNA)
where:
Base-Base interactions energy: -309.917
where: short stacking energy: -132.825
Base-Backbone interact. energy: 0.239
local terms energy: -147.345400
where:
bonds (distance) C4'-P energy: -28.882
bonds (distance) P-C4' energy: -29.693
flat angles C4'-P-C4' energy: -29.341
flat angles P-C4'-P energy: -17.979
tors. eta vs tors. theta energy: -41.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -445.175465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.175465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.175465 (E_RNA)
where:
Base-Base interactions energy: -315.015
where: short stacking energy: -129.988
Base-Backbone interact. energy: -0.308
local terms energy: -129.852894
where:
bonds (distance) C4'-P energy: -25.219
bonds (distance) P-C4' energy: -27.120
flat angles C4'-P-C4' energy: -23.530
flat angles P-C4'-P energy: -18.394
tors. eta vs tors. theta energy: -35.591
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: 2
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -356.845266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.845266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.845266 (E_RNA)
where:
Base-Base interactions energy: -244.897
where: short stacking energy: -106.523
Base-Backbone interact. energy: -1.157
local terms energy: -110.791293
where:
bonds (distance) C4'-P energy: -24.663
bonds (distance) P-C4' energy: -22.263
flat angles C4'-P-C4' energy: -29.058
flat angles P-C4'-P energy: -18.165
tors. eta vs tors. theta energy: -16.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -322.877475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.877475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.877475 (E_RNA)
where:
Base-Base interactions energy: -194.986
where: short stacking energy: -101.940
Base-Backbone interact. energy: -0.654
local terms energy: -127.237038
where:
bonds (distance) C4'-P energy: -20.062
bonds (distance) P-C4' energy: -27.418
flat angles C4'-P-C4' energy: -30.841
flat angles P-C4'-P energy: -19.806
tors. eta vs tors. theta energy: -29.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -220.775575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.775575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.775575 (E_RNA)
where:
Base-Base interactions energy: -129.326
where: short stacking energy: -66.007
Base-Backbone interact. energy: -0.307
local terms energy: -91.141995
where:
bonds (distance) C4'-P energy: -22.069
bonds (distance) P-C4' energy: -26.008
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -11.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -224.524402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.524402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.524402 (E_RNA)
where:
Base-Base interactions energy: -143.051
where: short stacking energy: -70.837
Base-Backbone interact. energy: -1.565
local terms energy: -79.908274
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -28.492
flat angles C4'-P-C4' energy: -19.911
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -4.899
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: 7
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -146.288252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.288252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.288252 (E_RNA)
where:
Base-Base interactions energy: -80.164
where: short stacking energy: -49.641
Base-Backbone interact. energy: -0.484
local terms energy: -65.640100
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -27.491
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -5.598
tors. eta vs tors. theta energy: 2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -483.586672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.586672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.586672 (E_RNA)
where:
Base-Base interactions energy: -340.228
where: short stacking energy: -128.957
Base-Backbone interact. energy: -0.079
local terms energy: -143.279597
where:
bonds (distance) C4'-P energy: -30.516
bonds (distance) P-C4' energy: -31.227
flat angles C4'-P-C4' energy: -29.430
flat angles P-C4'-P energy: -19.273
tors. eta vs tors. theta energy: -32.835
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: 6
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -498.531327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.531327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.531327 (E_RNA)
where:
Base-Base interactions energy: -344.029
where: short stacking energy: -149.198
Base-Backbone interact. energy: -0.479
local terms energy: -154.022859
where:
bonds (distance) C4'-P energy: -25.411
bonds (distance) P-C4' energy: -28.449
flat angles C4'-P-C4' energy: -32.325
flat angles P-C4'-P energy: -25.571
tors. eta vs tors. theta energy: -42.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -466.381225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.381225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.381225 (E_RNA)
where:
Base-Base interactions energy: -317.866
where: short stacking energy: -142.949
Base-Backbone interact. energy: 2.215
local terms energy: -150.730562
where:
bonds (distance) C4'-P energy: -27.240
bonds (distance) P-C4' energy: -29.961
flat angles C4'-P-C4' energy: -33.219
flat angles P-C4'-P energy: -20.776
tors. eta vs tors. theta energy: -39.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -456.368483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.368483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.368483 (E_RNA)
where:
Base-Base interactions energy: -312.347
where: short stacking energy: -133.126
Base-Backbone interact. energy: -0.028
local terms energy: -143.993571
where:
bonds (distance) C4'-P energy: -22.804
bonds (distance) P-C4' energy: -30.805
flat angles C4'-P-C4' energy: -30.857
flat angles P-C4'-P energy: -18.817
tors. eta vs tors. theta energy: -40.710
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: 107
Temperature: 1.100000
Total energy: -429.132921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.132921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.132921 (E_RNA)
where:
Base-Base interactions energy: -301.684
where: short stacking energy: -136.750
Base-Backbone interact. energy: -0.077
local terms energy: -127.372022
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -23.441
flat angles C4'-P-C4' energy: -33.225
flat angles P-C4'-P energy: -15.872
tors. eta vs tors. theta energy: -31.505
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: 2
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -362.582461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.582461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.582461 (E_RNA)
where:
Base-Base interactions energy: -240.360
where: short stacking energy: -102.548
Base-Backbone interact. energy: -0.607
local terms energy: -121.615033
where:
bonds (distance) C4'-P energy: -32.751
bonds (distance) P-C4' energy: -27.737
flat angles C4'-P-C4' energy: -26.547
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -20.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -318.264197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.264197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.264197 (E_RNA)
where:
Base-Base interactions energy: -217.585
where: short stacking energy: -102.958
Base-Backbone interact. energy: -0.330
local terms energy: -100.349090
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -28.074
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -24.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -236.351400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.351400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.351400 (E_RNA)
where:
Base-Base interactions energy: -141.969
where: short stacking energy: -63.556
Base-Backbone interact. energy: -1.238
local terms energy: -93.144706
where:
bonds (distance) C4'-P energy: -25.181
bonds (distance) P-C4' energy: -28.968
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -17.130
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: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -225.033097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.033097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.033097 (E_RNA)
where:
Base-Base interactions energy: -135.119
where: short stacking energy: -71.188
Base-Backbone interact. energy: -0.366
local terms energy: -89.547463
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -19.858
flat angles C4'-P-C4' energy: -22.323
flat angles P-C4'-P energy: -18.849
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: 10, replica: 7
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -203.917099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.917099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.917099 (E_RNA)
where:
Base-Base interactions energy: -114.554
where: short stacking energy: -58.307
Base-Backbone interact. energy: -0.738
local terms energy: -88.625089
where:
bonds (distance) C4'-P energy: -24.324
bonds (distance) P-C4' energy: -28.837
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -14.716
tors. eta vs tors. theta energy: -2.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -512.151232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.151232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.151232 (E_RNA)
where:
Base-Base interactions energy: -359.895
where: short stacking energy: -160.858
Base-Backbone interact. energy: -0.906
local terms energy: -151.350731
where:
bonds (distance) C4'-P energy: -26.697
bonds (distance) P-C4' energy: -28.840
flat angles C4'-P-C4' energy: -34.768
flat angles P-C4'-P energy: -20.603
tors. eta vs tors. theta energy: -40.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -469.867947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.867947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.867947 (E_RNA)
where:
Base-Base interactions energy: -333.303
where: short stacking energy: -136.788
Base-Backbone interact. energy: 0.500
local terms energy: -137.065049
where:
bonds (distance) C4'-P energy: -27.571
bonds (distance) P-C4' energy: -26.365
flat angles C4'-P-C4' energy: -29.353
flat angles P-C4'-P energy: -17.821
tors. eta vs tors. theta energy: -35.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -470.677780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.677780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.677780 (E_RNA)
where:
Base-Base interactions energy: -319.728
where: short stacking energy: -141.099
Base-Backbone interact. energy: -1.816
local terms energy: -149.133302
where:
bonds (distance) C4'-P energy: -30.465
bonds (distance) P-C4' energy: -27.435
flat angles C4'-P-C4' energy: -29.472
flat angles P-C4'-P energy: -19.501
tors. eta vs tors. theta energy: -42.261
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: 3
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -463.827256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.827256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.827256 (E_RNA)
where:
Base-Base interactions energy: -321.637
where: short stacking energy: -153.207
Base-Backbone interact. energy: -0.639
local terms energy: -141.551035
where:
bonds (distance) C4'-P energy: -23.520
bonds (distance) P-C4' energy: -24.313
flat angles C4'-P-C4' energy: -28.086
flat angles P-C4'-P energy: -20.137
tors. eta vs tors. theta energy: -45.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -360.868218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.868218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.868218 (E_RNA)
where:
Base-Base interactions energy: -242.673
where: short stacking energy: -113.961
Base-Backbone interact. energy: 4.086
local terms energy: -122.281024
where:
bonds (distance) C4'-P energy: -27.842
bonds (distance) P-C4' energy: -31.271
flat angles C4'-P-C4' energy: -23.396
flat angles P-C4'-P energy: -12.857
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: 6, replica: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -416.362105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.362105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.362105 (E_RNA)
where:
Base-Base interactions energy: -293.617
where: short stacking energy: -120.609
Base-Backbone interact. energy: -0.380
local terms energy: -122.365095
where:
bonds (distance) C4'-P energy: -23.565
bonds (distance) P-C4' energy: -21.949
flat angles C4'-P-C4' energy: -25.666
flat angles P-C4'-P energy: -19.508
tors. eta vs tors. theta energy: -31.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -302.417829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.417829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.417829 (E_RNA)
where:
Base-Base interactions energy: -187.585
where: short stacking energy: -75.751
Base-Backbone interact. energy: -0.137
local terms energy: -114.696123
where:
bonds (distance) C4'-P energy: -28.164
bonds (distance) P-C4' energy: -23.840
flat angles C4'-P-C4' energy: -29.454
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -24.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -209.147484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.147484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.147484 (E_RNA)
where:
Base-Base interactions energy: -115.860
where: short stacking energy: -71.849
Base-Backbone interact. energy: -0.710
local terms energy: -92.577672
where:
bonds (distance) C4'-P energy: -23.888
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -18.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -207.445558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.445558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.445558 (E_RNA)
where:
Base-Base interactions energy: -108.616
where: short stacking energy: -58.151
Base-Backbone interact. energy: 0.335
local terms energy: -99.164641
where:
bonds (distance) C4'-P energy: -27.393
bonds (distance) P-C4' energy: -23.038
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -19.394
tors. eta vs tors. theta energy: -9.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -230.389348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.389348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.389348 (E_RNA)
where:
Base-Base interactions energy: -123.288
where: short stacking energy: -63.953
Base-Backbone interact. energy: -0.734
local terms energy: -106.367491
where:
bonds (distance) C4'-P energy: -22.898
bonds (distance) P-C4' energy: -23.706
flat angles C4'-P-C4' energy: -25.532
flat angles P-C4'-P energy: -19.040
tors. eta vs tors. theta energy: -15.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -512.735395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.735395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.735395 (E_RNA)
where:
Base-Base interactions energy: -362.585
where: short stacking energy: -159.513
Base-Backbone interact. energy: 0.695
local terms energy: -150.844994
where:
bonds (distance) C4'-P energy: -28.284
bonds (distance) P-C4' energy: -26.652
flat angles C4'-P-C4' energy: -33.106
flat angles P-C4'-P energy: -21.016
tors. eta vs tors. theta energy: -41.786
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: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -473.806802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.806802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.806802 (E_RNA)
where:
Base-Base interactions energy: -320.905
where: short stacking energy: -141.417
Base-Backbone interact. energy: -1.537
local terms energy: -151.364668
where:
bonds (distance) C4'-P energy: -30.891
bonds (distance) P-C4' energy: -31.770
flat angles C4'-P-C4' energy: -34.128
flat angles P-C4'-P energy: -19.551
tors. eta vs tors. theta energy: -35.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -476.384331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.384331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.384331 (E_RNA)
where:
Base-Base interactions energy: -336.236
where: short stacking energy: -138.647
Base-Backbone interact. energy: -0.660
local terms energy: -139.488813
where:
bonds (distance) C4'-P energy: -23.199
bonds (distance) P-C4' energy: -30.170
flat angles C4'-P-C4' energy: -27.574
flat angles P-C4'-P energy: -19.246
tors. eta vs tors. theta energy: -39.300
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: 3
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -459.339079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.339079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.339079 (E_RNA)
where:
Base-Base interactions energy: -318.528
where: short stacking energy: -138.459
Base-Backbone interact. energy: -0.301
local terms energy: -140.510228
where:
bonds (distance) C4'-P energy: -19.771
bonds (distance) P-C4' energy: -26.525
flat angles C4'-P-C4' energy: -31.734
flat angles P-C4'-P energy: -18.702
tors. eta vs tors. theta energy: -43.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -399.134353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.134353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.134353 (E_RNA)
where:
Base-Base interactions energy: -280.544
where: short stacking energy: -121.625
Base-Backbone interact. energy: -0.270
local terms energy: -118.320373
where:
bonds (distance) C4'-P energy: -26.179
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -20.947
flat angles P-C4'-P energy: -18.599
tors. eta vs tors. theta energy: -30.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -394.901116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.901116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.901116 (E_RNA)
where:
Base-Base interactions energy: -255.592
where: short stacking energy: -122.552
Base-Backbone interact. energy: -0.048
local terms energy: -139.261039
where:
bonds (distance) C4'-P energy: -28.416
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -30.078
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: -37.669
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: 8
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -327.105766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.105766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.105766 (E_RNA)
where:
Base-Base interactions energy: -209.147
where: short stacking energy: -98.786
Base-Backbone interact. energy: -0.696
local terms energy: -117.263376
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -31.049
flat angles C4'-P-C4' energy: -24.528
flat angles P-C4'-P energy: -15.696
tors. eta vs tors. theta energy: -26.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -215.249815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.249815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.249815 (E_RNA)
where:
Base-Base interactions energy: -112.512
where: short stacking energy: -52.692
Base-Backbone interact. energy: -0.400
local terms energy: -102.337212
where:
bonds (distance) C4'-P energy: -27.647
bonds (distance) P-C4' energy: -32.123
flat angles C4'-P-C4' energy: -22.376
flat angles P-C4'-P energy: -19.235
tors. eta vs tors. theta energy: -0.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -222.189358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.189358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.189358 (E_RNA)
where:
Base-Base interactions energy: -131.487
where: short stacking energy: -74.134
Base-Backbone interact. energy: 0.736
local terms energy: -91.437629
where:
bonds (distance) C4'-P energy: -21.463
bonds (distance) P-C4' energy: -26.731
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -206.160056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.160056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.160056 (E_RNA)
where:
Base-Base interactions energy: -122.262
where: short stacking energy: -53.944
Base-Backbone interact. energy: 0.721
local terms energy: -84.618580
where:
bonds (distance) C4'-P energy: -20.393
bonds (distance) P-C4' energy: -23.837
flat angles C4'-P-C4' energy: -24.153
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -4.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -508.561980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.561980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.561980 (E_RNA)
where:
Base-Base interactions energy: -349.985
where: short stacking energy: -146.681
Base-Backbone interact. energy: -1.950
local terms energy: -156.627319
where:
bonds (distance) C4'-P energy: -31.754
bonds (distance) P-C4' energy: -31.832
flat angles C4'-P-C4' energy: -31.654
flat angles P-C4'-P energy: -20.013
tors. eta vs tors. theta energy: -41.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -486.389322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.389322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.389322 (E_RNA)
where:
Base-Base interactions energy: -338.439
where: short stacking energy: -146.826
Base-Backbone interact. energy: -0.477
local terms energy: -147.473522
where:
bonds (distance) C4'-P energy: -24.670
bonds (distance) P-C4' energy: -24.950
flat angles C4'-P-C4' energy: -29.933
flat angles P-C4'-P energy: -26.691
tors. eta vs tors. theta energy: -41.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -468.084329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.084329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.084329 (E_RNA)
where:
Base-Base interactions energy: -317.109
where: short stacking energy: -153.276
Base-Backbone interact. energy: -0.737
local terms energy: -150.237620
where:
bonds (distance) C4'-P energy: -27.332
bonds (distance) P-C4' energy: -25.012
flat angles C4'-P-C4' energy: -30.846
flat angles P-C4'-P energy: -21.717
tors. eta vs tors. theta energy: -45.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -459.725390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.725390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.725390 (E_RNA)
where:
Base-Base interactions energy: -324.447
where: short stacking energy: -130.046
Base-Backbone interact. energy: -0.312
local terms energy: -134.966703
where:
bonds (distance) C4'-P energy: -22.558
bonds (distance) P-C4' energy: -30.687
flat angles C4'-P-C4' energy: -30.506
flat angles P-C4'-P energy: -17.256
tors. eta vs tors. theta energy: -33.960
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: 5
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -450.997614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.997614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.997614 (E_RNA)
where:
Base-Base interactions energy: -312.203
where: short stacking energy: -136.828
Base-Backbone interact. energy: -0.014
local terms energy: -138.781263
where:
bonds (distance) C4'-P energy: -24.157
bonds (distance) P-C4' energy: -25.046
flat angles C4'-P-C4' energy: -27.175
flat angles P-C4'-P energy: -24.840
tors. eta vs tors. theta energy: -37.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -385.328834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.328834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.328834 (E_RNA)
where:
Base-Base interactions energy: -254.165
where: short stacking energy: -110.585
Base-Backbone interact. energy: -0.806
local terms energy: -130.357587
where:
bonds (distance) C4'-P energy: -25.582
bonds (distance) P-C4' energy: -27.210
flat angles C4'-P-C4' energy: -26.566
flat angles P-C4'-P energy: -19.551
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: 7, replica: 8
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -323.761111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.761111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.761111 (E_RNA)
where:
Base-Base interactions energy: -213.023
where: short stacking energy: -89.630
Base-Backbone interact. energy: -0.575
local terms energy: -110.162453
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -24.516
flat angles C4'-P-C4' energy: -27.016
flat angles P-C4'-P energy: -22.273
tors. eta vs tors. theta energy: -19.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -226.147288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.147288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.147288 (E_RNA)
where:
Base-Base interactions energy: -122.270
where: short stacking energy: -67.735
Base-Backbone interact. energy: 0.299
local terms energy: -104.175855
where:
bonds (distance) C4'-P energy: -27.228
bonds (distance) P-C4' energy: -29.417
flat angles C4'-P-C4' energy: -25.445
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -11.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -240.099771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.099771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.099771 (E_RNA)
where:
Base-Base interactions energy: -157.574
where: short stacking energy: -82.057
Base-Backbone interact. energy: -0.557
local terms energy: -81.968683
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -33.204
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -7.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -207.789636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.789636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.789636 (E_RNA)
where:
Base-Base interactions energy: -119.688
where: short stacking energy: -51.665
Base-Backbone interact. energy: -0.406
local terms energy: -87.695038
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -28.318
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -11.665
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: 6
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -499.161596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.161596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.161596 (E_RNA)
where:
Base-Base interactions energy: -349.147
where: short stacking energy: -143.235
Base-Backbone interact. energy: -0.059
local terms energy: -149.955972
where:
bonds (distance) C4'-P energy: -26.864
bonds (distance) P-C4' energy: -30.556
flat angles C4'-P-C4' energy: -30.299
flat angles P-C4'-P energy: -20.036
tors. eta vs tors. theta energy: -42.200
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: 3
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -469.354307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.354307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.354307 (E_RNA)
where:
Base-Base interactions energy: -316.210
where: short stacking energy: -152.278
Base-Backbone interact. energy: -0.587
local terms energy: -152.557894
where:
bonds (distance) C4'-P energy: -26.511
bonds (distance) P-C4' energy: -26.570
flat angles C4'-P-C4' energy: -30.891
flat angles P-C4'-P energy: -23.605
tors. eta vs tors. theta energy: -44.981
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: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -483.176797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.176797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.176797 (E_RNA)
where:
Base-Base interactions energy: -340.776
where: short stacking energy: -147.993
Base-Backbone interact. energy: -0.081
local terms energy: -142.320755
where:
bonds (distance) C4'-P energy: -25.101
bonds (distance) P-C4' energy: -26.853
flat angles C4'-P-C4' energy: -32.513
flat angles P-C4'-P energy: -21.710
tors. eta vs tors. theta energy: -36.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -465.007600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.007600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.007600 (E_RNA)
where:
Base-Base interactions energy: -313.734
where: short stacking energy: -134.557
Base-Backbone interact. energy: -0.789
local terms energy: -150.484158
where:
bonds (distance) C4'-P energy: -25.781
bonds (distance) P-C4' energy: -28.484
flat angles C4'-P-C4' energy: -28.325
flat angles P-C4'-P energy: -24.191
tors. eta vs tors. theta energy: -43.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -424.668749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.668749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.668749 (E_RNA)
where:
Base-Base interactions energy: -288.684
where: short stacking energy: -117.945
Base-Backbone interact. energy: 1.258
local terms energy: -137.243572
where:
bonds (distance) C4'-P energy: -30.645
bonds (distance) P-C4' energy: -25.084
flat angles C4'-P-C4' energy: -26.281
flat angles P-C4'-P energy: -19.680
tors. eta vs tors. theta energy: -35.554
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: 6, replica: 2
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -356.559163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.559163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.559163 (E_RNA)
where:
Base-Base interactions energy: -245.620
where: short stacking energy: -105.853
Base-Backbone interact. energy: -0.485
local terms energy: -110.454359
where:
bonds (distance) C4'-P energy: -22.759
bonds (distance) P-C4' energy: -27.239
flat angles C4'-P-C4' energy: -27.777
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -15.522
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: 8
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -325.080271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.080271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.080271 (E_RNA)
where:
Base-Base interactions energy: -205.381
where: short stacking energy: -88.716
Base-Backbone interact. energy: -0.314
local terms energy: -119.384949
where:
bonds (distance) C4'-P energy: -30.452
bonds (distance) P-C4' energy: -28.617
flat angles C4'-P-C4' energy: -22.507
flat angles P-C4'-P energy: -20.501
tors. eta vs tors. theta energy: -17.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -253.702621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.702621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.702621 (E_RNA)
where:
Base-Base interactions energy: -156.456
where: short stacking energy: -69.118
Base-Backbone interact. energy: 0.817
local terms energy: -98.063514
where:
bonds (distance) C4'-P energy: -20.942
bonds (distance) P-C4' energy: -26.349
flat angles C4'-P-C4' energy: -24.334
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -11.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -213.564241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.564241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.564241 (E_RNA)
where:
Base-Base interactions energy: -121.274
where: short stacking energy: -57.791
Base-Backbone interact. energy: -0.235
local terms energy: -92.054680
where:
bonds (distance) C4'-P energy: -27.359
bonds (distance) P-C4' energy: -29.791
flat angles C4'-P-C4' energy: -22.265
flat angles P-C4'-P energy: -3.199
tors. eta vs tors. theta energy: -9.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -204.179567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.179567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.179567 (E_RNA)
where:
Base-Base interactions energy: -112.480
where: short stacking energy: -45.577
Base-Backbone interact. energy: -0.181
local terms energy: -91.518768
where:
bonds (distance) C4'-P energy: -28.658
bonds (distance) P-C4' energy: -20.108
flat angles C4'-P-C4' energy: -23.263
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -7.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -486.199511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.199511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.199511 (E_RNA)
where:
Base-Base interactions energy: -335.669
where: short stacking energy: -150.420
Base-Backbone interact. energy: -0.127
local terms energy: -150.403337
where:
bonds (distance) C4'-P energy: -23.755
bonds (distance) P-C4' energy: -29.796
flat angles C4'-P-C4' energy: -31.849
flat angles P-C4'-P energy: -20.859
tors. eta vs tors. theta energy: -44.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -489.876256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.876256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.876256 (E_RNA)
where:
Base-Base interactions energy: -347.804
where: short stacking energy: -141.590
Base-Backbone interact. energy: -0.048
local terms energy: -142.024046
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -26.957
flat angles C4'-P-C4' energy: -29.908
flat angles P-C4'-P energy: -23.999
tors. eta vs tors. theta energy: -39.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -493.406533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.406533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.406533 (E_RNA)
where:
Base-Base interactions energy: -342.596
where: short stacking energy: -150.447
Base-Backbone interact. energy: -0.727
local terms energy: -150.083329
where:
bonds (distance) C4'-P energy: -32.156
bonds (distance) P-C4' energy: -27.674
flat angles C4'-P-C4' energy: -26.787
flat angles P-C4'-P energy: -22.438
tors. eta vs tors. theta energy: -41.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -465.746582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.746582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.746582 (E_RNA)
where:
Base-Base interactions energy: -326.156
where: short stacking energy: -134.933
Base-Backbone interact. energy: -0.233
local terms energy: -139.357774
where:
bonds (distance) C4'-P energy: -26.783
bonds (distance) P-C4' energy: -26.003
flat angles C4'-P-C4' energy: -27.015
flat angles P-C4'-P energy: -25.172
tors. eta vs tors. theta energy: -34.385
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: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -440.427095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.427095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.427095 (E_RNA)
where:
Base-Base interactions energy: -314.406
where: short stacking energy: -132.970
Base-Backbone interact. energy: -0.618
local terms energy: -125.402837
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -27.127
flat angles C4'-P-C4' energy: -27.996
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -34.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -354.312133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.312133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.312133 (E_RNA)
where:
Base-Base interactions energy: -241.482
where: short stacking energy: -99.943
Base-Backbone interact. energy: -0.603
local terms energy: -112.227091
where:
bonds (distance) C4'-P energy: -27.088
bonds (distance) P-C4' energy: -30.339
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: -21.011
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: 8
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -346.971281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.971281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.971281 (E_RNA)
where:
Base-Base interactions energy: -230.180
where: short stacking energy: -115.609
Base-Backbone interact. energy: -0.010
local terms energy: -116.780785
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -24.453
flat angles P-C4'-P energy: -22.596
tors. eta vs tors. theta energy: -33.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -234.892009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.892009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.892009 (E_RNA)
where:
Base-Base interactions energy: -132.471
where: short stacking energy: -79.111
Base-Backbone interact. energy: 0.055
local terms energy: -102.475696
where:
bonds (distance) C4'-P energy: -25.092
bonds (distance) P-C4' energy: -24.145
flat angles C4'-P-C4' energy: -18.919
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -19.522
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: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -201.005263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.005263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.005263 (E_RNA)
where:
Base-Base interactions energy: -110.506
where: short stacking energy: -66.354
Base-Backbone interact. energy: -0.657
local terms energy: -89.842065
where:
bonds (distance) C4'-P energy: -22.220
bonds (distance) P-C4' energy: -22.892
flat angles C4'-P-C4' energy: -24.033
flat angles P-C4'-P energy: -17.529
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -194.240533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.240533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.240533 (E_RNA)
where:
Base-Base interactions energy: -90.677
where: short stacking energy: -46.024
Base-Backbone interact. energy: 0.109
local terms energy: -103.671988
where:
bonds (distance) C4'-P energy: -27.880
bonds (distance) P-C4' energy: -24.572
flat angles C4'-P-C4' energy: -24.943
flat angles P-C4'-P energy: -16.581
tors. eta vs tors. theta energy: -9.696
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: 3
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -481.623369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.623369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.623369 (E_RNA)
where:
Base-Base interactions energy: -331.083
where: short stacking energy: -145.190
Base-Backbone interact. energy: -0.172
local terms energy: -150.367833
where:
bonds (distance) C4'-P energy: -30.340
bonds (distance) P-C4' energy: -26.644
flat angles C4'-P-C4' energy: -30.235
flat angles P-C4'-P energy: -16.937
tors. eta vs tors. theta energy: -46.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -495.985090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.985090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.985090 (E_RNA)
where:
Base-Base interactions energy: -349.360
where: short stacking energy: -147.208
Base-Backbone interact. energy: -0.613
local terms energy: -146.012021
where:
bonds (distance) C4'-P energy: -23.721
bonds (distance) P-C4' energy: -29.961
flat angles C4'-P-C4' energy: -32.948
flat angles P-C4'-P energy: -21.963
tors. eta vs tors. theta energy: -37.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -466.364345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.364345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.364345 (E_RNA)
where:
Base-Base interactions energy: -340.997
where: short stacking energy: -131.262
Base-Backbone interact. energy: -0.101
local terms energy: -125.266744
where:
bonds (distance) C4'-P energy: -18.957
bonds (distance) P-C4' energy: -27.577
flat angles C4'-P-C4' energy: -29.103
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -35.869
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: 10
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -461.708098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.708098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.708098 (E_RNA)
where:
Base-Base interactions energy: -330.815
where: short stacking energy: -140.539
Base-Backbone interact. energy: -0.534
local terms energy: -130.359869
where:
bonds (distance) C4'-P energy: -18.896
bonds (distance) P-C4' energy: -30.741
flat angles C4'-P-C4' energy: -26.277
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -40.450
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: 1
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -447.122515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.122515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.122515 (E_RNA)
where:
Base-Base interactions energy: -320.446
where: short stacking energy: -123.883
Base-Backbone interact. energy: -0.875
local terms energy: -125.801837
where:
bonds (distance) C4'-P energy: -29.422
bonds (distance) P-C4' energy: -20.272
flat angles C4'-P-C4' energy: -29.785
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -33.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -382.066237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.066237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.066237 (E_RNA)
where:
Base-Base interactions energy: -249.049
where: short stacking energy: -123.994
Base-Backbone interact. energy: -0.059
local terms energy: -132.957753
where:
bonds (distance) C4'-P energy: -20.391
bonds (distance) P-C4' energy: -27.522
flat angles C4'-P-C4' energy: -29.570
flat angles P-C4'-P energy: -21.716
tors. eta vs tors. theta energy: -33.759
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: 2
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -321.788051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.788051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.788051 (E_RNA)
where:
Base-Base interactions energy: -201.120
where: short stacking energy: -98.829
Base-Backbone interact. energy: -1.188
local terms energy: -119.480053
where:
bonds (distance) C4'-P energy: -21.682
bonds (distance) P-C4' energy: -25.283
flat angles C4'-P-C4' energy: -25.004
flat angles P-C4'-P energy: -17.347
tors. eta vs tors. theta energy: -30.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -230.240382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.240382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.240382 (E_RNA)
where:
Base-Base interactions energy: -140.245
where: short stacking energy: -77.647
Base-Backbone interact. energy: 0.075
local terms energy: -90.070501
where:
bonds (distance) C4'-P energy: -21.235
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -22.139
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -11.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -288.518903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.518903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.518903 (E_RNA)
where:
Base-Base interactions energy: -202.076
where: short stacking energy: -73.868
Base-Backbone interact. energy: 2.880
local terms energy: -89.322930
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -20.670
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -16.561
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: 7
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -125.450241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.450241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.450241 (E_RNA)
where:
Base-Base interactions energy: -33.679
where: short stacking energy: -30.131
Base-Backbone interact. energy: -0.662
local terms energy: -91.109680
where:
bonds (distance) C4'-P energy: -30.577
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -27.592
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: 1.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -497.397375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.397375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.397375 (E_RNA)
where:
Base-Base interactions energy: -343.664
where: short stacking energy: -149.126
Base-Backbone interact. energy: -0.558
local terms energy: -153.175874
where:
bonds (distance) C4'-P energy: -27.790
bonds (distance) P-C4' energy: -30.329
flat angles C4'-P-C4' energy: -30.659
flat angles P-C4'-P energy: -24.697
tors. eta vs tors. theta energy: -39.701
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: 3
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -482.354835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.354835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.354835 (E_RNA)
where:
Base-Base interactions energy: -338.862
where: short stacking energy: -147.214
Base-Backbone interact. energy: -0.249
local terms energy: -143.243892
where:
bonds (distance) C4'-P energy: -22.809
bonds (distance) P-C4' energy: -26.938
flat angles C4'-P-C4' energy: -29.339
flat angles P-C4'-P energy: -18.717
tors. eta vs tors. theta energy: -45.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -470.226767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.226767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.226767 (E_RNA)
where:
Base-Base interactions energy: -321.144
where: short stacking energy: -132.742
Base-Backbone interact. energy: -1.593
local terms energy: -147.489998
where:
bonds (distance) C4'-P energy: -29.158
bonds (distance) P-C4' energy: -29.375
flat angles C4'-P-C4' energy: -32.205
flat angles P-C4'-P energy: -21.816
tors. eta vs tors. theta energy: -34.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -484.467929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.467929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.467929 (E_RNA)
where:
Base-Base interactions energy: -349.821
where: short stacking energy: -142.669
Base-Backbone interact. energy: -0.567
local terms energy: -134.079551
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -31.472
flat angles C4'-P-C4' energy: -28.354
flat angles P-C4'-P energy: -17.501
tors. eta vs tors. theta energy: -38.464
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: 8
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -387.081010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.081010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.081010 (E_RNA)
where:
Base-Base interactions energy: -251.269
where: short stacking energy: -119.226
Base-Backbone interact. energy: -0.694
local terms energy: -135.118536
where:
bonds (distance) C4'-P energy: -24.073
bonds (distance) P-C4' energy: -26.859
flat angles C4'-P-C4' energy: -26.876
flat angles P-C4'-P energy: -22.346
tors. eta vs tors. theta energy: -34.964
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: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -421.243213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.243213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.243213 (E_RNA)
where:
Base-Base interactions energy: -285.278
where: short stacking energy: -102.079
Base-Backbone interact. energy: 0.436
local terms energy: -136.400704
where:
bonds (distance) C4'-P energy: -29.678
bonds (distance) P-C4' energy: -29.497
flat angles C4'-P-C4' energy: -28.527
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -33.167
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: 2
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -330.749107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.749107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.749107 (E_RNA)
where:
Base-Base interactions energy: -216.710
where: short stacking energy: -94.321
Base-Backbone interact. energy: -0.484
local terms energy: -113.555768
where:
bonds (distance) C4'-P energy: -25.123
bonds (distance) P-C4' energy: -27.850
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -21.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -232.355947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.355947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.355947 (E_RNA)
where:
Base-Base interactions energy: -127.048
where: short stacking energy: -72.593
Base-Backbone interact. energy: -0.357
local terms energy: -104.951419
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -31.535
flat angles C4'-P-C4' energy: -28.093
flat angles P-C4'-P energy: -16.155
tors. eta vs tors. theta energy: -12.460
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: 9, replica: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -257.880319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.880319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.880319 (E_RNA)
where:
Base-Base interactions energy: -167.041
where: short stacking energy: -59.280
Base-Backbone interact. energy: -0.153
local terms energy: -90.686652
where:
bonds (distance) C4'-P energy: -29.953
bonds (distance) P-C4' energy: -25.780
flat angles C4'-P-C4' energy: -23.252
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -5.086
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: 7
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -156.372072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.372072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.372072 (E_RNA)
where:
Base-Base interactions energy: -72.424
where: short stacking energy: -41.660
Base-Backbone interact. energy: 1.365
local terms energy: -85.313106
where:
bonds (distance) C4'-P energy: -24.377
bonds (distance) P-C4' energy: -26.204
flat angles C4'-P-C4' energy: -21.385
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -2.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -506.594613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.594613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.594613 (E_RNA)
where:
Base-Base interactions energy: -355.086
where: short stacking energy: -154.035
Base-Backbone interact. energy: -0.655
local terms energy: -150.853377
where:
bonds (distance) C4'-P energy: -25.994
bonds (distance) P-C4' energy: -31.919
flat angles C4'-P-C4' energy: -29.412
flat angles P-C4'-P energy: -23.512
tors. eta vs tors. theta energy: -40.016
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: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -479.315624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.315624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.315624 (E_RNA)
where:
Base-Base interactions energy: -330.537
where: short stacking energy: -146.760
Base-Backbone interact. energy: -0.503
local terms energy: -148.275345
where:
bonds (distance) C4'-P energy: -27.897
bonds (distance) P-C4' energy: -24.146
flat angles C4'-P-C4' energy: -29.391
flat angles P-C4'-P energy: -24.014
tors. eta vs tors. theta energy: -42.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -463.483489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.483489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.483489 (E_RNA)
where:
Base-Base interactions energy: -325.649
where: short stacking energy: -130.295
Base-Backbone interact. energy: -0.628
local terms energy: -137.207040
where:
bonds (distance) C4'-P energy: -24.627
bonds (distance) P-C4' energy: -28.249
flat angles C4'-P-C4' energy: -28.222
flat angles P-C4'-P energy: -21.212
tors. eta vs tors. theta energy: -34.896
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: 6
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -458.017422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.017422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.017422 (E_RNA)
where:
Base-Base interactions energy: -321.651
where: short stacking energy: -129.121
Base-Backbone interact. energy: 0.691
local terms energy: -137.056831
where:
bonds (distance) C4'-P energy: -24.794
bonds (distance) P-C4' energy: -30.865
flat angles C4'-P-C4' energy: -23.586
flat angles P-C4'-P energy: -18.703
tors. eta vs tors. theta energy: -39.108
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: 8
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -388.172606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.172606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.172606 (E_RNA)
where:
Base-Base interactions energy: -255.084
where: short stacking energy: -126.175
Base-Backbone interact. energy: 0.140
local terms energy: -133.228180
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -24.657
flat angles C4'-P-C4' energy: -32.052
flat angles P-C4'-P energy: -22.935
tors. eta vs tors. theta energy: -35.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -417.972905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.972905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.972905 (E_RNA)
where:
Base-Base interactions energy: -286.986
where: short stacking energy: -106.963
Base-Backbone interact. energy: -0.592
local terms energy: -130.394764
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -29.745
flat angles C4'-P-C4' energy: -25.103
flat angles P-C4'-P energy: -23.674
tors. eta vs tors. theta energy: -30.094
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: 7, replica: 2
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -316.359956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.359956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.359956 (E_RNA)
where:
Base-Base interactions energy: -199.843
where: short stacking energy: -93.346
Base-Backbone interact. energy: -0.847
local terms energy: -115.670144
where:
bonds (distance) C4'-P energy: -24.411
bonds (distance) P-C4' energy: -29.348
flat angles C4'-P-C4' energy: -21.172
flat angles P-C4'-P energy: -20.414
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: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -246.930450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.930450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.930450 (E_RNA)
where:
Base-Base interactions energy: -165.543
where: short stacking energy: -71.092
Base-Backbone interact. energy: 3.758
local terms energy: -85.145332
where:
bonds (distance) C4'-P energy: -23.676
bonds (distance) P-C4' energy: -27.758
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -6.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -208.259257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.259257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.259257 (E_RNA)
where:
Base-Base interactions energy: -107.373
where: short stacking energy: -54.859
Base-Backbone interact. energy: -0.375
local terms energy: -100.510830
where:
bonds (distance) C4'-P energy: -22.056
bonds (distance) P-C4' energy: -33.174
flat angles C4'-P-C4' energy: -22.287
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -5.949
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: 7
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -126.408077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.408077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.408077 (E_RNA)
where:
Base-Base interactions energy: -42.122
where: short stacking energy: -38.774
Base-Backbone interact. energy: -0.529
local terms energy: -83.757191
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -22.384
flat angles C4'-P-C4' energy: -26.512
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -2.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -510.633788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.633788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.633788 (E_RNA)
where:
Base-Base interactions energy: -356.835
where: short stacking energy: -158.558
Base-Backbone interact. energy: -0.069
local terms energy: -153.729364
where:
bonds (distance) C4'-P energy: -27.298
bonds (distance) P-C4' energy: -31.514
flat angles C4'-P-C4' energy: -31.795
flat angles P-C4'-P energy: -18.655
tors. eta vs tors. theta energy: -44.468
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: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -474.414858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.414858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.414858 (E_RNA)
where:
Base-Base interactions energy: -317.933
where: short stacking energy: -150.002
Base-Backbone interact. energy: -0.011
local terms energy: -156.470351
where:
bonds (distance) C4'-P energy: -26.777
bonds (distance) P-C4' energy: -29.229
flat angles C4'-P-C4' energy: -33.258
flat angles P-C4'-P energy: -21.574
tors. eta vs tors. theta energy: -45.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -465.880398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.880398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.880398 (E_RNA)
where:
Base-Base interactions energy: -322.184
where: short stacking energy: -131.249
Base-Backbone interact. energy: -0.405
local terms energy: -143.291381
where:
bonds (distance) C4'-P energy: -28.263
bonds (distance) P-C4' energy: -29.450
flat angles C4'-P-C4' energy: -25.861
flat angles P-C4'-P energy: -24.034
tors. eta vs tors. theta energy: -35.684
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: 10
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -464.645108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.645108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.645108 (E_RNA)
where:
Base-Base interactions energy: -319.737
where: short stacking energy: -136.912
Base-Backbone interact. energy: -0.651
local terms energy: -144.256233
where:
bonds (distance) C4'-P energy: -26.621
bonds (distance) P-C4' energy: -30.437
flat angles C4'-P-C4' energy: -30.597
flat angles P-C4'-P energy: -17.922
tors. eta vs tors. theta energy: -38.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -399.503587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.503587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.503587 (E_RNA)
where:
Base-Base interactions energy: -273.293
where: short stacking energy: -112.102
Base-Backbone interact. energy: 0.692
local terms energy: -126.903190
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -29.150
flat angles C4'-P-C4' energy: -31.240
flat angles P-C4'-P energy: -13.272
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: 6, replica: 8
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -383.515711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.515711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.515711 (E_RNA)
where:
Base-Base interactions energy: -243.132
where: short stacking energy: -119.748
Base-Backbone interact. energy: -0.791
local terms energy: -139.592443
where:
bonds (distance) C4'-P energy: -28.252
bonds (distance) P-C4' energy: -25.647
flat angles C4'-P-C4' energy: -31.553
flat angles P-C4'-P energy: -21.452
tors. eta vs tors. theta energy: -32.690
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: 2
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -311.681485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.681485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.681485 (E_RNA)
where:
Base-Base interactions energy: -204.693
where: short stacking energy: -94.279
Base-Backbone interact. energy: 1.370
local terms energy: -108.358089
where:
bonds (distance) C4'-P energy: -20.585
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -28.590
flat angles P-C4'-P energy: -18.122
tors. eta vs tors. theta energy: -19.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -346.847906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.847906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.847906 (E_RNA)
where:
Base-Base interactions energy: -232.180
where: short stacking energy: -100.925
Base-Backbone interact. energy: 0.086
local terms energy: -114.753657
where:
bonds (distance) C4'-P energy: -25.139
bonds (distance) P-C4' energy: -26.166
flat angles C4'-P-C4' energy: -26.758
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -26.931
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: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -232.882339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.882339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.882339 (E_RNA)
where:
Base-Base interactions energy: -125.582
where: short stacking energy: -66.398
Base-Backbone interact. energy: -0.383
local terms energy: -106.917145
where:
bonds (distance) C4'-P energy: -29.841
bonds (distance) P-C4' energy: -24.807
flat angles C4'-P-C4' energy: -19.644
flat angles P-C4'-P energy: -19.868
tors. eta vs tors. theta energy: -12.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -134.316510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.316510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.316510 (E_RNA)
where:
Base-Base interactions energy: -66.583
where: short stacking energy: -50.283
Base-Backbone interact. energy: -0.554
local terms energy: -67.179485
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -23.628
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -4.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -505.162695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.162695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.162695 (E_RNA)
where:
Base-Base interactions energy: -354.161
where: short stacking energy: -154.849
Base-Backbone interact. energy: -0.600
local terms energy: -150.401477
where:
bonds (distance) C4'-P energy: -21.812
bonds (distance) P-C4' energy: -32.528
flat angles C4'-P-C4' energy: -27.732
flat angles P-C4'-P energy: -23.347
tors. eta vs tors. theta energy: -44.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -471.082946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.082946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.082946 (E_RNA)
where:
Base-Base interactions energy: -329.750
where: short stacking energy: -129.774
Base-Backbone interact. energy: -1.102
local terms energy: -140.230770
where:
bonds (distance) C4'-P energy: -24.269
bonds (distance) P-C4' energy: -29.488
flat angles C4'-P-C4' energy: -28.964
flat angles P-C4'-P energy: -18.483
tors. eta vs tors. theta energy: -39.027
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: 3
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -472.953971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.953971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.953971 (E_RNA)
where:
Base-Base interactions energy: -319.860
where: short stacking energy: -155.334
Base-Backbone interact. energy: -0.331
local terms energy: -152.763743
where:
bonds (distance) C4'-P energy: -23.257
bonds (distance) P-C4' energy: -29.427
flat angles C4'-P-C4' energy: -27.759
flat angles P-C4'-P energy: -23.029
tors. eta vs tors. theta energy: -49.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -468.256264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.256264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.256264 (E_RNA)
where:
Base-Base interactions energy: -324.300
where: short stacking energy: -131.430
Base-Backbone interact. energy: -0.671
local terms energy: -143.285056
where:
bonds (distance) C4'-P energy: -26.327
bonds (distance) P-C4' energy: -31.356
flat angles C4'-P-C4' energy: -27.991
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: -38.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -432.901409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.901409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.901409 (E_RNA)
where:
Base-Base interactions energy: -306.657
where: short stacking energy: -134.336
Base-Backbone interact. energy: -0.431
local terms energy: -125.813557
where:
bonds (distance) C4'-P energy: -25.887
bonds (distance) P-C4' energy: -19.835
flat angles C4'-P-C4' energy: -29.537
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: -34.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -385.193818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.193818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.193818 (E_RNA)
where:
Base-Base interactions energy: -268.450
where: short stacking energy: -135.675
Base-Backbone interact. energy: -1.644
local terms energy: -115.099537
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -25.900
flat angles P-C4'-P energy: -19.531
tors. eta vs tors. theta energy: -35.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -324.748494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.748494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.748494 (E_RNA)
where:
Base-Base interactions energy: -217.847
where: short stacking energy: -108.238
Base-Backbone interact. energy: 1.842
local terms energy: -108.743922
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -21.953
flat angles C4'-P-C4' energy: -26.130
flat angles P-C4'-P energy: -20.530
tors. eta vs tors. theta energy: -27.120
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: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -235.512386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.512386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.512386 (E_RNA)
where:
Base-Base interactions energy: -125.658
where: short stacking energy: -71.585
Base-Backbone interact. energy: 1.089
local terms energy: -110.943106
where:
bonds (distance) C4'-P energy: -25.257
bonds (distance) P-C4' energy: -30.787
flat angles C4'-P-C4' energy: -31.428
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -10.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -297.411341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.411341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.411341 (E_RNA)
where:
Base-Base interactions energy: -197.501
where: short stacking energy: -83.093
Base-Backbone interact. energy: -0.427
local terms energy: -99.482704
where:
bonds (distance) C4'-P energy: -26.269
bonds (distance) P-C4' energy: -25.122
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -16.889
tors. eta vs tors. theta energy: -12.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -172.041582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.041582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.041582 (E_RNA)
where:
Base-Base interactions energy: -81.246
where: short stacking energy: -51.531
Base-Backbone interact. energy: 0.267
local terms energy: -91.062259
where:
bonds (distance) C4'-P energy: -19.849
bonds (distance) P-C4' energy: -28.161
flat angles C4'-P-C4' energy: -26.129
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -1.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -509.712937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.712937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.712937 (E_RNA)
where:
Base-Base interactions energy: -359.267
where: short stacking energy: -165.672
Base-Backbone interact. energy: -0.758
local terms energy: -149.688275
where:
bonds (distance) C4'-P energy: -29.030
bonds (distance) P-C4' energy: -26.844
flat angles C4'-P-C4' energy: -29.320
flat angles P-C4'-P energy: -19.968
tors. eta vs tors. theta energy: -44.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -488.464618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.464618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.464618 (E_RNA)
where:
Base-Base interactions energy: -332.465
where: short stacking energy: -132.595
Base-Backbone interact. energy: -0.083
local terms energy: -155.915707
where:
bonds (distance) C4'-P energy: -29.811
bonds (distance) P-C4' energy: -30.504
flat angles C4'-P-C4' energy: -30.292
flat angles P-C4'-P energy: -18.548
tors. eta vs tors. theta energy: -46.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -459.249363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.249363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.249363 (E_RNA)
where:
Base-Base interactions energy: -317.449
where: short stacking energy: -138.387
Base-Backbone interact. energy: -0.632
local terms energy: -141.168502
where:
bonds (distance) C4'-P energy: -28.747
bonds (distance) P-C4' energy: -27.188
flat angles C4'-P-C4' energy: -31.667
flat angles P-C4'-P energy: -17.966
tors. eta vs tors. theta energy: -35.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -445.607837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.607837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.607837 (E_RNA)
where:
Base-Base interactions energy: -302.902
where: short stacking energy: -132.039
Base-Backbone interact. energy: -0.007
local terms energy: -142.698441
where:
bonds (distance) C4'-P energy: -24.723
bonds (distance) P-C4' energy: -29.239
flat angles C4'-P-C4' energy: -29.156
flat angles P-C4'-P energy: -18.222
tors. eta vs tors. theta energy: -41.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -381.229845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.229845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.229845 (E_RNA)
where:
Base-Base interactions energy: -251.457
where: short stacking energy: -118.045
Base-Backbone interact. energy: 2.307
local terms energy: -132.079798
where:
bonds (distance) C4'-P energy: -27.357
bonds (distance) P-C4' energy: -25.692
flat angles C4'-P-C4' energy: -26.931
flat angles P-C4'-P energy: -19.845
tors. eta vs tors. theta energy: -32.255
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: 6, replica: 1
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -413.579988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.579988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.579988 (E_RNA)
where:
Base-Base interactions energy: -291.326
where: short stacking energy: -112.852
Base-Backbone interact. energy: -1.995
local terms energy: -120.258887
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -27.617
flat angles P-C4'-P energy: -20.036
tors. eta vs tors. theta energy: -35.627
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: 7, replica: 2
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -329.400815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.400815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.400815 (E_RNA)
where:
Base-Base interactions energy: -213.755
where: short stacking energy: -98.664
Base-Backbone interact. energy: -0.866
local terms energy: -114.780181
where:
bonds (distance) C4'-P energy: -26.078
bonds (distance) P-C4' energy: -27.828
flat angles C4'-P-C4' energy: -26.114
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -24.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -236.179430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.179430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.179430 (E_RNA)
where:
Base-Base interactions energy: -124.608
where: short stacking energy: -69.014
Base-Backbone interact. energy: -0.691
local terms energy: -110.880360
where:
bonds (distance) C4'-P energy: -28.910
bonds (distance) P-C4' energy: -27.520
flat angles C4'-P-C4' energy: -22.232
flat angles P-C4'-P energy: -18.182
tors. eta vs tors. theta energy: -14.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -318.194069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.194069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.194069 (E_RNA)
where:
Base-Base interactions energy: -230.866
where: short stacking energy: -89.207
Base-Backbone interact. energy: -1.046
local terms energy: -86.281784
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -25.181
flat angles C4'-P-C4' energy: -27.550
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: -11.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -122.413029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.413029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.413029 (E_RNA)
where:
Base-Base interactions energy: -40.232
where: short stacking energy: -25.694
Base-Backbone interact. energy: -0.580
local terms energy: -81.601042
where:
bonds (distance) C4'-P energy: -27.456
bonds (distance) P-C4' energy: -25.963
flat angles C4'-P-C4' energy: -23.355
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: 8.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -523.348409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.348409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.348409 (E_RNA)
where:
Base-Base interactions energy: -356.939
where: short stacking energy: -161.869
Base-Backbone interact. energy: -2.677
local terms energy: -163.731712
where:
bonds (distance) C4'-P energy: -29.018
bonds (distance) P-C4' energy: -31.440
flat angles C4'-P-C4' energy: -33.521
flat angles P-C4'-P energy: -22.848
tors. eta vs tors. theta energy: -46.905
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: 10
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -483.420542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.420542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.420542 (E_RNA)
where:
Base-Base interactions energy: -331.865
where: short stacking energy: -143.245
Base-Backbone interact. energy: -0.051
local terms energy: -151.505041
where:
bonds (distance) C4'-P energy: -30.631
bonds (distance) P-C4' energy: -25.232
flat angles C4'-P-C4' energy: -28.597
flat angles P-C4'-P energy: -23.284
tors. eta vs tors. theta energy: -43.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -487.312241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.312241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.312241 (E_RNA)
where:
Base-Base interactions energy: -330.017
where: short stacking energy: -144.888
Base-Backbone interact. energy: 0.266
local terms energy: -157.561435
where:
bonds (distance) C4'-P energy: -29.248
bonds (distance) P-C4' energy: -26.031
flat angles C4'-P-C4' energy: -33.741
flat angles P-C4'-P energy: -19.695
tors. eta vs tors. theta energy: -48.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -459.941896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.941896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.941896 (E_RNA)
where:
Base-Base interactions energy: -313.513
where: short stacking energy: -153.638
Base-Backbone interact. energy: -0.637
local terms energy: -145.791361
where:
bonds (distance) C4'-P energy: -28.092
bonds (distance) P-C4' energy: -27.366
flat angles C4'-P-C4' energy: -33.356
flat angles P-C4'-P energy: -17.547
tors. eta vs tors. theta energy: -39.430
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: 8
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -386.103565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.103565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.103565 (E_RNA)
where:
Base-Base interactions energy: -254.514
where: short stacking energy: -119.390
Base-Backbone interact. energy: -0.446
local terms energy: -131.143324
where:
bonds (distance) C4'-P energy: -28.018
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -32.185
flat angles P-C4'-P energy: -18.253
tors. eta vs tors. theta energy: -32.744
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: 119
Temperature: 1.150000
Total energy: -418.178228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.178228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.178228 (E_RNA)
where:
Base-Base interactions energy: -283.271
where: short stacking energy: -116.598
Base-Backbone interact. energy: -1.214
local terms energy: -133.692860
where:
bonds (distance) C4'-P energy: -29.208
bonds (distance) P-C4' energy: -31.411
flat angles C4'-P-C4' energy: -23.880
flat angles P-C4'-P energy: -23.045
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: 7, replica: 2
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -321.905988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.905988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.905988 (E_RNA)
where:
Base-Base interactions energy: -205.636
where: short stacking energy: -100.508
Base-Backbone interact. energy: -0.542
local terms energy: -115.727681
where:
bonds (distance) C4'-P energy: -23.122
bonds (distance) P-C4' energy: -25.009
flat angles C4'-P-C4' energy: -31.691
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -22.498
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: 9
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -326.345951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.345951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.345951 (E_RNA)
where:
Base-Base interactions energy: -223.292
where: short stacking energy: -99.726
Base-Backbone interact. energy: -0.077
local terms energy: -102.977177
where:
bonds (distance) C4'-P energy: -25.906
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -23.307
flat angles P-C4'-P energy: -15.215
tors. eta vs tors. theta energy: -21.099
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: 4
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -194.102508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.102508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.102508 (E_RNA)
where:
Base-Base interactions energy: -113.412
where: short stacking energy: -60.348
Base-Backbone interact. energy: 3.745
local terms energy: -84.435345
where:
bonds (distance) C4'-P energy: -23.876
bonds (distance) P-C4' energy: -31.803
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: 2.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -135.201158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.201158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.201158 (E_RNA)
where:
Base-Base interactions energy: -42.774
where: short stacking energy: -40.901
Base-Backbone interact. energy: 1.892
local terms energy: -94.319778
where:
bonds (distance) C4'-P energy: -27.255
bonds (distance) P-C4' energy: -29.471
flat angles C4'-P-C4' energy: -22.013
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: 0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -476.312499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.312499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.312499 (E_RNA)
where:
Base-Base interactions energy: -328.180
where: short stacking energy: -144.573
Base-Backbone interact. energy: 1.837
local terms energy: -149.969157
where:
bonds (distance) C4'-P energy: -31.599
bonds (distance) P-C4' energy: -27.692
flat angles C4'-P-C4' energy: -31.419
flat angles P-C4'-P energy: -20.618
tors. eta vs tors. theta energy: -38.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -509.984621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.984621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.984621 (E_RNA)
where:
Base-Base interactions energy: -359.885
where: short stacking energy: -151.900
Base-Backbone interact. energy: -0.922
local terms energy: -149.178093
where:
bonds (distance) C4'-P energy: -24.991
bonds (distance) P-C4' energy: -28.120
flat angles C4'-P-C4' energy: -31.093
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: -44.298
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: 6
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -482.178072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.178072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.178072 (E_RNA)
where:
Base-Base interactions energy: -325.727
where: short stacking energy: -145.953
Base-Backbone interact. energy: -0.002
local terms energy: -156.448704
where:
bonds (distance) C4'-P energy: -29.879
bonds (distance) P-C4' energy: -29.808
flat angles C4'-P-C4' energy: -32.513
flat angles P-C4'-P energy: -20.764
tors. eta vs tors. theta energy: -43.485
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: 3
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -450.388893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.388893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.388893 (E_RNA)
where:
Base-Base interactions energy: -307.291
where: short stacking energy: -146.086
Base-Backbone interact. energy: 0.609
local terms energy: -143.706951
where:
bonds (distance) C4'-P energy: -26.611
bonds (distance) P-C4' energy: -31.132
flat angles C4'-P-C4' energy: -30.120
flat angles P-C4'-P energy: -19.156
tors. eta vs tors. theta energy: -36.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -423.482123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.482123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.482123 (E_RNA)
where:
Base-Base interactions energy: -288.186
where: short stacking energy: -123.758
Base-Backbone interact. energy: -0.522
local terms energy: -134.773938
where:
bonds (distance) C4'-P energy: -25.937
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -31.096
flat angles P-C4'-P energy: -19.088
tors. eta vs tors. theta energy: -36.404
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: 8
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -382.522361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.522361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.522361 (E_RNA)
where:
Base-Base interactions energy: -259.055
where: short stacking energy: -123.649
Base-Backbone interact. energy: -0.041
local terms energy: -123.426601
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -28.651
flat angles C4'-P-C4' energy: -26.674
flat angles P-C4'-P energy: -16.211
tors. eta vs tors. theta energy: -32.967
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: 9
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -345.607907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.607907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.607907 (E_RNA)
where:
Base-Base interactions energy: -250.333
where: short stacking energy: -111.176
Base-Backbone interact. energy: -0.317
local terms energy: -94.958096
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -24.708
flat angles P-C4'-P energy: -14.953
tors. eta vs tors. theta energy: -22.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -294.902797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.902797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.902797 (E_RNA)
where:
Base-Base interactions energy: -192.602
where: short stacking energy: -98.897
Base-Backbone interact. energy: 1.830
local terms energy: -104.130908
where:
bonds (distance) C4'-P energy: -21.059
bonds (distance) P-C4' energy: -25.350
flat angles C4'-P-C4' energy: -24.330
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -17.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -218.567248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.567248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.567248 (E_RNA)
where:
Base-Base interactions energy: -117.383
where: short stacking energy: -68.441
Base-Backbone interact. energy: 0.713
local terms energy: -101.897160
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -30.486
flat angles C4'-P-C4' energy: -27.377
flat angles P-C4'-P energy: -13.742
tors. eta vs tors. theta energy: -13.157
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: 7
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -134.416202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.416202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.416202 (E_RNA)
where:
Base-Base interactions energy: -49.235
where: short stacking energy: -39.655
Base-Backbone interact. energy: -1.005
local terms energy: -84.176682
where:
bonds (distance) C4'-P energy: -21.071
bonds (distance) P-C4' energy: -26.515
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: -4.550
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: 10
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -487.554050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.554050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.554050 (E_RNA)
where:
Base-Base interactions energy: -342.220
where: short stacking energy: -142.596
Base-Backbone interact. energy: -0.388
local terms energy: -144.945584
where:
bonds (distance) C4'-P energy: -26.732
bonds (distance) P-C4' energy: -26.716
flat angles C4'-P-C4' energy: -30.025
flat angles P-C4'-P energy: -25.321
tors. eta vs tors. theta energy: -36.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -512.072987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.072987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.072987 (E_RNA)
where:
Base-Base interactions energy: -363.498
where: short stacking energy: -153.642
Base-Backbone interact. energy: 1.253
local terms energy: -149.828091
where:
bonds (distance) C4'-P energy: -26.370
bonds (distance) P-C4' energy: -30.731
flat angles C4'-P-C4' energy: -29.427
flat angles P-C4'-P energy: -20.390
tors. eta vs tors. theta energy: -42.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -489.807391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.807391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.807391 (E_RNA)
where:
Base-Base interactions energy: -349.032
where: short stacking energy: -147.820
Base-Backbone interact. energy: -0.678
local terms energy: -140.097215
where:
bonds (distance) C4'-P energy: -26.240
bonds (distance) P-C4' energy: -32.860
flat angles C4'-P-C4' energy: -25.008
flat angles P-C4'-P energy: -19.179
tors. eta vs tors. theta energy: -36.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -437.370521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.370521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.370521 (E_RNA)
where:
Base-Base interactions energy: -310.039
where: short stacking energy: -121.848
Base-Backbone interact. energy: -0.422
local terms energy: -126.909316
where:
bonds (distance) C4'-P energy: -20.087
bonds (distance) P-C4' energy: -29.044
flat angles C4'-P-C4' energy: -31.576
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -30.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -454.685137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.685137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.685137 (E_RNA)
where:
Base-Base interactions energy: -306.681
where: short stacking energy: -137.878
Base-Backbone interact. energy: 0.519
local terms energy: -148.523463
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -29.475
flat angles C4'-P-C4' energy: -32.192
flat angles P-C4'-P energy: -23.539
tors. eta vs tors. theta energy: -43.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -337.496227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.496227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.496227 (E_RNA)
where:
Base-Base interactions energy: -210.152
where: short stacking energy: -108.854
Base-Backbone interact. energy: -1.402
local terms energy: -125.942857
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -26.649
flat angles C4'-P-C4' energy: -29.166
flat angles P-C4'-P energy: -25.436
tors. eta vs tors. theta energy: -25.482
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: 7, replica: 9
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -353.613503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.613503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.613503 (E_RNA)
where:
Base-Base interactions energy: -243.538
where: short stacking energy: -96.730
Base-Backbone interact. energy: -0.377
local terms energy: -109.698383
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -30.291
flat angles C4'-P-C4' energy: -21.947
flat angles P-C4'-P energy: -20.544
tors. eta vs tors. theta energy: -21.058
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: 2
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -268.782779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.782779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.782779 (E_RNA)
where:
Base-Base interactions energy: -174.394
where: short stacking energy: -76.943
Base-Backbone interact. energy: -0.039
local terms energy: -94.349721
where:
bonds (distance) C4'-P energy: -29.408
bonds (distance) P-C4' energy: -20.046
flat angles C4'-P-C4' energy: -20.453
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: -9.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -221.839293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.839293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.839293 (E_RNA)
where:
Base-Base interactions energy: -125.531
where: short stacking energy: -66.718
Base-Backbone interact. energy: -1.210
local terms energy: -95.097834
where:
bonds (distance) C4'-P energy: -26.457
bonds (distance) P-C4' energy: -25.023
flat angles C4'-P-C4' energy: -18.986
flat angles P-C4'-P energy: -15.511
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: 10, replica: 7
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -150.499340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.499340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.499340 (E_RNA)
where:
Base-Base interactions energy: -66.983
where: short stacking energy: -47.849
Base-Backbone interact. energy: -0.038
local terms energy: -83.478332
where:
bonds (distance) C4'-P energy: -26.002
bonds (distance) P-C4' energy: -21.018
flat angles C4'-P-C4' energy: -20.978
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -4.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -482.435257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.435257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.435257 (E_RNA)
where:
Base-Base interactions energy: -335.456
where: short stacking energy: -143.147
Base-Backbone interact. energy: -0.591
local terms energy: -146.387984
where:
bonds (distance) C4'-P energy: -29.928
bonds (distance) P-C4' energy: -30.757
flat angles C4'-P-C4' energy: -26.918
flat angles P-C4'-P energy: -20.386
tors. eta vs tors. theta energy: -38.398
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: 2, replica: 5
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -522.954807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.954807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.954807 (E_RNA)
where:
Base-Base interactions energy: -362.662
where: short stacking energy: -150.373
Base-Backbone interact. energy: -0.249
local terms energy: -160.043661
where:
bonds (distance) C4'-P energy: -29.241
bonds (distance) P-C4' energy: -31.742
flat angles C4'-P-C4' energy: -30.231
flat angles P-C4'-P energy: -23.955
tors. eta vs tors. theta energy: -44.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -497.140754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.140754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.140754 (E_RNA)
where:
Base-Base interactions energy: -345.046
where: short stacking energy: -154.495
Base-Backbone interact. energy: -0.008
local terms energy: -152.086720
where:
bonds (distance) C4'-P energy: -28.303
bonds (distance) P-C4' energy: -26.693
flat angles C4'-P-C4' energy: -29.907
flat angles P-C4'-P energy: -25.187
tors. eta vs tors. theta energy: -41.997
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: 1
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -446.221879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.221879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.221879 (E_RNA)
where:
Base-Base interactions energy: -323.007
where: short stacking energy: -130.715
Base-Backbone interact. energy: 0.077
local terms energy: -123.291835
where:
bonds (distance) C4'-P energy: -21.917
bonds (distance) P-C4' energy: -20.153
flat angles C4'-P-C4' energy: -23.231
flat angles P-C4'-P energy: -19.301
tors. eta vs tors. theta energy: -38.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -451.642028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.642028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.642028 (E_RNA)
where:
Base-Base interactions energy: -306.658
where: short stacking energy: -142.200
Base-Backbone interact. energy: -0.043
local terms energy: -144.941044
where:
bonds (distance) C4'-P energy: -28.919
bonds (distance) P-C4' energy: -21.674
flat angles C4'-P-C4' energy: -25.298
flat angles P-C4'-P energy: -22.628
tors. eta vs tors. theta energy: -46.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -344.255851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.255851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.255851 (E_RNA)
where:
Base-Base interactions energy: -208.175
where: short stacking energy: -106.442
Base-Backbone interact. energy: -1.743
local terms energy: -134.338127
where:
bonds (distance) C4'-P energy: -25.499
bonds (distance) P-C4' energy: -28.284
flat angles C4'-P-C4' energy: -30.144
flat angles P-C4'-P energy: -20.369
tors. eta vs tors. theta energy: -30.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -375.902996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.902996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.902996 (E_RNA)
where:
Base-Base interactions energy: -253.861
where: short stacking energy: -108.198
Base-Backbone interact. energy: 1.482
local terms energy: -123.524185
where:
bonds (distance) C4'-P energy: -26.868
bonds (distance) P-C4' energy: -28.424
flat angles C4'-P-C4' energy: -26.410
flat angles P-C4'-P energy: -19.077
tors. eta vs tors. theta energy: -22.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -226.146967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.146967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.146967 (E_RNA)
where:
Base-Base interactions energy: -122.996
where: short stacking energy: -71.769
Base-Backbone interact. energy: -0.445
local terms energy: -102.705697
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -27.213
flat angles C4'-P-C4' energy: -26.262
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -19.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -197.903394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.903394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.903394 (E_RNA)
where:
Base-Base interactions energy: -97.224
where: short stacking energy: -49.074
Base-Backbone interact. energy: -0.392
local terms energy: -100.287291
where:
bonds (distance) C4'-P energy: -24.377
bonds (distance) P-C4' energy: -30.446
flat angles C4'-P-C4' energy: -20.920
flat angles P-C4'-P energy: -17.310
tors. eta vs tors. theta energy: -7.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -198.136433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.136433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.136433 (E_RNA)
where:
Base-Base interactions energy: -111.303
where: short stacking energy: -65.921
Base-Backbone interact. energy: -1.015
local terms energy: -85.817813
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -23.138
flat angles C4'-P-C4' energy: -19.606
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -12.068
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: 10
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -479.431619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.431619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.431619 (E_RNA)
where:
Base-Base interactions energy: -329.558
where: short stacking energy: -137.074
Base-Backbone interact. energy: -1.326
local terms energy: -148.548089
where:
bonds (distance) C4'-P energy: -26.862
bonds (distance) P-C4' energy: -27.661
flat angles C4'-P-C4' energy: -32.441
flat angles P-C4'-P energy: -21.909
tors. eta vs tors. theta energy: -39.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -524.560563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.560563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.560563 (E_RNA)
where:
Base-Base interactions energy: -369.668
where: short stacking energy: -157.192
Base-Backbone interact. energy: -0.042
local terms energy: -154.850518
where:
bonds (distance) C4'-P energy: -27.634
bonds (distance) P-C4' energy: -27.669
flat angles C4'-P-C4' energy: -31.533
flat angles P-C4'-P energy: -21.872
tors. eta vs tors. theta energy: -46.142
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: 6
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -498.047454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.047454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.047454 (E_RNA)
where:
Base-Base interactions energy: -341.625
where: short stacking energy: -147.135
Base-Backbone interact. energy: 0.172
local terms energy: -156.593552
where:
bonds (distance) C4'-P energy: -29.447
bonds (distance) P-C4' energy: -26.024
flat angles C4'-P-C4' energy: -33.674
flat angles P-C4'-P energy: -22.272
tors. eta vs tors. theta energy: -45.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -443.735684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.735684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.735684 (E_RNA)
where:
Base-Base interactions energy: -306.733
where: short stacking energy: -127.057
Base-Backbone interact. energy: 0.358
local terms energy: -137.360343
where:
bonds (distance) C4'-P energy: -28.954
bonds (distance) P-C4' energy: -28.268
flat angles C4'-P-C4' energy: -23.118
flat angles P-C4'-P energy: -21.121
tors. eta vs tors. theta energy: -35.899
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: 1
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -441.447354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.447354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.447354 (E_RNA)
where:
Base-Base interactions energy: -313.936
where: short stacking energy: -123.991
Base-Backbone interact. energy: -0.913
local terms energy: -126.598571
where:
bonds (distance) C4'-P energy: -24.731
bonds (distance) P-C4' energy: -23.831
flat angles C4'-P-C4' energy: -23.297
flat angles P-C4'-P energy: -18.170
tors. eta vs tors. theta energy: -36.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -379.393932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.393932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.393932 (E_RNA)
where:
Base-Base interactions energy: -259.017
where: short stacking energy: -99.164
Base-Backbone interact. energy: -1.360
local terms energy: -119.016509
where:
bonds (distance) C4'-P energy: -24.313
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -27.987
flat angles P-C4'-P energy: -19.492
tors. eta vs tors. theta energy: -25.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -360.241101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.241101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.241101 (E_RNA)
where:
Base-Base interactions energy: -244.323
where: short stacking energy: -130.667
Base-Backbone interact. energy: 0.023
local terms energy: -115.941075
where:
bonds (distance) C4'-P energy: -18.970
bonds (distance) P-C4' energy: -19.852
flat angles C4'-P-C4' energy: -25.503
flat angles P-C4'-P energy: -19.410
tors. eta vs tors. theta energy: -32.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -223.699981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.699981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.699981 (E_RNA)
where:
Base-Base interactions energy: -119.051
where: short stacking energy: -70.818
Base-Backbone interact. energy: -0.304
local terms energy: -104.344949
where:
bonds (distance) C4'-P energy: -26.665
bonds (distance) P-C4' energy: -27.640
flat angles C4'-P-C4' energy: -28.744
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -12.867
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: 2
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -215.404180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.404180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.404180 (E_RNA)
where:
Base-Base interactions energy: -127.069
where: short stacking energy: -62.514
Base-Backbone interact. energy: 0.665
local terms energy: -88.999787
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -24.859
flat angles C4'-P-C4' energy: -24.993
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -8.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -206.992925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.992925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.992925 (E_RNA)
where:
Base-Base interactions energy: -114.274
where: short stacking energy: -66.952
Base-Backbone interact. energy: -0.296
local terms energy: -92.422668
where:
bonds (distance) C4'-P energy: -19.337
bonds (distance) P-C4' energy: -26.741
flat angles C4'-P-C4' energy: -25.431
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -7.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -523.419664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.419664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.419664 (E_RNA)
where:
Base-Base interactions energy: -369.091
where: short stacking energy: -147.265
Base-Backbone interact. energy: -0.665
local terms energy: -153.663191
where:
bonds (distance) C4'-P energy: -20.962
bonds (distance) P-C4' energy: -29.489
flat angles C4'-P-C4' energy: -33.244
flat angles P-C4'-P energy: -22.640
tors. eta vs tors. theta energy: -47.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -465.981087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.981087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.981087 (E_RNA)
where:
Base-Base interactions energy: -320.932
where: short stacking energy: -136.256
Base-Backbone interact. energy: -0.237
local terms energy: -144.811243
where:
bonds (distance) C4'-P energy: -25.133
bonds (distance) P-C4' energy: -28.048
flat angles C4'-P-C4' energy: -32.965
flat angles P-C4'-P energy: -19.516
tors. eta vs tors. theta energy: -39.150
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: 6
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -482.910027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.910027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.910027 (E_RNA)
where:
Base-Base interactions energy: -330.792
where: short stacking energy: -140.678
Base-Backbone interact. energy: -0.003
local terms energy: -152.115519
where:
bonds (distance) C4'-P energy: -28.464
bonds (distance) P-C4' energy: -31.198
flat angles C4'-P-C4' energy: -30.107
flat angles P-C4'-P energy: -20.526
tors. eta vs tors. theta energy: -41.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -470.445042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.445042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.445042 (E_RNA)
where:
Base-Base interactions energy: -323.024
where: short stacking energy: -136.494
Base-Backbone interact. energy: -0.325
local terms energy: -147.096711
where:
bonds (distance) C4'-P energy: -25.220
bonds (distance) P-C4' energy: -23.008
flat angles C4'-P-C4' energy: -32.957
flat angles P-C4'-P energy: -25.301
tors. eta vs tors. theta energy: -40.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -429.349183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.349183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.349183 (E_RNA)
where:
Base-Base interactions energy: -308.897
where: short stacking energy: -125.167
Base-Backbone interact. energy: 0.327
local terms energy: -120.779317
where:
bonds (distance) C4'-P energy: -24.939
bonds (distance) P-C4' energy: -26.121
flat angles C4'-P-C4' energy: -27.402
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -31.473
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: 9
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -354.621562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.621562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.621562 (E_RNA)
where:
Base-Base interactions energy: -237.390
where: short stacking energy: -88.476
Base-Backbone interact. energy: -1.534
local terms energy: -115.697658
where:
bonds (distance) C4'-P energy: -24.561
bonds (distance) P-C4' energy: -27.596
flat angles C4'-P-C4' energy: -23.708
flat angles P-C4'-P energy: -18.061
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: 7, replica: 8
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -344.266941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.266941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.266941 (E_RNA)
where:
Base-Base interactions energy: -225.105
where: short stacking energy: -102.734
Base-Backbone interact. energy: 1.669
local terms energy: -120.830558
where:
bonds (distance) C4'-P energy: -28.272
bonds (distance) P-C4' energy: -25.347
flat angles C4'-P-C4' energy: -25.674
flat angles P-C4'-P energy: -16.229
tors. eta vs tors. theta energy: -25.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -233.324134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.324134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.324134 (E_RNA)
where:
Base-Base interactions energy: -125.925
where: short stacking energy: -61.852
Base-Backbone interact. energy: 0.702
local terms energy: -108.101783
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -28.706
flat angles C4'-P-C4' energy: -25.253
flat angles P-C4'-P energy: -19.958
tors. eta vs tors. theta energy: -15.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -204.470129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.470129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.470129 (E_RNA)
where:
Base-Base interactions energy: -107.024
where: short stacking energy: -51.403
Base-Backbone interact. energy: -0.317
local terms energy: -97.129374
where:
bonds (distance) C4'-P energy: -25.470
bonds (distance) P-C4' energy: -32.432
flat angles C4'-P-C4' energy: -22.402
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -205.076761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.076761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.076761 (E_RNA)
where:
Base-Base interactions energy: -112.560
where: short stacking energy: -63.438
Base-Backbone interact. energy: 1.663
local terms energy: -94.179114
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -25.428
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: -14.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -520.330763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.330763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.330763 (E_RNA)
where:
Base-Base interactions energy: -360.954
where: short stacking energy: -146.115
Base-Backbone interact. energy: -0.339
local terms energy: -159.037773
where:
bonds (distance) C4'-P energy: -31.384
bonds (distance) P-C4' energy: -28.738
flat angles C4'-P-C4' energy: -30.908
flat angles P-C4'-P energy: -22.138
tors. eta vs tors. theta energy: -45.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -498.478271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.478271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.478271 (E_RNA)
where:
Base-Base interactions energy: -348.059
where: short stacking energy: -141.792
Base-Backbone interact. energy: -0.256
local terms energy: -150.163261
where:
bonds (distance) C4'-P energy: -30.756
bonds (distance) P-C4' energy: -25.174
flat angles C4'-P-C4' energy: -32.425
flat angles P-C4'-P energy: -21.240
tors. eta vs tors. theta energy: -40.568
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: 10
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -466.362613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.362613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.362613 (E_RNA)
where:
Base-Base interactions energy: -309.636
where: short stacking energy: -130.860
Base-Backbone interact. energy: -0.177
local terms energy: -156.549734
where:
bonds (distance) C4'-P energy: -28.966
bonds (distance) P-C4' energy: -31.574
flat angles C4'-P-C4' energy: -30.192
flat angles P-C4'-P energy: -21.574
tors. eta vs tors. theta energy: -44.244
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: 3
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -463.138665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.138665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.138665 (E_RNA)
where:
Base-Base interactions energy: -318.960
where: short stacking energy: -129.771
Base-Backbone interact. energy: -0.228
local terms energy: -143.950463
where:
bonds (distance) C4'-P energy: -28.056
bonds (distance) P-C4' energy: -29.484
flat angles C4'-P-C4' energy: -27.923
flat angles P-C4'-P energy: -20.297
tors. eta vs tors. theta energy: -38.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -430.191198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.191198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.191198 (E_RNA)
where:
Base-Base interactions energy: -304.797
where: short stacking energy: -120.999
Base-Backbone interact. energy: -0.386
local terms energy: -125.007721
where:
bonds (distance) C4'-P energy: -23.901
bonds (distance) P-C4' energy: -28.043
flat angles C4'-P-C4' energy: -28.915
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -30.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -333.458110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.458110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.458110 (E_RNA)
where:
Base-Base interactions energy: -205.237
where: short stacking energy: -110.159
Base-Backbone interact. energy: -0.183
local terms energy: -128.037489
where:
bonds (distance) C4'-P energy: -26.061
bonds (distance) P-C4' energy: -29.504
flat angles C4'-P-C4' energy: -25.067
flat angles P-C4'-P energy: -16.596
tors. eta vs tors. theta energy: -30.809
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: 7, replica: 9
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -344.284117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.284117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.284117 (E_RNA)
where:
Base-Base interactions energy: -237.091
where: short stacking energy: -105.275
Base-Backbone interact. energy: 0.618
local terms energy: -107.810981
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -23.477
flat angles C4'-P-C4' energy: -28.681
flat angles P-C4'-P energy: -17.344
tors. eta vs tors. theta energy: -18.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -223.394260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.394260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.394260 (E_RNA)
where:
Base-Base interactions energy: -126.046
where: short stacking energy: -51.812
Base-Backbone interact. energy: -0.707
local terms energy: -96.641636
where:
bonds (distance) C4'-P energy: -26.503
bonds (distance) P-C4' energy: -27.384
flat angles C4'-P-C4' energy: -23.888
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -1.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -240.795911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.795911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.795911 (E_RNA)
where:
Base-Base interactions energy: -128.733
where: short stacking energy: -70.814
Base-Backbone interact. energy: -0.303
local terms energy: -111.760605
where:
bonds (distance) C4'-P energy: -25.217
bonds (distance) P-C4' energy: -24.362
flat angles C4'-P-C4' energy: -32.207
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -17.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -188.041784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.041784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.041784 (E_RNA)
where:
Base-Base interactions energy: -110.780
where: short stacking energy: -55.283
Base-Backbone interact. energy: -0.440
local terms energy: -76.822128
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -24.244
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -4.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -503.916544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.916544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.916544 (E_RNA)
where:
Base-Base interactions energy: -356.353
where: short stacking energy: -150.421
Base-Backbone interact. energy: -0.019
local terms energy: -147.544187
where:
bonds (distance) C4'-P energy: -28.645
bonds (distance) P-C4' energy: -25.674
flat angles C4'-P-C4' energy: -29.153
flat angles P-C4'-P energy: -24.988
tors. eta vs tors. theta energy: -39.084
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: 126
Temperature: 0.950000
Total energy: -509.575686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.575686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.575686 (E_RNA)
where:
Base-Base interactions energy: -362.396
where: short stacking energy: -145.296
Base-Backbone interact. energy: -0.039
local terms energy: -147.140724
where:
bonds (distance) C4'-P energy: -26.106
bonds (distance) P-C4' energy: -26.398
flat angles C4'-P-C4' energy: -31.317
flat angles P-C4'-P energy: -22.988
tors. eta vs tors. theta energy: -40.331
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: 10
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -480.336331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.336331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.336331 (E_RNA)
where:
Base-Base interactions energy: -337.542
where: short stacking energy: -152.218
Base-Backbone interact. energy: -0.039
local terms energy: -142.755489
where:
bonds (distance) C4'-P energy: -26.794
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -28.930
flat angles P-C4'-P energy: -16.810
tors. eta vs tors. theta energy: -42.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -456.822584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.822584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.822584 (E_RNA)
where:
Base-Base interactions energy: -313.032
where: short stacking energy: -138.473
Base-Backbone interact. energy: -0.211
local terms energy: -143.579842
where:
bonds (distance) C4'-P energy: -27.708
bonds (distance) P-C4' energy: -26.019
flat angles C4'-P-C4' energy: -33.040
flat angles P-C4'-P energy: -17.400
tors. eta vs tors. theta energy: -39.412
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: 1
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -426.411547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.411547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.411547 (E_RNA)
where:
Base-Base interactions energy: -297.993
where: short stacking energy: -120.194
Base-Backbone interact. energy: -0.230
local terms energy: -128.188566
where:
bonds (distance) C4'-P energy: -26.247
bonds (distance) P-C4' energy: -25.805
flat angles C4'-P-C4' energy: -29.830
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -35.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -335.151659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.151659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.151659 (E_RNA)
where:
Base-Base interactions energy: -214.830
where: short stacking energy: -98.684
Base-Backbone interact. energy: -0.366
local terms energy: -119.955205
where:
bonds (distance) C4'-P energy: -27.593
bonds (distance) P-C4' energy: -23.132
flat angles C4'-P-C4' energy: -25.609
flat angles P-C4'-P energy: -17.676
tors. eta vs tors. theta energy: -25.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -391.295985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.295985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.295985 (E_RNA)
where:
Base-Base interactions energy: -285.590
where: short stacking energy: -122.894
Base-Backbone interact. energy: -0.247
local terms energy: -105.458898
where:
bonds (distance) C4'-P energy: -22.747
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -24.675
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -28.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -258.020922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.020922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.020922 (E_RNA)
where:
Base-Base interactions energy: -155.870
where: short stacking energy: -85.529
Base-Backbone interact. energy: -0.193
local terms energy: -101.958051
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -30.792
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -15.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -202.519601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.519601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.519601 (E_RNA)
where:
Base-Base interactions energy: -103.283
where: short stacking energy: -55.202
Base-Backbone interact. energy: 0.099
local terms energy: -99.335125
where:
bonds (distance) C4'-P energy: -25.610
bonds (distance) P-C4' energy: -27.886
flat angles C4'-P-C4' energy: -26.521
flat angles P-C4'-P energy: -14.175
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: 10, replica: 7
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -256.002005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.002005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.002005 (E_RNA)
where:
Base-Base interactions energy: -146.116
where: short stacking energy: -62.852
Base-Backbone interact. energy: 0.903
local terms energy: -110.789185
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -24.284
flat angles C4'-P-C4' energy: -26.299
flat angles P-C4'-P energy: -20.643
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -507.422392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.422392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.422392 (E_RNA)
where:
Base-Base interactions energy: -346.799
where: short stacking energy: -150.474
Base-Backbone interact. energy: -1.395
local terms energy: -159.227896
where:
bonds (distance) C4'-P energy: -28.988
bonds (distance) P-C4' energy: -32.418
flat angles C4'-P-C4' energy: -33.722
flat angles P-C4'-P energy: -23.572
tors. eta vs tors. theta energy: -40.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -517.536613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.536613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.536613 (E_RNA)
where:
Base-Base interactions energy: -372.417
where: short stacking energy: -152.198
Base-Backbone interact. energy: -0.252
local terms energy: -144.867523
where:
bonds (distance) C4'-P energy: -26.987
bonds (distance) P-C4' energy: -19.173
flat angles C4'-P-C4' energy: -30.558
flat angles P-C4'-P energy: -23.034
tors. eta vs tors. theta energy: -45.115
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: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -472.288553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.288553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.288553 (E_RNA)
where:
Base-Base interactions energy: -327.267
where: short stacking energy: -140.295
Base-Backbone interact. energy: 0.453
local terms energy: -145.474609
where:
bonds (distance) C4'-P energy: -28.470
bonds (distance) P-C4' energy: -30.998
flat angles C4'-P-C4' energy: -28.835
flat angles P-C4'-P energy: -20.624
tors. eta vs tors. theta energy: -36.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -477.219408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.219408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.219408 (E_RNA)
where:
Base-Base interactions energy: -333.216
where: short stacking energy: -143.913
Base-Backbone interact. energy: -1.615
local terms energy: -142.388334
where:
bonds (distance) C4'-P energy: -22.552
bonds (distance) P-C4' energy: -26.299
flat angles C4'-P-C4' energy: -32.517
flat angles P-C4'-P energy: -22.764
tors. eta vs tors. theta energy: -38.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -405.401969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.401969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.401969 (E_RNA)
where:
Base-Base interactions energy: -283.112
where: short stacking energy: -119.224
Base-Backbone interact. energy: -0.936
local terms energy: -121.353971
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -24.770
flat angles C4'-P-C4' energy: -26.525
flat angles P-C4'-P energy: -19.631
tors. eta vs tors. theta energy: -32.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -405.187829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.187829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.187829 (E_RNA)
where:
Base-Base interactions energy: -274.361
where: short stacking energy: -126.923
Base-Backbone interact. energy: -2.129
local terms energy: -128.697383
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -23.900
flat angles C4'-P-C4' energy: -31.676
flat angles P-C4'-P energy: -22.140
tors. eta vs tors. theta energy: -33.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -317.604935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.604935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.604935 (E_RNA)
where:
Base-Base interactions energy: -204.110
where: short stacking energy: -96.435
Base-Backbone interact. energy: -1.776
local terms energy: -111.718904
where:
bonds (distance) C4'-P energy: -20.138
bonds (distance) P-C4' energy: -26.213
flat angles C4'-P-C4' energy: -25.930
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -22.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -244.161539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.161539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.161539 (E_RNA)
where:
Base-Base interactions energy: -149.960
where: short stacking energy: -78.657
Base-Backbone interact. energy: -0.874
local terms energy: -93.327333
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -27.617
flat angles C4'-P-C4' energy: -20.667
flat angles P-C4'-P energy: -20.884
tors. eta vs tors. theta energy: -7.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -213.677263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.677263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.677263 (E_RNA)
where:
Base-Base interactions energy: -112.845
where: short stacking energy: -72.492
Base-Backbone interact. energy: 2.388
local terms energy: -103.219357
where:
bonds (distance) C4'-P energy: -26.366
bonds (distance) P-C4' energy: -28.183
flat angles C4'-P-C4' energy: -21.333
flat angles P-C4'-P energy: -19.988
tors. eta vs tors. theta energy: -7.349
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: 7
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -244.208865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.208865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.208865 (E_RNA)
where:
Base-Base interactions energy: -161.849
where: short stacking energy: -67.531
Base-Backbone interact. energy: -0.311
local terms energy: -82.048094
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -25.815
flat angles C4'-P-C4' energy: -24.817
flat angles P-C4'-P energy: -4.306
tors. eta vs tors. theta energy: -11.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -527.652757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.652757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.652757 (E_RNA)
where:
Base-Base interactions energy: -376.260
where: short stacking energy: -154.496
Base-Backbone interact. energy: -0.043
local terms energy: -151.348941
where:
bonds (distance) C4'-P energy: -29.546
bonds (distance) P-C4' energy: -27.303
flat angles C4'-P-C4' energy: -28.915
flat angles P-C4'-P energy: -19.245
tors. eta vs tors. theta energy: -46.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -495.856484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.856484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.856484 (E_RNA)
where:
Base-Base interactions energy: -350.404
where: short stacking energy: -145.521
Base-Backbone interact. energy: -0.773
local terms energy: -144.679461
where:
bonds (distance) C4'-P energy: -24.678
bonds (distance) P-C4' energy: -28.457
flat angles C4'-P-C4' energy: -31.523
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -45.384
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: 3, replica: 3
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -492.165863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.165863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.165863 (E_RNA)
where:
Base-Base interactions energy: -342.111
where: short stacking energy: -137.434
Base-Backbone interact. energy: -0.206
local terms energy: -149.848720
where:
bonds (distance) C4'-P energy: -29.647
bonds (distance) P-C4' energy: -32.932
flat angles C4'-P-C4' energy: -31.078
flat angles P-C4'-P energy: -20.652
tors. eta vs tors. theta energy: -35.540
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: 10
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -460.979023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.979023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.979023 (E_RNA)
where:
Base-Base interactions energy: -319.186
where: short stacking energy: -131.691
Base-Backbone interact. energy: -0.166
local terms energy: -141.626484
where:
bonds (distance) C4'-P energy: -28.209
bonds (distance) P-C4' energy: -22.375
flat angles C4'-P-C4' energy: -30.594
flat angles P-C4'-P energy: -22.076
tors. eta vs tors. theta energy: -38.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -409.083963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.083963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.083963 (E_RNA)
where:
Base-Base interactions energy: -282.895
where: short stacking energy: -121.578
Base-Backbone interact. energy: -1.297
local terms energy: -124.892062
where:
bonds (distance) C4'-P energy: -24.909
bonds (distance) P-C4' energy: -26.904
flat angles C4'-P-C4' energy: -27.456
flat angles P-C4'-P energy: -17.792
tors. eta vs tors. theta energy: -27.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -397.840763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.840763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.840763 (E_RNA)
where:
Base-Base interactions energy: -266.629
where: short stacking energy: -121.789
Base-Backbone interact. energy: -0.189
local terms energy: -131.022724
where:
bonds (distance) C4'-P energy: -23.710
bonds (distance) P-C4' energy: -25.555
flat angles C4'-P-C4' energy: -27.457
flat angles P-C4'-P energy: -21.514
tors. eta vs tors. theta energy: -32.788
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: 7, replica: 4
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -278.378955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.378955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.378955 (E_RNA)
where:
Base-Base interactions energy: -172.065
where: short stacking energy: -91.936
Base-Backbone interact. energy: -0.304
local terms energy: -106.009981
where:
bonds (distance) C4'-P energy: -25.082
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -22.970
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -20.298
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: 8
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -310.359664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.359664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.359664 (E_RNA)
where:
Base-Base interactions energy: -204.432
where: short stacking energy: -87.394
Base-Backbone interact. energy: -0.188
local terms energy: -105.739933
where:
bonds (distance) C4'-P energy: -25.203
bonds (distance) P-C4' energy: -21.656
flat angles C4'-P-C4' energy: -23.317
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -23.531
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: 7
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -239.312284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.312284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.312284 (E_RNA)
where:
Base-Base interactions energy: -151.586
where: short stacking energy: -73.134
Base-Backbone interact. energy: -0.860
local terms energy: -86.865993
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -21.451
flat angles C4'-P-C4' energy: -22.322
flat angles P-C4'-P energy: -18.821
tors. eta vs tors. theta energy: -6.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -187.588595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.588595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.588595 (E_RNA)
where:
Base-Base interactions energy: -94.296
where: short stacking energy: -45.453
Base-Backbone interact. energy: 2.255
local terms energy: -95.547635
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -26.467
flat angles C4'-P-C4' energy: -25.766
flat angles P-C4'-P energy: -14.135
tors. eta vs tors. theta energy: -8.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -527.616546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.616546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.616546 (E_RNA)
where:
Base-Base interactions energy: -371.913
where: short stacking energy: -163.422
Base-Backbone interact. energy: -0.240
local terms energy: -155.463380
where:
bonds (distance) C4'-P energy: -30.076
bonds (distance) P-C4' energy: -24.652
flat angles C4'-P-C4' energy: -30.290
flat angles P-C4'-P energy: -21.588
tors. eta vs tors. theta energy: -48.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -493.702980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.702980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.702980 (E_RNA)
where:
Base-Base interactions energy: -342.194
where: short stacking energy: -143.076
Base-Backbone interact. energy: -2.076
local terms energy: -149.432752
where:
bonds (distance) C4'-P energy: -21.926
bonds (distance) P-C4' energy: -26.327
flat angles C4'-P-C4' energy: -31.048
flat angles P-C4'-P energy: -23.557
tors. eta vs tors. theta energy: -46.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -480.276900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.276900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.276900 (E_RNA)
where:
Base-Base interactions energy: -338.217
where: short stacking energy: -139.830
Base-Backbone interact. energy: -2.380
local terms energy: -139.679435
where:
bonds (distance) C4'-P energy: -28.644
bonds (distance) P-C4' energy: -24.827
flat angles C4'-P-C4' energy: -29.547
flat angles P-C4'-P energy: -18.810
tors. eta vs tors. theta energy: -37.852
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: 10
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -462.727403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.727403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.727403 (E_RNA)
where:
Base-Base interactions energy: -318.218
where: short stacking energy: -121.928
Base-Backbone interact. energy: -0.175
local terms energy: -144.334607
where:
bonds (distance) C4'-P energy: -27.324
bonds (distance) P-C4' energy: -32.432
flat angles C4'-P-C4' energy: -31.044
flat angles P-C4'-P energy: -21.431
tors. eta vs tors. theta energy: -32.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -402.335256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.335256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.335256 (E_RNA)
where:
Base-Base interactions energy: -271.375
where: short stacking energy: -108.232
Base-Backbone interact. energy: -0.685
local terms energy: -130.275518
where:
bonds (distance) C4'-P energy: -25.809
bonds (distance) P-C4' energy: -28.240
flat angles C4'-P-C4' energy: -33.860
flat angles P-C4'-P energy: -17.362
tors. eta vs tors. theta energy: -25.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -411.374790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.374790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.374790 (E_RNA)
where:
Base-Base interactions energy: -265.549
where: short stacking energy: -127.519
Base-Backbone interact. energy: -0.505
local terms energy: -145.321145
where:
bonds (distance) C4'-P energy: -25.190
bonds (distance) P-C4' energy: -26.386
flat angles C4'-P-C4' energy: -29.899
flat angles P-C4'-P energy: -23.879
tors. eta vs tors. theta energy: -39.966
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: 7, replica: 4
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -291.652296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.652296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.652296 (E_RNA)
where:
Base-Base interactions energy: -194.101
where: short stacking energy: -89.042
Base-Backbone interact. energy: -0.247
local terms energy: -97.304018
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -27.797
flat angles C4'-P-C4' energy: -22.155
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -18.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -351.354456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.354456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.354456 (E_RNA)
where:
Base-Base interactions energy: -225.907
where: short stacking energy: -103.803
Base-Backbone interact. energy: -0.234
local terms energy: -125.213434
where:
bonds (distance) C4'-P energy: -23.619
bonds (distance) P-C4' energy: -25.749
flat angles C4'-P-C4' energy: -29.123
flat angles P-C4'-P energy: -20.306
tors. eta vs tors. theta energy: -26.417
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: 7
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -227.838044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.838044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.838044 (E_RNA)
where:
Base-Base interactions energy: -142.773
where: short stacking energy: -62.654
Base-Backbone interact. energy: 0.344
local terms energy: -85.409557
where:
bonds (distance) C4'-P energy: -27.258
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -22.248
flat angles P-C4'-P energy: -11.314
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: 2
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -211.022847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.022847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.022847 (E_RNA)
where:
Base-Base interactions energy: -114.845
where: short stacking energy: -68.018
Base-Backbone interact. energy: -1.075
local terms energy: -95.102578
where:
bonds (distance) C4'-P energy: -28.179
bonds (distance) P-C4' energy: -24.271
flat angles C4'-P-C4' energy: -19.822
flat angles P-C4'-P energy: -14.029
tors. eta vs tors. theta energy: -8.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -497.492735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.492735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.492735 (E_RNA)
where:
Base-Base interactions energy: -342.796
where: short stacking energy: -141.852
Base-Backbone interact. energy: 0.560
local terms energy: -155.256229
where:
bonds (distance) C4'-P energy: -21.823
bonds (distance) P-C4' energy: -29.487
flat angles C4'-P-C4' energy: -33.311
flat angles P-C4'-P energy: -27.885
tors. eta vs tors. theta energy: -42.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -524.298353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.298353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.298353 (E_RNA)
where:
Base-Base interactions energy: -367.635
where: short stacking energy: -163.070
Base-Backbone interact. energy: -0.030
local terms energy: -156.632899
where:
bonds (distance) C4'-P energy: -32.445
bonds (distance) P-C4' energy: -32.219
flat angles C4'-P-C4' energy: -30.650
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -48.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -465.989634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.989634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.989634 (E_RNA)
where:
Base-Base interactions energy: -325.271
where: short stacking energy: -142.545
Base-Backbone interact. energy: -0.224
local terms energy: -140.493951
where:
bonds (distance) C4'-P energy: -21.619
bonds (distance) P-C4' energy: -28.697
flat angles C4'-P-C4' energy: -25.878
flat angles P-C4'-P energy: -23.306
tors. eta vs tors. theta energy: -40.994
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: 4, replica: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -451.157953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.157953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.157953 (E_RNA)
where:
Base-Base interactions energy: -312.196
where: short stacking energy: -129.033
Base-Backbone interact. energy: -0.288
local terms energy: -138.674033
where:
bonds (distance) C4'-P energy: -23.134
bonds (distance) P-C4' energy: -31.343
flat angles C4'-P-C4' energy: -26.101
flat angles P-C4'-P energy: -19.684
tors. eta vs tors. theta energy: -38.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -409.246206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.246206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.246206 (E_RNA)
where:
Base-Base interactions energy: -265.510
where: short stacking energy: -127.568
Base-Backbone interact. energy: -0.380
local terms energy: -143.356058
where:
bonds (distance) C4'-P energy: -24.676
bonds (distance) P-C4' energy: -31.030
flat angles C4'-P-C4' energy: -30.021
flat angles P-C4'-P energy: -21.438
tors. eta vs tors. theta energy: -36.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -364.671456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.671456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.671456 (E_RNA)
where:
Base-Base interactions energy: -243.206
where: short stacking energy: -105.965
Base-Backbone interact. energy: -0.308
local terms energy: -121.157156
where:
bonds (distance) C4'-P energy: -21.640
bonds (distance) P-C4' energy: -27.282
flat angles C4'-P-C4' energy: -28.868
flat angles P-C4'-P energy: -21.088
tors. eta vs tors. theta energy: -22.279
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: 7, replica: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -376.504726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.504726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.504726 (E_RNA)
where:
Base-Base interactions energy: -246.193
where: short stacking energy: -111.299
Base-Backbone interact. energy: -0.456
local terms energy: -129.855791
where:
bonds (distance) C4'-P energy: -27.211
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -32.529
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: -32.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -294.988131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.988131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.988131 (E_RNA)
where:
Base-Base interactions energy: -177.599
where: short stacking energy: -93.729
Base-Backbone interact. energy: -0.150
local terms energy: -117.239030
where:
bonds (distance) C4'-P energy: -25.688
bonds (distance) P-C4' energy: -27.927
flat angles C4'-P-C4' energy: -26.527
flat angles P-C4'-P energy: -17.975
tors. eta vs tors. theta energy: -19.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -184.476915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.476915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.476915 (E_RNA)
where:
Base-Base interactions energy: -102.295
where: short stacking energy: -55.636
Base-Backbone interact. energy: 0.580
local terms energy: -82.762894
where:
bonds (distance) C4'-P energy: -25.882
bonds (distance) P-C4' energy: -24.087
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -15.328
tors. eta vs tors. theta energy: -0.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -198.179200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.179200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.179200 (E_RNA)
where:
Base-Base interactions energy: -114.544
where: short stacking energy: -59.340
Base-Backbone interact. energy: -0.433
local terms energy: -83.202374
where:
bonds (distance) C4'-P energy: -19.904
bonds (distance) P-C4' energy: -28.206
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -19.026
tors. eta vs tors. theta energy: -4.704
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: 6
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -497.093094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.093094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.093094 (E_RNA)
where:
Base-Base interactions energy: -350.121
where: short stacking energy: -136.903
Base-Backbone interact. energy: -0.594
local terms energy: -146.377891
where:
bonds (distance) C4'-P energy: -30.714
bonds (distance) P-C4' energy: -27.881
flat angles C4'-P-C4' energy: -28.502
flat angles P-C4'-P energy: -25.888
tors. eta vs tors. theta energy: -33.393
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: 131
Temperature: 0.950000
Total energy: -518.616582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.616582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.616582 (E_RNA)
where:
Base-Base interactions energy: -362.360
where: short stacking energy: -150.142
Base-Backbone interact. energy: -0.102
local terms energy: -156.154397
where:
bonds (distance) C4'-P energy: -29.918
bonds (distance) P-C4' energy: -29.703
flat angles C4'-P-C4' energy: -29.655
flat angles P-C4'-P energy: -21.571
tors. eta vs tors. theta energy: -45.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -466.380267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.380267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.380267 (E_RNA)
where:
Base-Base interactions energy: -318.384
where: short stacking energy: -128.274
Base-Backbone interact. energy: -0.346
local terms energy: -147.650843
where:
bonds (distance) C4'-P energy: -30.716
bonds (distance) P-C4' energy: -27.678
flat angles C4'-P-C4' energy: -26.975
flat angles P-C4'-P energy: -24.003
tors. eta vs tors. theta energy: -38.279
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: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -447.289068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.289068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.289068 (E_RNA)
where:
Base-Base interactions energy: -304.645
where: short stacking energy: -140.977
Base-Backbone interact. energy: -1.113
local terms energy: -141.531296
where:
bonds (distance) C4'-P energy: -27.593
bonds (distance) P-C4' energy: -23.802
flat angles C4'-P-C4' energy: -28.976
flat angles P-C4'-P energy: -16.928
tors. eta vs tors. theta energy: -44.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -424.756524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.756524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.756524 (E_RNA)
where:
Base-Base interactions energy: -287.362
where: short stacking energy: -127.622
Base-Backbone interact. energy: -0.319
local terms energy: -137.075732
where:
bonds (distance) C4'-P energy: -28.441
bonds (distance) P-C4' energy: -23.195
flat angles C4'-P-C4' energy: -30.765
flat angles P-C4'-P energy: -17.716
tors. eta vs tors. theta energy: -36.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -386.676727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.676727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.676727 (E_RNA)
where:
Base-Base interactions energy: -256.363
where: short stacking energy: -116.261
Base-Backbone interact. energy: -0.769
local terms energy: -129.545229
where:
bonds (distance) C4'-P energy: -23.716
bonds (distance) P-C4' energy: -20.071
flat angles C4'-P-C4' energy: -33.178
flat angles P-C4'-P energy: -18.820
tors. eta vs tors. theta energy: -33.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -362.950345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.950345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.950345 (E_RNA)
where:
Base-Base interactions energy: -240.192
where: short stacking energy: -115.569
Base-Backbone interact. energy: -0.147
local terms energy: -122.611146
where:
bonds (distance) C4'-P energy: -23.839
bonds (distance) P-C4' energy: -23.960
flat angles C4'-P-C4' energy: -25.659
flat angles P-C4'-P energy: -18.406
tors. eta vs tors. theta energy: -30.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -271.022394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.022394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.022394 (E_RNA)
where:
Base-Base interactions energy: -176.954
where: short stacking energy: -73.442
Base-Backbone interact. energy: 0.098
local terms energy: -94.166622
where:
bonds (distance) C4'-P energy: -25.657
bonds (distance) P-C4' energy: -18.786
flat angles C4'-P-C4' energy: -23.645
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -13.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -207.803438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.803438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.803438 (E_RNA)
where:
Base-Base interactions energy: -115.075
where: short stacking energy: -72.987
Base-Backbone interact. energy: -0.562
local terms energy: -92.166047
where:
bonds (distance) C4'-P energy: -23.701
bonds (distance) P-C4' energy: -21.072
flat angles C4'-P-C4' energy: -19.926
flat angles P-C4'-P energy: -19.879
tors. eta vs tors. theta energy: -7.587
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: 10, replica: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -190.986404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.986404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.986404 (E_RNA)
where:
Base-Base interactions energy: -109.627
where: short stacking energy: -63.985
Base-Backbone interact. energy: 0.220
local terms energy: -81.579227
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -25.612
flat angles C4'-P-C4' energy: -23.313
flat angles P-C4'-P energy: -12.976
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: 1, replica: 5
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -527.540641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.540641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.540641 (E_RNA)
where:
Base-Base interactions energy: -367.058
where: short stacking energy: -148.961
Base-Backbone interact. energy: -0.871
local terms energy: -159.612036
where:
bonds (distance) C4'-P energy: -31.033
bonds (distance) P-C4' energy: -25.936
flat angles C4'-P-C4' energy: -30.836
flat angles P-C4'-P energy: -22.919
tors. eta vs tors. theta energy: -48.889
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: 6
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -489.460443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.460443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.460443 (E_RNA)
where:
Base-Base interactions energy: -337.424
where: short stacking energy: -148.482
Base-Backbone interact. energy: -0.111
local terms energy: -151.925512
where:
bonds (distance) C4'-P energy: -29.012
bonds (distance) P-C4' energy: -31.051
flat angles C4'-P-C4' energy: -33.212
flat angles P-C4'-P energy: -16.770
tors. eta vs tors. theta energy: -41.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -465.610904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.610904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.610904 (E_RNA)
where:
Base-Base interactions energy: -316.077
where: short stacking energy: -141.877
Base-Backbone interact. energy: -0.195
local terms energy: -149.339169
where:
bonds (distance) C4'-P energy: -31.145
bonds (distance) P-C4' energy: -30.382
flat angles C4'-P-C4' energy: -24.939
flat angles P-C4'-P energy: -23.075
tors. eta vs tors. theta energy: -39.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -458.021468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.021468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.021468 (E_RNA)
where:
Base-Base interactions energy: -319.507
where: short stacking energy: -142.663
Base-Backbone interact. energy: -0.389
local terms energy: -138.125867
where:
bonds (distance) C4'-P energy: -22.416
bonds (distance) P-C4' energy: -27.131
flat angles C4'-P-C4' energy: -27.096
flat angles P-C4'-P energy: -19.543
tors. eta vs tors. theta energy: -41.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -426.271315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.271315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.271315 (E_RNA)
where:
Base-Base interactions energy: -278.164
where: short stacking energy: -115.570
Base-Backbone interact. energy: -1.455
local terms energy: -146.652507
where:
bonds (distance) C4'-P energy: -30.394
bonds (distance) P-C4' energy: -26.726
flat angles C4'-P-C4' energy: -34.854
flat angles P-C4'-P energy: -21.485
tors. eta vs tors. theta energy: -33.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -406.961687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.961687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.961687 (E_RNA)
where:
Base-Base interactions energy: -274.298
where: short stacking energy: -131.635
Base-Backbone interact. energy: -0.111
local terms energy: -132.552259
where:
bonds (distance) C4'-P energy: -21.930
bonds (distance) P-C4' energy: -28.913
flat angles C4'-P-C4' energy: -31.293
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -32.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -360.799136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.799136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.799136 (E_RNA)
where:
Base-Base interactions energy: -233.148
where: short stacking energy: -108.157
Base-Backbone interact. energy: -0.309
local terms energy: -127.342715
where:
bonds (distance) C4'-P energy: -27.663
bonds (distance) P-C4' energy: -24.690
flat angles C4'-P-C4' energy: -31.647
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -33.424
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: 4
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -266.809639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.809639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.809639 (E_RNA)
where:
Base-Base interactions energy: -156.485
where: short stacking energy: -67.579
Base-Backbone interact. energy: -1.790
local terms energy: -108.534316
where:
bonds (distance) C4'-P energy: -23.892
bonds (distance) P-C4' energy: -29.889
flat angles C4'-P-C4' energy: -30.762
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -10.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -143.841690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.841690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.841690 (E_RNA)
where:
Base-Base interactions energy: -50.497
where: short stacking energy: -44.902
Base-Backbone interact. energy: -0.271
local terms energy: -93.074539
where:
bonds (distance) C4'-P energy: -25.651
bonds (distance) P-C4' energy: -23.434
flat angles C4'-P-C4' energy: -23.262
flat angles P-C4'-P energy: -21.070
tors. eta vs tors. theta energy: 0.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -191.937201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.937201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.937201 (E_RNA)
where:
Base-Base interactions energy: -111.556
where: short stacking energy: -61.011
Base-Backbone interact. energy: -0.196
local terms energy: -80.185285
where:
bonds (distance) C4'-P energy: -23.449
bonds (distance) P-C4' energy: -20.811
flat angles C4'-P-C4' energy: -23.345
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -6.047
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: 5
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -523.620660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.620660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.620660 (E_RNA)
where:
Base-Base interactions energy: -361.340
where: short stacking energy: -153.522
Base-Backbone interact. energy: -0.225
local terms energy: -162.056180
where:
bonds (distance) C4'-P energy: -29.593
bonds (distance) P-C4' energy: -27.928
flat angles C4'-P-C4' energy: -32.913
flat angles P-C4'-P energy: -23.524
tors. eta vs tors. theta energy: -48.097
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: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -479.034524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.034524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.034524 (E_RNA)
where:
Base-Base interactions energy: -321.336
where: short stacking energy: -145.413
Base-Backbone interact. energy: -1.277
local terms energy: -156.421301
where:
bonds (distance) C4'-P energy: -25.197
bonds (distance) P-C4' energy: -31.832
flat angles C4'-P-C4' energy: -32.591
flat angles P-C4'-P energy: -25.709
tors. eta vs tors. theta energy: -41.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -503.534040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.534040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.534040 (E_RNA)
where:
Base-Base interactions energy: -350.876
where: short stacking energy: -140.557
Base-Backbone interact. energy: -0.320
local terms energy: -152.337479
where:
bonds (distance) C4'-P energy: -31.971
bonds (distance) P-C4' energy: -29.102
flat angles C4'-P-C4' energy: -28.520
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: -45.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -470.375982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.375982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.375982 (E_RNA)
where:
Base-Base interactions energy: -326.997
where: short stacking energy: -133.237
Base-Backbone interact. energy: -0.484
local terms energy: -142.894324
where:
bonds (distance) C4'-P energy: -28.476
bonds (distance) P-C4' energy: -25.459
flat angles C4'-P-C4' energy: -31.385
flat angles P-C4'-P energy: -22.415
tors. eta vs tors. theta energy: -35.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -424.288682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.288682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.288682 (E_RNA)
where:
Base-Base interactions energy: -285.962
where: short stacking energy: -130.708
Base-Backbone interact. energy: -0.747
local terms energy: -137.579468
where:
bonds (distance) C4'-P energy: -24.734
bonds (distance) P-C4' energy: -23.285
flat angles C4'-P-C4' energy: -25.895
flat angles P-C4'-P energy: -20.006
tors. eta vs tors. theta energy: -43.660
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: 6, replica: 1
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -384.743927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.743927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.743927 (E_RNA)
where:
Base-Base interactions energy: -271.717
where: short stacking energy: -118.462
Base-Backbone interact. energy: -0.409
local terms energy: -112.617533
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -24.055
flat angles C4'-P-C4' energy: -27.165
flat angles P-C4'-P energy: -11.675
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: 7, replica: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -359.515943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.515943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.515943 (E_RNA)
where:
Base-Base interactions energy: -234.330
where: short stacking energy: -113.979
Base-Backbone interact. energy: -0.789
local terms energy: -124.397300
where:
bonds (distance) C4'-P energy: -22.872
bonds (distance) P-C4' energy: -25.824
flat angles C4'-P-C4' energy: -34.279
flat angles P-C4'-P energy: -17.840
tors. eta vs tors. theta energy: -23.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -252.594623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.594623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.594623 (E_RNA)
where:
Base-Base interactions energy: -145.803
where: short stacking energy: -67.512
Base-Backbone interact. energy: -0.915
local terms energy: -105.876159
where:
bonds (distance) C4'-P energy: -23.986
bonds (distance) P-C4' energy: -30.500
flat angles C4'-P-C4' energy: -25.428
flat angles P-C4'-P energy: -15.211
tors. eta vs tors. theta energy: -10.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -143.415400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.415400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.415400 (E_RNA)
where:
Base-Base interactions energy: -58.001
where: short stacking energy: -43.816
Base-Backbone interact. energy: 0.005
local terms energy: -85.419747
where:
bonds (distance) C4'-P energy: -20.176
bonds (distance) P-C4' energy: -29.812
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -4.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -194.608261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.608261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.608261 (E_RNA)
where:
Base-Base interactions energy: -96.967
where: short stacking energy: -46.372
Base-Backbone interact. energy: -0.973
local terms energy: -96.667600
where:
bonds (distance) C4'-P energy: -25.606
bonds (distance) P-C4' energy: -27.701
flat angles C4'-P-C4' energy: -23.370
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -8.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -533.070858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.070858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.070858 (E_RNA)
where:
Base-Base interactions energy: -381.788
where: short stacking energy: -155.140
Base-Backbone interact. energy: -0.015
local terms energy: -151.268658
where:
bonds (distance) C4'-P energy: -26.621
bonds (distance) P-C4' energy: -28.312
flat angles C4'-P-C4' energy: -31.844
flat angles P-C4'-P energy: -19.893
tors. eta vs tors. theta energy: -44.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -483.172040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.172040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.172040 (E_RNA)
where:
Base-Base interactions energy: -333.877
where: short stacking energy: -144.802
Base-Backbone interact. energy: -1.155
local terms energy: -148.140101
where:
bonds (distance) C4'-P energy: -22.859
bonds (distance) P-C4' energy: -30.221
flat angles C4'-P-C4' energy: -28.611
flat angles P-C4'-P energy: -22.543
tors. eta vs tors. theta energy: -43.906
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: 3, replica: 9
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -485.746436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.746436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.746436 (E_RNA)
where:
Base-Base interactions energy: -343.792
where: short stacking energy: -139.460
Base-Backbone interact. energy: 0.602
local terms energy: -142.556294
where:
bonds (distance) C4'-P energy: -29.175
bonds (distance) P-C4' energy: -27.786
flat angles C4'-P-C4' energy: -32.879
flat angles P-C4'-P energy: -17.112
tors. eta vs tors. theta energy: -35.604
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: 134
Temperature: 1.050000
Total energy: -491.767692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.767692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.767692 (E_RNA)
where:
Base-Base interactions energy: -338.061
where: short stacking energy: -136.354
Base-Backbone interact. energy: -0.573
local terms energy: -153.133111
where:
bonds (distance) C4'-P energy: -28.409
bonds (distance) P-C4' energy: -26.596
flat angles C4'-P-C4' energy: -32.951
flat angles P-C4'-P energy: -21.043
tors. eta vs tors. theta energy: -44.134
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: 1
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -358.446769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.446769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.446769 (E_RNA)
where:
Base-Base interactions energy: -239.452
where: short stacking energy: -110.613
Base-Backbone interact. energy: -0.220
local terms energy: -118.775649
where:
bonds (distance) C4'-P energy: -25.427
bonds (distance) P-C4' energy: -26.627
flat angles C4'-P-C4' energy: -28.004
flat angles P-C4'-P energy: -14.068
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: 6, replica: 3
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -421.069372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.069372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.069372 (E_RNA)
where:
Base-Base interactions energy: -284.813
where: short stacking energy: -121.946
Base-Backbone interact. energy: -0.229
local terms energy: -136.027219
where:
bonds (distance) C4'-P energy: -27.308
bonds (distance) P-C4' energy: -19.416
flat angles C4'-P-C4' energy: -30.205
flat angles P-C4'-P energy: -25.214
tors. eta vs tors. theta energy: -33.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -362.341919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.341919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.341919 (E_RNA)
where:
Base-Base interactions energy: -243.385
where: short stacking energy: -109.105
Base-Backbone interact. energy: -0.185
local terms energy: -118.771342
where:
bonds (distance) C4'-P energy: -23.445
bonds (distance) P-C4' energy: -23.218
flat angles C4'-P-C4' energy: -23.577
flat angles P-C4'-P energy: -19.439
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: 8, replica: 4
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -254.046570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.046570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.046570 (E_RNA)
where:
Base-Base interactions energy: -147.072
where: short stacking energy: -77.440
Base-Backbone interact. energy: 3.539
local terms energy: -110.513020
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -25.801
flat angles C4'-P-C4' energy: -26.688
flat angles P-C4'-P energy: -19.553
tors. eta vs tors. theta energy: -17.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -183.318288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.318288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.318288 (E_RNA)
where:
Base-Base interactions energy: -98.107
where: short stacking energy: -57.248
Base-Backbone interact. energy: -0.577
local terms energy: -84.634297
where:
bonds (distance) C4'-P energy: -24.227
bonds (distance) P-C4' energy: -23.877
flat angles C4'-P-C4' energy: -24.188
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -1.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -149.337724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.337724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.337724 (E_RNA)
where:
Base-Base interactions energy: -41.720
where: short stacking energy: -42.171
Base-Backbone interact. energy: -1.206
local terms energy: -106.411462
where:
bonds (distance) C4'-P energy: -27.013
bonds (distance) P-C4' energy: -29.374
flat angles C4'-P-C4' energy: -22.624
flat angles P-C4'-P energy: -20.640
tors. eta vs tors. theta energy: -6.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -529.747812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.747812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.747812 (E_RNA)
where:
Base-Base interactions energy: -365.153
where: short stacking energy: -160.624
Base-Backbone interact. energy: -0.464
local terms energy: -164.130905
where:
bonds (distance) C4'-P energy: -30.892
bonds (distance) P-C4' energy: -27.433
flat angles C4'-P-C4' energy: -32.017
flat angles P-C4'-P energy: -23.016
tors. eta vs tors. theta energy: -50.773
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: 2, replica: 9
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -490.136930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.136930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.136930 (E_RNA)
where:
Base-Base interactions energy: -350.113
where: short stacking energy: -147.978
Base-Backbone interact. energy: -0.115
local terms energy: -139.909156
where:
bonds (distance) C4'-P energy: -25.242
bonds (distance) P-C4' energy: -23.888
flat angles C4'-P-C4' energy: -26.354
flat angles P-C4'-P energy: -19.525
tors. eta vs tors. theta energy: -44.900
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: 10
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -460.858534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.858534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.858534 (E_RNA)
where:
Base-Base interactions energy: -317.941
where: short stacking energy: -137.568
Base-Backbone interact. energy: 0.651
local terms energy: -143.568058
where:
bonds (distance) C4'-P energy: -24.117
bonds (distance) P-C4' energy: -28.658
flat angles C4'-P-C4' energy: -31.827
flat angles P-C4'-P energy: -18.856
tors. eta vs tors. theta energy: -40.111
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: 6
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -481.804615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.804615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.804615 (E_RNA)
where:
Base-Base interactions energy: -336.902
where: short stacking energy: -147.773
Base-Backbone interact. energy: -0.622
local terms energy: -144.280185
where:
bonds (distance) C4'-P energy: -30.210
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -31.551
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: -45.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -392.340739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.340739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.340739 (E_RNA)
where:
Base-Base interactions energy: -262.937
where: short stacking energy: -133.366
Base-Backbone interact. energy: -0.480
local terms energy: -128.923710
where:
bonds (distance) C4'-P energy: -23.597
bonds (distance) P-C4' energy: -28.785
flat angles C4'-P-C4' energy: -30.342
flat angles P-C4'-P energy: -18.483
tors. eta vs tors. theta energy: -27.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -451.326617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.326617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.326617 (E_RNA)
where:
Base-Base interactions energy: -302.418
where: short stacking energy: -140.378
Base-Backbone interact. energy: -0.397
local terms energy: -148.511014
where:
bonds (distance) C4'-P energy: -27.894
bonds (distance) P-C4' energy: -27.439
flat angles C4'-P-C4' energy: -31.094
flat angles P-C4'-P energy: -19.897
tors. eta vs tors. theta energy: -42.187
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: 8
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -357.558043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.558043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.558043 (E_RNA)
where:
Base-Base interactions energy: -229.839
where: short stacking energy: -117.663
Base-Backbone interact. energy: -0.608
local terms energy: -127.110827
where:
bonds (distance) C4'-P energy: -25.519
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -26.594
flat angles P-C4'-P energy: -21.465
tors. eta vs tors. theta energy: -32.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -207.504936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.504936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.504936 (E_RNA)
where:
Base-Base interactions energy: -114.358
where: short stacking energy: -60.445
Base-Backbone interact. energy: -0.266
local terms energy: -92.880776
where:
bonds (distance) C4'-P energy: -21.793
bonds (distance) P-C4' energy: -29.380
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -12.115
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: 9, replica: 4
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -205.945589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.945589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.945589 (E_RNA)
where:
Base-Base interactions energy: -114.581
where: short stacking energy: -67.200
Base-Backbone interact. energy: -0.384
local terms energy: -90.980544
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -24.810
flat angles C4'-P-C4' energy: -30.957
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -9.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -127.265154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.265154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.265154 (E_RNA)
where:
Base-Base interactions energy: -45.465
where: short stacking energy: -45.465
Base-Backbone interact. energy: -0.381
local terms energy: -81.419313
where:
bonds (distance) C4'-P energy: -20.512
bonds (distance) P-C4' energy: -21.468
flat angles C4'-P-C4' energy: -22.331
flat angles P-C4'-P energy: -18.750
tors. eta vs tors. theta energy: 1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -526.148946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.148946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.148946 (E_RNA)
where:
Base-Base interactions energy: -365.436
where: short stacking energy: -162.217
Base-Backbone interact. energy: 0.137
local terms energy: -160.850257
where:
bonds (distance) C4'-P energy: -28.911
bonds (distance) P-C4' energy: -25.930
flat angles C4'-P-C4' energy: -36.143
flat angles P-C4'-P energy: -20.841
tors. eta vs tors. theta energy: -49.025
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: 2, replica: 9
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -487.357255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.357255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.357255 (E_RNA)
where:
Base-Base interactions energy: -343.828
where: short stacking energy: -148.373
Base-Backbone interact. energy: -0.443
local terms energy: -143.086828
where:
bonds (distance) C4'-P energy: -30.514
bonds (distance) P-C4' energy: -27.000
flat angles C4'-P-C4' energy: -27.624
flat angles P-C4'-P energy: -16.575
tors. eta vs tors. theta energy: -41.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -472.293414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.293414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.293414 (E_RNA)
where:
Base-Base interactions energy: -330.615
where: short stacking energy: -140.166
Base-Backbone interact. energy: -0.610
local terms energy: -141.068150
where:
bonds (distance) C4'-P energy: -30.444
bonds (distance) P-C4' energy: -30.473
flat angles C4'-P-C4' energy: -24.907
flat angles P-C4'-P energy: -22.229
tors. eta vs tors. theta energy: -33.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -452.270695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.270695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.270695 (E_RNA)
where:
Base-Base interactions energy: -304.884
where: short stacking energy: -127.274
Base-Backbone interact. energy: -2.009
local terms energy: -145.378199
where:
bonds (distance) C4'-P energy: -28.717
bonds (distance) P-C4' energy: -32.924
flat angles C4'-P-C4' energy: -31.000
flat angles P-C4'-P energy: -17.695
tors. eta vs tors. theta energy: -35.041
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: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -450.503738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.503738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.503738 (E_RNA)
where:
Base-Base interactions energy: -308.684
where: short stacking energy: -134.388
Base-Backbone interact. energy: -0.107
local terms energy: -141.712592
where:
bonds (distance) C4'-P energy: -26.721
bonds (distance) P-C4' energy: -27.380
flat angles C4'-P-C4' energy: -27.849
flat angles P-C4'-P energy: -21.888
tors. eta vs tors. theta energy: -37.874
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: 1
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -362.947250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.947250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.947250 (E_RNA)
where:
Base-Base interactions energy: -249.098
where: short stacking energy: -109.712
Base-Backbone interact. energy: -1.152
local terms energy: -112.697007
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -24.876
flat angles C4'-P-C4' energy: -28.839
flat angles P-C4'-P energy: -19.215
tors. eta vs tors. theta energy: -23.668
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: 8
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -368.907532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.907532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.907532 (E_RNA)
where:
Base-Base interactions energy: -249.270
where: short stacking energy: -115.029
Base-Backbone interact. energy: -0.017
local terms energy: -119.620864
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -27.764
flat angles C4'-P-C4' energy: -21.069
flat angles P-C4'-P energy: -15.338
tors. eta vs tors. theta energy: -32.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -215.699656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.699656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.699656 (E_RNA)
where:
Base-Base interactions energy: -112.487
where: short stacking energy: -54.864
Base-Backbone interact. energy: -1.173
local terms energy: -102.039004
where:
bonds (distance) C4'-P energy: -28.812
bonds (distance) P-C4' energy: -27.198
flat angles C4'-P-C4' energy: -24.939
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -9.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -210.477480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.477480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.477480 (E_RNA)
where:
Base-Base interactions energy: -107.602
where: short stacking energy: -52.505
Base-Backbone interact. energy: -0.307
local terms energy: -102.568291
where:
bonds (distance) C4'-P energy: -26.250
bonds (distance) P-C4' energy: -26.850
flat angles C4'-P-C4' energy: -24.315
flat angles P-C4'-P energy: -19.353
tors. eta vs tors. theta energy: -5.800
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: 7
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -158.683080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.683080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.683080 (E_RNA)
where:
Base-Base interactions energy: -73.748
where: short stacking energy: -49.386
Base-Backbone interact. energy: -0.451
local terms energy: -84.483220
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -22.684
flat angles C4'-P-C4' energy: -21.221
flat angles P-C4'-P energy: -15.716
tors. eta vs tors. theta energy: -8.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -522.635408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.635408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.635408 (E_RNA)
where:
Base-Base interactions energy: -366.482
where: short stacking energy: -156.062
Base-Backbone interact. energy: -0.057
local terms energy: -156.096369
where:
bonds (distance) C4'-P energy: -26.611
bonds (distance) P-C4' energy: -31.506
flat angles C4'-P-C4' energy: -31.448
flat angles P-C4'-P energy: -19.162
tors. eta vs tors. theta energy: -47.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -477.589277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.589277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.589277 (E_RNA)
where:
Base-Base interactions energy: -326.489
where: short stacking energy: -138.733
Base-Backbone interact. energy: -0.036
local terms energy: -151.063707
where:
bonds (distance) C4'-P energy: -29.854
bonds (distance) P-C4' energy: -28.734
flat angles C4'-P-C4' energy: -25.218
flat angles P-C4'-P energy: -25.493
tors. eta vs tors. theta energy: -41.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -481.796422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.796422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.796422 (E_RNA)
where:
Base-Base interactions energy: -337.196
where: short stacking energy: -148.674
Base-Backbone interact. energy: -0.505
local terms energy: -144.095667
where:
bonds (distance) C4'-P energy: -24.756
bonds (distance) P-C4' energy: -27.284
flat angles C4'-P-C4' energy: -28.256
flat angles P-C4'-P energy: -20.826
tors. eta vs tors. theta energy: -42.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -465.762153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.762153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.762153 (E_RNA)
where:
Base-Base interactions energy: -327.993
where: short stacking energy: -137.224
Base-Backbone interact. energy: -1.132
local terms energy: -136.637372
where:
bonds (distance) C4'-P energy: -26.264
bonds (distance) P-C4' energy: -24.464
flat angles C4'-P-C4' energy: -30.253
flat angles P-C4'-P energy: -18.509
tors. eta vs tors. theta energy: -37.147
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: 10
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -470.946848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.946848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.946848 (E_RNA)
where:
Base-Base interactions energy: -327.284
where: short stacking energy: -141.483
Base-Backbone interact. energy: -0.230
local terms energy: -143.432998
where:
bonds (distance) C4'-P energy: -20.048
bonds (distance) P-C4' energy: -29.969
flat angles C4'-P-C4' energy: -28.743
flat angles P-C4'-P energy: -21.636
tors. eta vs tors. theta energy: -43.037
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: 8
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -375.485390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.485390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.485390 (E_RNA)
where:
Base-Base interactions energy: -256.384
where: short stacking energy: -127.833
Base-Backbone interact. energy: -0.012
local terms energy: -119.089536
where:
bonds (distance) C4'-P energy: -20.763
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -24.076
flat angles P-C4'-P energy: -20.199
tors. eta vs tors. theta energy: -33.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -346.880036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.880036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.880036 (E_RNA)
where:
Base-Base interactions energy: -232.662
where: short stacking energy: -94.487
Base-Backbone interact. energy: -1.269
local terms energy: -112.948924
where:
bonds (distance) C4'-P energy: -27.376
bonds (distance) P-C4' energy: -27.151
flat angles C4'-P-C4' energy: -27.663
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -18.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -214.620579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.620579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.620579 (E_RNA)
where:
Base-Base interactions energy: -114.082
where: short stacking energy: -59.562
Base-Backbone interact. energy: -3.103
local terms energy: -97.434972
where:
bonds (distance) C4'-P energy: -28.715
bonds (distance) P-C4' energy: -29.927
flat angles C4'-P-C4' energy: -30.016
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: 2.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -183.505165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.505165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.505165 (E_RNA)
where:
Base-Base interactions energy: -89.690
where: short stacking energy: -48.404
Base-Backbone interact. energy: -0.744
local terms energy: -93.071126
where:
bonds (distance) C4'-P energy: -26.468
bonds (distance) P-C4' energy: -29.961
flat angles C4'-P-C4' energy: -26.686
flat angles P-C4'-P energy: -11.199
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: 10, replica: 7
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -134.746074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.746074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.746074 (E_RNA)
where:
Base-Base interactions energy: -56.884
where: short stacking energy: -45.779
Base-Backbone interact. energy: -1.040
local terms energy: -76.821836
where:
bonds (distance) C4'-P energy: -22.086
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -2.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -532.139664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.139664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.139664 (E_RNA)
where:
Base-Base interactions energy: -377.939
where: short stacking energy: -148.134
Base-Backbone interact. energy: -0.371
local terms energy: -153.829977
where:
bonds (distance) C4'-P energy: -31.688
bonds (distance) P-C4' energy: -33.465
flat angles C4'-P-C4' energy: -30.214
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -41.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -475.965485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.965485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.965485 (E_RNA)
where:
Base-Base interactions energy: -330.812
where: short stacking energy: -144.705
Base-Backbone interact. energy: -0.035
local terms energy: -145.119261
where:
bonds (distance) C4'-P energy: -23.044
bonds (distance) P-C4' energy: -27.296
flat angles C4'-P-C4' energy: -29.370
flat angles P-C4'-P energy: -24.234
tors. eta vs tors. theta energy: -41.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -472.638023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.638023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.638023 (E_RNA)
where:
Base-Base interactions energy: -330.192
where: short stacking energy: -134.502
Base-Backbone interact. energy: -0.323
local terms energy: -142.122557
where:
bonds (distance) C4'-P energy: -24.365
bonds (distance) P-C4' energy: -26.925
flat angles C4'-P-C4' energy: -31.313
flat angles P-C4'-P energy: -20.681
tors. eta vs tors. theta energy: -38.838
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: 9
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -469.096377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.096377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.096377 (E_RNA)
where:
Base-Base interactions energy: -332.261
where: short stacking energy: -139.632
Base-Backbone interact. energy: -0.305
local terms energy: -136.529431
where:
bonds (distance) C4'-P energy: -27.020
bonds (distance) P-C4' energy: -29.956
flat angles C4'-P-C4' energy: -20.942
flat angles P-C4'-P energy: -16.782
tors. eta vs tors. theta energy: -41.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -439.411011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.411011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.411011 (E_RNA)
where:
Base-Base interactions energy: -307.891
where: short stacking energy: -122.208
Base-Backbone interact. energy: -0.049
local terms energy: -131.471029
where:
bonds (distance) C4'-P energy: -24.290
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -30.042
flat angles P-C4'-P energy: -19.176
tors. eta vs tors. theta energy: -34.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -363.557266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.557266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.557266 (E_RNA)
where:
Base-Base interactions energy: -241.026
where: short stacking energy: -117.641
Base-Backbone interact. energy: 0.898
local terms energy: -123.428533
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -24.849
flat angles C4'-P-C4' energy: -30.817
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -32.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -333.270127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.270127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.270127 (E_RNA)
where:
Base-Base interactions energy: -232.525
where: short stacking energy: -93.512
Base-Backbone interact. energy: -1.509
local terms energy: -99.235766
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -20.975
flat angles C4'-P-C4' energy: -24.151
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -20.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -235.122646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.122646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.122646 (E_RNA)
where:
Base-Base interactions energy: -145.371
where: short stacking energy: -76.859
Base-Backbone interact. energy: -1.565
local terms energy: -88.186933
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -23.552
flat angles C4'-P-C4' energy: -24.132
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -14.339
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: 9, replica: 2
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -194.162801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.162801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.162801 (E_RNA)
where:
Base-Base interactions energy: -107.357
where: short stacking energy: -55.142
Base-Backbone interact. energy: -1.386
local terms energy: -85.419006
where:
bonds (distance) C4'-P energy: -28.185
bonds (distance) P-C4' energy: -29.565
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -2.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -149.700456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.700456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.700456 (E_RNA)
where:
Base-Base interactions energy: -71.290
where: short stacking energy: -71.128
Base-Backbone interact. energy: 0.781
local terms energy: -79.191936
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -24.704
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -16.641
tors. eta vs tors. theta energy: -8.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -519.913526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.913526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.913526 (E_RNA)
where:
Base-Base interactions energy: -361.385
where: short stacking energy: -148.462
Base-Backbone interact. energy: -0.793
local terms energy: -157.735105
where:
bonds (distance) C4'-P energy: -31.770
bonds (distance) P-C4' energy: -31.314
flat angles C4'-P-C4' energy: -25.434
flat angles P-C4'-P energy: -20.876
tors. eta vs tors. theta energy: -48.341
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: 2, replica: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -486.904583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.904583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.904583 (E_RNA)
where:
Base-Base interactions energy: -349.253
where: short stacking energy: -143.170
Base-Backbone interact. energy: -0.759
local terms energy: -136.892672
where:
bonds (distance) C4'-P energy: -27.982
bonds (distance) P-C4' energy: -26.302
flat angles C4'-P-C4' energy: -27.449
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: -38.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -469.085636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.085636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.085636 (E_RNA)
where:
Base-Base interactions energy: -323.160
where: short stacking energy: -144.457
Base-Backbone interact. energy: -0.526
local terms energy: -145.400385
where:
bonds (distance) C4'-P energy: -24.586
bonds (distance) P-C4' energy: -22.533
flat angles C4'-P-C4' energy: -31.957
flat angles P-C4'-P energy: -22.754
tors. eta vs tors. theta energy: -43.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -466.839315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.839315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.839315 (E_RNA)
where:
Base-Base interactions energy: -330.375
where: short stacking energy: -134.604
Base-Backbone interact. energy: -0.194
local terms energy: -136.270951
where:
bonds (distance) C4'-P energy: -28.488
bonds (distance) P-C4' energy: -28.205
flat angles C4'-P-C4' energy: -31.289
flat angles P-C4'-P energy: -17.470
tors. eta vs tors. theta energy: -30.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -451.147003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.147003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.147003 (E_RNA)
where:
Base-Base interactions energy: -313.985
where: short stacking energy: -125.622
Base-Backbone interact. energy: -0.358
local terms energy: -136.804662
where:
bonds (distance) C4'-P energy: -25.766
bonds (distance) P-C4' energy: -29.199
flat angles C4'-P-C4' energy: -24.962
flat angles P-C4'-P energy: -17.650
tors. eta vs tors. theta energy: -39.227
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: 8
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -378.905991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.905991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.905991 (E_RNA)
where:
Base-Base interactions energy: -255.214
where: short stacking energy: -114.834
Base-Backbone interact. energy: -0.725
local terms energy: -122.966902
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -23.118
flat angles C4'-P-C4' energy: -28.107
flat angles P-C4'-P energy: -20.713
tors. eta vs tors. theta energy: -32.602
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: 1
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -344.659352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.659352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.659352 (E_RNA)
where:
Base-Base interactions energy: -226.413
where: short stacking energy: -88.779
Base-Backbone interact. energy: -0.444
local terms energy: -117.803018
where:
bonds (distance) C4'-P energy: -24.434
bonds (distance) P-C4' energy: -29.152
flat angles C4'-P-C4' energy: -24.935
flat angles P-C4'-P energy: -18.375
tors. eta vs tors. theta energy: -20.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -230.083586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.083586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.083586 (E_RNA)
where:
Base-Base interactions energy: -132.101
where: short stacking energy: -69.775
Base-Backbone interact. energy: -0.576
local terms energy: -97.406365
where:
bonds (distance) C4'-P energy: -27.693
bonds (distance) P-C4' energy: -20.388
flat angles C4'-P-C4' energy: -23.586
flat angles P-C4'-P energy: -17.596
tors. eta vs tors. theta energy: -8.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -216.848902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.848902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.848902 (E_RNA)
where:
Base-Base interactions energy: -117.008
where: short stacking energy: -71.508
Base-Backbone interact. energy: -0.359
local terms energy: -99.482626
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -30.564
flat angles C4'-P-C4' energy: -24.112
flat angles P-C4'-P energy: -14.490
tors. eta vs tors. theta energy: -16.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -129.501461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.501461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.501461 (E_RNA)
where:
Base-Base interactions energy: -51.323
where: short stacking energy: -43.562
Base-Backbone interact. energy: -0.349
local terms energy: -77.828549
where:
bonds (distance) C4'-P energy: -21.922
bonds (distance) P-C4' energy: -22.494
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -2.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -523.560901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.560901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.560901 (E_RNA)
where:
Base-Base interactions energy: -368.936
where: short stacking energy: -161.645
Base-Backbone interact. energy: -0.004
local terms energy: -154.621349
where:
bonds (distance) C4'-P energy: -24.669
bonds (distance) P-C4' energy: -26.859
flat angles C4'-P-C4' energy: -29.478
flat angles P-C4'-P energy: -23.278
tors. eta vs tors. theta energy: -50.336
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: 2, replica: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -489.587737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.587737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.587737 (E_RNA)
where:
Base-Base interactions energy: -346.727
where: short stacking energy: -139.763
Base-Backbone interact. energy: -0.098
local terms energy: -142.763637
where:
bonds (distance) C4'-P energy: -26.067
bonds (distance) P-C4' energy: -25.930
flat angles C4'-P-C4' energy: -28.235
flat angles P-C4'-P energy: -21.812
tors. eta vs tors. theta energy: -40.720
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: 140
Temperature: 1.000000
Total energy: -463.155600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.155600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.155600 (E_RNA)
where:
Base-Base interactions energy: -313.587
where: short stacking energy: -139.709
Base-Backbone interact. energy: -0.707
local terms energy: -148.861266
where:
bonds (distance) C4'-P energy: -26.437
bonds (distance) P-C4' energy: -28.685
flat angles C4'-P-C4' energy: -31.775
flat angles P-C4'-P energy: -22.642
tors. eta vs tors. theta energy: -39.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -450.197311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.197311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.197311 (E_RNA)
where:
Base-Base interactions energy: -323.484
where: short stacking energy: -128.927
Base-Backbone interact. energy: -1.350
local terms energy: -125.363156
where:
bonds (distance) C4'-P energy: -27.370
bonds (distance) P-C4' energy: -24.015
flat angles C4'-P-C4' energy: -24.546
flat angles P-C4'-P energy: -18.336
tors. eta vs tors. theta energy: -31.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -439.462337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.462337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.462337 (E_RNA)
where:
Base-Base interactions energy: -306.027
where: short stacking energy: -127.943
Base-Backbone interact. energy: -1.281
local terms energy: -132.153954
where:
bonds (distance) C4'-P energy: -25.717
bonds (distance) P-C4' energy: -22.924
flat angles C4'-P-C4' energy: -31.607
flat angles P-C4'-P energy: -17.331
tors. eta vs tors. theta energy: -34.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -384.248630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.248630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.248630 (E_RNA)
where:
Base-Base interactions energy: -255.756
where: short stacking energy: -124.390
Base-Backbone interact. energy: -0.657
local terms energy: -127.835308
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -28.493
flat angles C4'-P-C4' energy: -29.213
flat angles P-C4'-P energy: -16.302
tors. eta vs tors. theta energy: -33.381
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: 7, replica: 1
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -315.437294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.437294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.437294 (E_RNA)
where:
Base-Base interactions energy: -206.765
where: short stacking energy: -86.565
Base-Backbone interact. energy: -1.349
local terms energy: -107.323097
where:
bonds (distance) C4'-P energy: -22.795
bonds (distance) P-C4' energy: -22.566
flat angles C4'-P-C4' energy: -21.171
flat angles P-C4'-P energy: -20.292
tors. eta vs tors. theta energy: -20.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -239.977826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.977826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.977826 (E_RNA)
where:
Base-Base interactions energy: -148.736
where: short stacking energy: -74.049
Base-Backbone interact. energy: -0.275
local terms energy: -90.967340
where:
bonds (distance) C4'-P energy: -27.652
bonds (distance) P-C4' energy: -18.653
flat angles C4'-P-C4' energy: -19.118
flat angles P-C4'-P energy: -16.400
tors. eta vs tors. theta energy: -9.145
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: 9, replica: 4
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -219.645550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.645550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.645550 (E_RNA)
where:
Base-Base interactions energy: -124.314
where: short stacking energy: -72.167
Base-Backbone interact. energy: -1.145
local terms energy: -94.185922
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -24.579
flat angles P-C4'-P energy: -16.115
tors. eta vs tors. theta energy: -12.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -133.711819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.711819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.711819 (E_RNA)
where:
Base-Base interactions energy: -44.335
where: short stacking energy: -41.352
Base-Backbone interact. energy: -0.055
local terms energy: -89.321935
where:
bonds (distance) C4'-P energy: -28.382
bonds (distance) P-C4' energy: -23.255
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: -5.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -523.474793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.474793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.474793 (E_RNA)
where:
Base-Base interactions energy: -370.036
where: short stacking energy: -150.665
Base-Backbone interact. energy: 0.003
local terms energy: -153.441351
where:
bonds (distance) C4'-P energy: -23.586
bonds (distance) P-C4' energy: -29.881
flat angles C4'-P-C4' energy: -30.290
flat angles P-C4'-P energy: -21.644
tors. eta vs tors. theta energy: -48.040
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: 2, replica: 3
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -477.204552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.204552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.204552 (E_RNA)
where:
Base-Base interactions energy: -336.903
where: short stacking energy: -136.088
Base-Backbone interact. energy: -0.351
local terms energy: -139.951004
where:
bonds (distance) C4'-P energy: -28.810
bonds (distance) P-C4' energy: -25.669
flat angles C4'-P-C4' energy: -34.179
flat angles P-C4'-P energy: -16.604
tors. eta vs tors. theta energy: -34.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -475.775163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.775163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.775163 (E_RNA)
where:
Base-Base interactions energy: -335.946
where: short stacking energy: -141.553
Base-Backbone interact. energy: -0.370
local terms energy: -139.459080
where:
bonds (distance) C4'-P energy: -23.394
bonds (distance) P-C4' energy: -30.167
flat angles C4'-P-C4' energy: -29.454
flat angles P-C4'-P energy: -19.309
tors. eta vs tors. theta energy: -37.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -465.224351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.224351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.224351 (E_RNA)
where:
Base-Base interactions energy: -327.747
where: short stacking energy: -122.201
Base-Backbone interact. energy: -0.682
local terms energy: -136.795755
where:
bonds (distance) C4'-P energy: -19.287
bonds (distance) P-C4' energy: -29.982
flat angles C4'-P-C4' energy: -30.912
flat angles P-C4'-P energy: -20.555
tors. eta vs tors. theta energy: -36.059
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: 141
Temperature: 1.100000
Total energy: -446.781690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.781690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.781690 (E_RNA)
where:
Base-Base interactions energy: -305.397
where: short stacking energy: -126.271
Base-Backbone interact. energy: -0.217
local terms energy: -141.167724
where:
bonds (distance) C4'-P energy: -24.554
bonds (distance) P-C4' energy: -30.760
flat angles C4'-P-C4' energy: -27.679
flat angles P-C4'-P energy: -19.165
tors. eta vs tors. theta energy: -39.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -379.722258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.722258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.722258 (E_RNA)
where:
Base-Base interactions energy: -256.507
where: short stacking energy: -112.628
Base-Backbone interact. energy: -0.397
local terms energy: -122.818396
where:
bonds (distance) C4'-P energy: -19.229
bonds (distance) P-C4' energy: -21.583
flat angles C4'-P-C4' energy: -30.928
flat angles P-C4'-P energy: -15.673
tors. eta vs tors. theta energy: -35.405
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: 1
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -363.235795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.235795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.235795 (E_RNA)
where:
Base-Base interactions energy: -242.533
where: short stacking energy: -111.121
Base-Backbone interact. energy: -0.548
local terms energy: -120.155177
where:
bonds (distance) C4'-P energy: -25.292
bonds (distance) P-C4' energy: -22.114
flat angles C4'-P-C4' energy: -26.286
flat angles P-C4'-P energy: -16.881
tors. eta vs tors. theta energy: -29.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -218.695253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.695253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.695253 (E_RNA)
where:
Base-Base interactions energy: -116.601
where: short stacking energy: -70.903
Base-Backbone interact. energy: -0.928
local terms energy: -101.166450
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -30.336
flat angles C4'-P-C4' energy: -28.348
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -9.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -215.654559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.654559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.654559 (E_RNA)
where:
Base-Base interactions energy: -116.980
where: short stacking energy: -56.825
Base-Backbone interact. energy: -0.222
local terms energy: -98.451923
where:
bonds (distance) C4'-P energy: -21.855
bonds (distance) P-C4' energy: -25.672
flat angles C4'-P-C4' energy: -26.019
flat angles P-C4'-P energy: -17.364
tors. eta vs tors. theta energy: -7.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -146.432488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.432488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.432488 (E_RNA)
where:
Base-Base interactions energy: -47.379
where: short stacking energy: -43.370
Base-Backbone interact. energy: -0.313
local terms energy: -98.741131
where:
bonds (distance) C4'-P energy: -31.123
bonds (distance) P-C4' energy: -27.005
flat angles C4'-P-C4' energy: -20.298
flat angles P-C4'-P energy: -18.384
tors. eta vs tors. theta energy: -1.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -525.228974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.228974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.228974 (E_RNA)
where:
Base-Base interactions energy: -375.532
where: short stacking energy: -153.682
Base-Backbone interact. energy: 0.458
local terms energy: -150.154166
where:
bonds (distance) C4'-P energy: -29.536
bonds (distance) P-C4' energy: -26.711
flat angles C4'-P-C4' energy: -28.310
flat angles P-C4'-P energy: -20.702
tors. eta vs tors. theta energy: -44.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -490.721965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.721965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.721965 (E_RNA)
where:
Base-Base interactions energy: -348.834
where: short stacking energy: -137.998
Base-Backbone interact. energy: -0.588
local terms energy: -141.300442
where:
bonds (distance) C4'-P energy: -27.928
bonds (distance) P-C4' energy: -28.186
flat angles C4'-P-C4' energy: -26.328
flat angles P-C4'-P energy: -21.340
tors. eta vs tors. theta energy: -37.518
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: 6
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -469.713403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.713403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.713403 (E_RNA)
where:
Base-Base interactions energy: -331.019
where: short stacking energy: -139.620
Base-Backbone interact. energy: 0.500
local terms energy: -139.194078
where:
bonds (distance) C4'-P energy: -22.922
bonds (distance) P-C4' energy: -23.574
flat angles C4'-P-C4' energy: -32.887
flat angles P-C4'-P energy: -20.295
tors. eta vs tors. theta energy: -39.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -461.176767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.176767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.176767 (E_RNA)
where:
Base-Base interactions energy: -317.790
where: short stacking energy: -132.517
Base-Backbone interact. energy: -0.289
local terms energy: -143.097378
where:
bonds (distance) C4'-P energy: -28.949
bonds (distance) P-C4' energy: -27.800
flat angles C4'-P-C4' energy: -31.419
flat angles P-C4'-P energy: -17.775
tors. eta vs tors. theta energy: -37.155
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: 10
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -452.124600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.124600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.124600 (E_RNA)
where:
Base-Base interactions energy: -315.087
where: short stacking energy: -130.145
Base-Backbone interact. energy: -0.928
local terms energy: -136.109758
where:
bonds (distance) C4'-P energy: -23.176
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -31.448
flat angles P-C4'-P energy: -19.869
tors. eta vs tors. theta energy: -40.216
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: 8
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -376.402660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.402660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.402660 (E_RNA)
where:
Base-Base interactions energy: -238.306
where: short stacking energy: -113.568
Base-Backbone interact. energy: -0.960
local terms energy: -137.136469
where:
bonds (distance) C4'-P energy: -25.216
bonds (distance) P-C4' energy: -28.882
flat angles C4'-P-C4' energy: -28.803
flat angles P-C4'-P energy: -18.855
tors. eta vs tors. theta energy: -35.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -316.486004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.486004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.486004 (E_RNA)
where:
Base-Base interactions energy: -205.762
where: short stacking energy: -94.486
Base-Backbone interact. energy: -0.074
local terms energy: -110.650368
where:
bonds (distance) C4'-P energy: -23.308
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -30.510
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -18.883
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: 142
Temperature: 1.250000
Total energy: -236.353464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.353464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.353464 (E_RNA)
where:
Base-Base interactions energy: -120.670
where: short stacking energy: -78.133
Base-Backbone interact. energy: -0.249
local terms energy: -115.433721
where:
bonds (distance) C4'-P energy: -32.092
bonds (distance) P-C4' energy: -24.354
flat angles C4'-P-C4' energy: -27.878
flat angles P-C4'-P energy: -9.979
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: 9, replica: 2
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -244.568888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.568888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.568888 (E_RNA)
where:
Base-Base interactions energy: -150.215
where: short stacking energy: -68.323
Base-Backbone interact. energy: -0.344
local terms energy: -94.009563
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -26.060
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -20.554
tors. eta vs tors. theta energy: -10.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -166.235424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.235424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.235424 (E_RNA)
where:
Base-Base interactions energy: -90.445
where: short stacking energy: -54.055
Base-Backbone interact. energy: -0.621
local terms energy: -75.169450
where:
bonds (distance) C4'-P energy: -20.179
bonds (distance) P-C4' energy: -25.068
flat angles C4'-P-C4' energy: -21.696
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: 2.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -524.758183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.758183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.758183 (E_RNA)
where:
Base-Base interactions energy: -368.106
where: short stacking energy: -156.507
Base-Backbone interact. energy: -0.002
local terms energy: -156.650084
where:
bonds (distance) C4'-P energy: -26.161
bonds (distance) P-C4' energy: -29.218
flat angles C4'-P-C4' energy: -30.628
flat angles P-C4'-P energy: -21.956
tors. eta vs tors. theta energy: -48.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -480.523541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.523541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.523541 (E_RNA)
where:
Base-Base interactions energy: -334.106
where: short stacking energy: -141.686
Base-Backbone interact. energy: -0.016
local terms energy: -146.401702
where:
bonds (distance) C4'-P energy: -27.033
bonds (distance) P-C4' energy: -26.562
flat angles C4'-P-C4' energy: -28.925
flat angles P-C4'-P energy: -22.448
tors. eta vs tors. theta energy: -41.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -465.668748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.668748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.668748 (E_RNA)
where:
Base-Base interactions energy: -329.216
where: short stacking energy: -139.187
Base-Backbone interact. energy: -0.473
local terms energy: -135.978890
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -23.245
flat angles C4'-P-C4' energy: -28.995
flat angles P-C4'-P energy: -22.101
tors. eta vs tors. theta energy: -39.319
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: 4, replica: 9
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -466.881765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.881765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.881765 (E_RNA)
where:
Base-Base interactions energy: -326.447
where: short stacking energy: -141.809
Base-Backbone interact. energy: -0.300
local terms energy: -140.134464
where:
bonds (distance) C4'-P energy: -27.374
bonds (distance) P-C4' energy: -30.388
flat angles C4'-P-C4' energy: -26.583
flat angles P-C4'-P energy: -18.662
tors. eta vs tors. theta energy: -37.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -446.852920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.852920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.852920 (E_RNA)
where:
Base-Base interactions energy: -311.369
where: short stacking energy: -135.435
Base-Backbone interact. energy: -0.042
local terms energy: -135.441273
where:
bonds (distance) C4'-P energy: -21.956
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -31.078
flat angles P-C4'-P energy: -17.938
tors. eta vs tors. theta energy: -44.981
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: 8
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -367.025759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.025759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.025759 (E_RNA)
where:
Base-Base interactions energy: -244.980
where: short stacking energy: -118.066
Base-Backbone interact. energy: 1.881
local terms energy: -123.926561
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -25.841
flat angles C4'-P-C4' energy: -29.788
flat angles P-C4'-P energy: -17.354
tors. eta vs tors. theta energy: -33.494
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: 143
Temperature: 1.200000
Total energy: -326.928805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.928805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.928805 (E_RNA)
where:
Base-Base interactions energy: -219.799
where: short stacking energy: -99.023
Base-Backbone interact. energy: 0.564
local terms energy: -107.694035
where:
bonds (distance) C4'-P energy: -25.369
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -24.260
flat angles P-C4'-P energy: -18.656
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -223.628077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.628077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.628077 (E_RNA)
where:
Base-Base interactions energy: -127.209
where: short stacking energy: -77.057
Base-Backbone interact. energy: -1.156
local terms energy: -95.262772
where:
bonds (distance) C4'-P energy: -22.658
bonds (distance) P-C4' energy: -22.788
flat angles C4'-P-C4' energy: -22.338
flat angles P-C4'-P energy: -16.897
tors. eta vs tors. theta energy: -10.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -216.976319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.976319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.976319 (E_RNA)
where:
Base-Base interactions energy: -125.966
where: short stacking energy: -58.966
Base-Backbone interact. energy: -0.564
local terms energy: -90.446442
where:
bonds (distance) C4'-P energy: -25.059
bonds (distance) P-C4' energy: -32.592
flat angles C4'-P-C4' energy: -24.220
flat angles P-C4'-P energy: -4.022
tors. eta vs tors. theta energy: -4.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -134.797294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.797294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.797294 (E_RNA)
where:
Base-Base interactions energy: -49.122
where: short stacking energy: -38.296
Base-Backbone interact. energy: -0.536
local terms energy: -85.139199
where:
bonds (distance) C4'-P energy: -20.804
bonds (distance) P-C4' energy: -28.207
flat angles C4'-P-C4' energy: -19.122
flat angles P-C4'-P energy: -15.889
tors. eta vs tors. theta energy: -1.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -530.410754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.410754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.410754 (E_RNA)
where:
Base-Base interactions energy: -361.782
where: short stacking energy: -147.727
Base-Backbone interact. energy: -0.710
local terms energy: -167.918493
where:
bonds (distance) C4'-P energy: -33.103
bonds (distance) P-C4' energy: -32.278
flat angles C4'-P-C4' energy: -32.313
flat angles P-C4'-P energy: -21.648
tors. eta vs tors. theta energy: -48.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -490.615103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.615103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.615103 (E_RNA)
where:
Base-Base interactions energy: -342.980
where: short stacking energy: -129.406
Base-Backbone interact. energy: -0.074
local terms energy: -147.560998
where:
bonds (distance) C4'-P energy: -29.140
bonds (distance) P-C4' energy: -21.616
flat angles C4'-P-C4' energy: -29.963
flat angles P-C4'-P energy: -28.747
tors. eta vs tors. theta energy: -38.095
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: 9
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -479.140731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.140731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.140731 (E_RNA)
where:
Base-Base interactions energy: -335.169
where: short stacking energy: -143.865
Base-Backbone interact. energy: -0.658
local terms energy: -143.312918
where:
bonds (distance) C4'-P energy: -24.968
bonds (distance) P-C4' energy: -23.044
flat angles C4'-P-C4' energy: -31.071
flat angles P-C4'-P energy: -23.810
tors. eta vs tors. theta energy: -40.420
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: 3
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -463.985834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.985834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.985834 (E_RNA)
where:
Base-Base interactions energy: -323.561
where: short stacking energy: -143.177
Base-Backbone interact. energy: -0.633
local terms energy: -139.791741
where:
bonds (distance) C4'-P energy: -26.024
bonds (distance) P-C4' energy: -29.768
flat angles C4'-P-C4' energy: -30.552
flat angles P-C4'-P energy: -18.050
tors. eta vs tors. theta energy: -35.397
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: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -449.381650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.381650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.381650 (E_RNA)
where:
Base-Base interactions energy: -314.092
where: short stacking energy: -130.249
Base-Backbone interact. energy: -0.064
local terms energy: -135.226093
where:
bonds (distance) C4'-P energy: -27.554
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -30.093
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -42.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -375.276454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.276454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.276454 (E_RNA)
where:
Base-Base interactions energy: -242.169
where: short stacking energy: -111.134
Base-Backbone interact. energy: -0.899
local terms energy: -132.207865
where:
bonds (distance) C4'-P energy: -26.242
bonds (distance) P-C4' energy: -23.202
flat angles C4'-P-C4' energy: -30.588
flat angles P-C4'-P energy: -20.764
tors. eta vs tors. theta energy: -31.412
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: 7, replica: 1
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -317.082214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.082214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.082214 (E_RNA)
where:
Base-Base interactions energy: -212.757
where: short stacking energy: -95.567
Base-Backbone interact. energy: 1.973
local terms energy: -106.298858
where:
bonds (distance) C4'-P energy: -25.645
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -24.409
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -17.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -230.518654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.518654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.518654 (E_RNA)
where:
Base-Base interactions energy: -151.450
where: short stacking energy: -84.880
Base-Backbone interact. energy: -0.243
local terms energy: -78.826037
where:
bonds (distance) C4'-P energy: -26.180
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -17.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -208.229944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.229944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.229944 (E_RNA)
where:
Base-Base interactions energy: -110.808
where: short stacking energy: -58.524
Base-Backbone interact. energy: 0.775
local terms energy: -98.197166
where:
bonds (distance) C4'-P energy: -26.699
bonds (distance) P-C4' energy: -24.519
flat angles C4'-P-C4' energy: -23.818
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -8.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -130.843419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.843419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.843419 (E_RNA)
where:
Base-Base interactions energy: -60.175
where: short stacking energy: -46.983
Base-Backbone interact. energy: 0.397
local terms energy: -71.065839
where:
bonds (distance) C4'-P energy: -23.001
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -21.779
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: 4.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -524.598745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.598745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.598745 (E_RNA)
where:
Base-Base interactions energy: -364.655
where: short stacking energy: -155.729
Base-Backbone interact. energy: -0.242
local terms energy: -159.701100
where:
bonds (distance) C4'-P energy: -28.154
bonds (distance) P-C4' energy: -31.260
flat angles C4'-P-C4' energy: -32.513
flat angles P-C4'-P energy: -21.806
tors. eta vs tors. theta energy: -45.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -484.389762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.389762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.389762 (E_RNA)
where:
Base-Base interactions energy: -328.236
where: short stacking energy: -143.688
Base-Backbone interact. energy: -0.186
local terms energy: -155.968516
where:
bonds (distance) C4'-P energy: -26.219
bonds (distance) P-C4' energy: -33.003
flat angles C4'-P-C4' energy: -32.769
flat angles P-C4'-P energy: -23.202
tors. eta vs tors. theta energy: -40.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -470.705723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.705723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.705723 (E_RNA)
where:
Base-Base interactions energy: -326.257
where: short stacking energy: -143.161
Base-Backbone interact. energy: -1.093
local terms energy: -143.355088
where:
bonds (distance) C4'-P energy: -24.893
bonds (distance) P-C4' energy: -25.443
flat angles C4'-P-C4' energy: -32.097
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: -43.587
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: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -461.938271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.938271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.938271 (E_RNA)
where:
Base-Base interactions energy: -332.546
where: short stacking energy: -129.508
Base-Backbone interact. energy: -0.867
local terms energy: -128.525726
where:
bonds (distance) C4'-P energy: -23.323
bonds (distance) P-C4' energy: -24.665
flat angles C4'-P-C4' energy: -33.681
flat angles P-C4'-P energy: -18.242
tors. eta vs tors. theta energy: -28.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -456.180849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.180849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.180849 (E_RNA)
where:
Base-Base interactions energy: -327.169
where: short stacking energy: -136.326
Base-Backbone interact. energy: -0.178
local terms energy: -128.834208
where:
bonds (distance) C4'-P energy: -25.034
bonds (distance) P-C4' energy: -23.948
flat angles C4'-P-C4' energy: -31.510
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -33.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -392.577695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.577695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.577695 (E_RNA)
where:
Base-Base interactions energy: -252.308
where: short stacking energy: -122.162
Base-Backbone interact. energy: -0.228
local terms energy: -140.042329
where:
bonds (distance) C4'-P energy: -26.495
bonds (distance) P-C4' energy: -25.948
flat angles C4'-P-C4' energy: -33.092
flat angles P-C4'-P energy: -18.808
tors. eta vs tors. theta energy: -35.699
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: 1
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -321.635075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.635075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.635075 (E_RNA)
where:
Base-Base interactions energy: -209.443
where: short stacking energy: -90.999
Base-Backbone interact. energy: 0.785
local terms energy: -112.976873
where:
bonds (distance) C4'-P energy: -22.155
bonds (distance) P-C4' energy: -30.685
flat angles C4'-P-C4' energy: -31.382
flat angles P-C4'-P energy: -14.964
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: 8, replica: 4
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -264.953153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.953153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.953153 (E_RNA)
where:
Base-Base interactions energy: -167.233
where: short stacking energy: -76.017
Base-Backbone interact. energy: -1.224
local terms energy: -96.495771
where:
bonds (distance) C4'-P energy: -27.892
bonds (distance) P-C4' energy: -25.485
flat angles C4'-P-C4' energy: -21.817
flat angles P-C4'-P energy: -10.895
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: 9, replica: 2
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -224.052557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.052557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.052557 (E_RNA)
where:
Base-Base interactions energy: -126.084
where: short stacking energy: -64.253
Base-Backbone interact. energy: -0.605
local terms energy: -97.363969
where:
bonds (distance) C4'-P energy: -24.441
bonds (distance) P-C4' energy: -21.906
flat angles C4'-P-C4' energy: -24.684
flat angles P-C4'-P energy: -17.242
tors. eta vs tors. theta energy: -9.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -136.026747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.026747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.026747 (E_RNA)
where:
Base-Base interactions energy: -60.653
where: short stacking energy: -38.436
Base-Backbone interact. energy: 0.393
local terms energy: -75.767513
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -26.366
flat angles C4'-P-C4' energy: -22.576
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: 3.406
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: 5
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -521.924918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.924918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.924918 (E_RNA)
where:
Base-Base interactions energy: -359.511
where: short stacking energy: -152.037
Base-Backbone interact. energy: 0.749
local terms energy: -163.163051
where:
bonds (distance) C4'-P energy: -29.170
bonds (distance) P-C4' energy: -34.622
flat angles C4'-P-C4' energy: -28.809
flat angles P-C4'-P energy: -23.213
tors. eta vs tors. theta energy: -47.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -506.994132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.994132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.994132 (E_RNA)
where:
Base-Base interactions energy: -361.324
where: short stacking energy: -152.389
Base-Backbone interact. energy: -0.270
local terms energy: -145.399455
where:
bonds (distance) C4'-P energy: -24.847
bonds (distance) P-C4' energy: -28.661
flat angles C4'-P-C4' energy: -30.345
flat angles P-C4'-P energy: -19.818
tors. eta vs tors. theta energy: -41.727
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: 3, replica: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -459.707925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.707925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.707925 (E_RNA)
where:
Base-Base interactions energy: -310.551
where: short stacking energy: -129.993
Base-Backbone interact. energy: -0.603
local terms energy: -148.553693
where:
bonds (distance) C4'-P energy: -27.424
bonds (distance) P-C4' energy: -25.326
flat angles C4'-P-C4' energy: -32.287
flat angles P-C4'-P energy: -23.575
tors. eta vs tors. theta energy: -39.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -461.446585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.446585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.446585 (E_RNA)
where:
Base-Base interactions energy: -324.261
where: short stacking energy: -139.667
Base-Backbone interact. energy: 0.984
local terms energy: -138.169317
where:
bonds (distance) C4'-P energy: -22.061
bonds (distance) P-C4' energy: -27.769
flat angles C4'-P-C4' energy: -31.464
flat angles P-C4'-P energy: -18.631
tors. eta vs tors. theta energy: -38.246
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: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -449.650905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.650905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.650905 (E_RNA)
where:
Base-Base interactions energy: -312.757
where: short stacking energy: -134.056
Base-Backbone interact. energy: -0.079
local terms energy: -136.815099
where:
bonds (distance) C4'-P energy: -27.730
bonds (distance) P-C4' energy: -22.234
flat angles C4'-P-C4' energy: -26.324
flat angles P-C4'-P energy: -17.339
tors. eta vs tors. theta energy: -43.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -386.132207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.132207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.132207 (E_RNA)
where:
Base-Base interactions energy: -250.265
where: short stacking energy: -115.591
Base-Backbone interact. energy: -0.200
local terms energy: -135.667036
where:
bonds (distance) C4'-P energy: -26.725
bonds (distance) P-C4' energy: -28.206
flat angles C4'-P-C4' energy: -27.981
flat angles P-C4'-P energy: -21.189
tors. eta vs tors. theta energy: -31.566
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: 146
Temperature: 1.200000
Total energy: -290.011003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.011003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.011003 (E_RNA)
where:
Base-Base interactions energy: -178.728
where: short stacking energy: -78.059
Base-Backbone interact. energy: 2.579
local terms energy: -113.861798
where:
bonds (distance) C4'-P energy: -31.670
bonds (distance) P-C4' energy: -27.807
flat angles C4'-P-C4' energy: -26.445
flat angles P-C4'-P energy: -17.176
tors. eta vs tors. theta energy: -10.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -249.579346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.579346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.579346 (E_RNA)
where:
Base-Base interactions energy: -149.953
where: short stacking energy: -72.716
Base-Backbone interact. energy: -0.226
local terms energy: -99.400629
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -23.587
flat angles C4'-P-C4' energy: -21.615
flat angles P-C4'-P energy: -19.629
tors. eta vs tors. theta energy: -12.119
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: 2
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -226.973442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.973442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.973442 (E_RNA)
where:
Base-Base interactions energy: -129.888
where: short stacking energy: -71.026
Base-Backbone interact. energy: -0.568
local terms energy: -96.517675
where:
bonds (distance) C4'-P energy: -22.316
bonds (distance) P-C4' energy: -26.686
flat angles C4'-P-C4' energy: -24.230
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -12.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -144.486309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.486309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.486309 (E_RNA)
where:
Base-Base interactions energy: -63.266
where: short stacking energy: -61.838
Base-Backbone interact. energy: 0.442
local terms energy: -81.662528
where:
bonds (distance) C4'-P energy: -21.738
bonds (distance) P-C4' energy: -24.864
flat angles C4'-P-C4' energy: -21.845
flat angles P-C4'-P energy: -1.113
tors. eta vs tors. theta energy: -12.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -530.716995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.716995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.716995 (E_RNA)
where:
Base-Base interactions energy: -368.254
where: short stacking energy: -166.226
Base-Backbone interact. energy: -0.003
local terms energy: -162.460352
where:
bonds (distance) C4'-P energy: -32.828
bonds (distance) P-C4' energy: -27.046
flat angles C4'-P-C4' energy: -29.330
flat angles P-C4'-P energy: -24.660
tors. eta vs tors. theta energy: -48.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -469.780595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.780595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.780595 (E_RNA)
where:
Base-Base interactions energy: -323.883
where: short stacking energy: -128.911
Base-Backbone interact. energy: -0.608
local terms energy: -145.289372
where:
bonds (distance) C4'-P energy: -25.683
bonds (distance) P-C4' energy: -28.033
flat angles C4'-P-C4' energy: -28.648
flat angles P-C4'-P energy: -23.044
tors. eta vs tors. theta energy: -39.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -480.964616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.964616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.964616 (E_RNA)
where:
Base-Base interactions energy: -337.538
where: short stacking energy: -150.253
Base-Backbone interact. energy: -0.185
local terms energy: -143.241925
where:
bonds (distance) C4'-P energy: -26.527
bonds (distance) P-C4' energy: -26.565
flat angles C4'-P-C4' energy: -29.781
flat angles P-C4'-P energy: -19.665
tors. eta vs tors. theta energy: -40.704
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: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -458.095925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.095925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.095925 (E_RNA)
where:
Base-Base interactions energy: -324.270
where: short stacking energy: -137.261
Base-Backbone interact. energy: -0.106
local terms energy: -133.720258
where:
bonds (distance) C4'-P energy: -25.509
bonds (distance) P-C4' energy: -22.266
flat angles C4'-P-C4' energy: -29.004
flat angles P-C4'-P energy: -17.433
tors. eta vs tors. theta energy: -39.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -445.734584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.734584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.734584 (E_RNA)
where:
Base-Base interactions energy: -301.074
where: short stacking energy: -133.926
Base-Backbone interact. energy: -0.266
local terms energy: -144.394374
where:
bonds (distance) C4'-P energy: -27.821
bonds (distance) P-C4' energy: -28.968
flat angles C4'-P-C4' energy: -31.219
flat angles P-C4'-P energy: -19.821
tors. eta vs tors. theta energy: -36.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -369.699352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.699352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.699352 (E_RNA)
where:
Base-Base interactions energy: -243.097
where: short stacking energy: -118.330
Base-Backbone interact. energy: -0.696
local terms energy: -125.906016
where:
bonds (distance) C4'-P energy: -25.473
bonds (distance) P-C4' energy: -28.378
flat angles C4'-P-C4' energy: -24.749
flat angles P-C4'-P energy: -19.563
tors. eta vs tors. theta energy: -27.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -312.224834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.224834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.224834 (E_RNA)
where:
Base-Base interactions energy: -201.879
where: short stacking energy: -84.026
Base-Backbone interact. energy: -0.329
local terms energy: -110.017244
where:
bonds (distance) C4'-P energy: -21.010
bonds (distance) P-C4' energy: -32.235
flat angles C4'-P-C4' energy: -26.809
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -16.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -218.597677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.597677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.597677 (E_RNA)
where:
Base-Base interactions energy: -126.495
where: short stacking energy: -63.702
Base-Backbone interact. energy: -0.335
local terms energy: -91.767157
where:
bonds (distance) C4'-P energy: -25.106
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -25.668
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -9.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -211.949105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.949105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.949105 (E_RNA)
where:
Base-Base interactions energy: -125.904
where: short stacking energy: -74.273
Base-Backbone interact. energy: -0.484
local terms energy: -85.561888
where:
bonds (distance) C4'-P energy: -18.772
bonds (distance) P-C4' energy: -20.829
flat angles C4'-P-C4' energy: -24.563
flat angles P-C4'-P energy: -15.771
tors. eta vs tors. theta energy: -5.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -141.297690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.297690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.297690 (E_RNA)
where:
Base-Base interactions energy: -64.680
where: short stacking energy: -64.680
Base-Backbone interact. energy: 0.329
local terms energy: -76.946233
where:
bonds (distance) C4'-P energy: -23.323
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -16.906
tors. eta vs tors. theta energy: -7.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -537.274021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.274021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.274021 (E_RNA)
where:
Base-Base interactions energy: -385.542
where: short stacking energy: -157.293
Base-Backbone interact. energy: -0.133
local terms energy: -151.598339
where:
bonds (distance) C4'-P energy: -24.801
bonds (distance) P-C4' energy: -28.134
flat angles C4'-P-C4' energy: -32.088
flat angles P-C4'-P energy: -23.471
tors. eta vs tors. theta energy: -43.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -469.080149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.080149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.080149 (E_RNA)
where:
Base-Base interactions energy: -334.374
where: short stacking energy: -132.282
Base-Backbone interact. energy: -0.504
local terms energy: -134.202607
where:
bonds (distance) C4'-P energy: -28.627
bonds (distance) P-C4' energy: -27.414
flat angles C4'-P-C4' energy: -23.037
flat angles P-C4'-P energy: -15.598
tors. eta vs tors. theta energy: -39.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -475.614118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.614118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.614118 (E_RNA)
where:
Base-Base interactions energy: -331.038
where: short stacking energy: -148.830
Base-Backbone interact. energy: -0.064
local terms energy: -144.511583
where:
bonds (distance) C4'-P energy: -26.520
bonds (distance) P-C4' energy: -26.099
flat angles C4'-P-C4' energy: -30.556
flat angles P-C4'-P energy: -22.318
tors. eta vs tors. theta energy: -39.018
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: 4, replica: 9
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -470.990436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.990436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.990436 (E_RNA)
where:
Base-Base interactions energy: -331.449
where: short stacking energy: -139.391
Base-Backbone interact. energy: -1.136
local terms energy: -138.405354
where:
bonds (distance) C4'-P energy: -23.916
bonds (distance) P-C4' energy: -24.917
flat angles C4'-P-C4' energy: -31.672
flat angles P-C4'-P energy: -18.773
tors. eta vs tors. theta energy: -39.127
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: 148
Temperature: 1.100000
Total energy: -455.255868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.255868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.255868 (E_RNA)
where:
Base-Base interactions energy: -311.837
where: short stacking energy: -140.534
Base-Backbone interact. energy: -0.476
local terms energy: -142.943262
where:
bonds (distance) C4'-P energy: -23.409
bonds (distance) P-C4' energy: -27.077
flat angles C4'-P-C4' energy: -25.640
flat angles P-C4'-P energy: -22.506
tors. eta vs tors. theta energy: -44.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -371.824429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.824429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.824429 (E_RNA)
where:
Base-Base interactions energy: -240.354
where: short stacking energy: -110.193
Base-Backbone interact. energy: -0.034
local terms energy: -131.435874
where:
bonds (distance) C4'-P energy: -28.015
bonds (distance) P-C4' energy: -22.292
flat angles C4'-P-C4' energy: -33.107
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: -33.920
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: 148
Temperature: 1.200000
Total energy: -308.762190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.762190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.762190 (E_RNA)
where:
Base-Base interactions energy: -207.933
where: short stacking energy: -90.514
Base-Backbone interact. energy: -1.268
local terms energy: -99.560899
where:
bonds (distance) C4'-P energy: -24.522
bonds (distance) P-C4' energy: -19.531
flat angles C4'-P-C4' energy: -25.856
flat angles P-C4'-P energy: -15.840
tors. eta vs tors. theta energy: -13.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -216.252795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.252795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.252795 (E_RNA)
where:
Base-Base interactions energy: -110.190
where: short stacking energy: -68.564
Base-Backbone interact. energy: -0.460
local terms energy: -105.602350
where:
bonds (distance) C4'-P energy: -24.930
bonds (distance) P-C4' energy: -30.579
flat angles C4'-P-C4' energy: -26.396
flat angles P-C4'-P energy: -17.904
tors. eta vs tors. theta energy: -5.793
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: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -147.566400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.566400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.566400 (E_RNA)
where:
Base-Base interactions energy: -59.011
where: short stacking energy: -50.834
Base-Backbone interact. energy: -0.989
local terms energy: -87.566670
where:
bonds (distance) C4'-P energy: -28.600
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -15.949
tors. eta vs tors. theta energy: -6.367
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: 4
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -198.688824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.688824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.688824 (E_RNA)
where:
Base-Base interactions energy: -106.602
where: short stacking energy: -50.458
Base-Backbone interact. energy: -0.737
local terms energy: -91.349717
where:
bonds (distance) C4'-P energy: -22.156
bonds (distance) P-C4' energy: -27.927
flat angles C4'-P-C4' energy: -25.292
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -2.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -521.093758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.093758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.093758 (E_RNA)
where:
Base-Base interactions energy: -363.454
where: short stacking energy: -153.602
Base-Backbone interact. energy: 0.674
local terms energy: -158.313759
where:
bonds (distance) C4'-P energy: -24.089
bonds (distance) P-C4' energy: -34.747
flat angles C4'-P-C4' energy: -32.970
flat angles P-C4'-P energy: -18.660
tors. eta vs tors. theta energy: -47.848
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: 2, replica: 10
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -466.285883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.285883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.285883 (E_RNA)
where:
Base-Base interactions energy: -328.215
where: short stacking energy: -132.814
Base-Backbone interact. energy: -0.948
local terms energy: -137.123247
where:
bonds (distance) C4'-P energy: -25.870
bonds (distance) P-C4' energy: -26.971
flat angles C4'-P-C4' energy: -26.594
flat angles P-C4'-P energy: -19.482
tors. eta vs tors. theta energy: -38.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -502.738173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.738173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.738173 (E_RNA)
where:
Base-Base interactions energy: -349.827
where: short stacking energy: -148.544
Base-Backbone interact. energy: -1.022
local terms energy: -151.889568
where:
bonds (distance) C4'-P energy: -28.898
bonds (distance) P-C4' energy: -29.913
flat angles C4'-P-C4' energy: -30.399
flat angles P-C4'-P energy: -25.305
tors. eta vs tors. theta energy: -37.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -466.842464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.842464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.842464 (E_RNA)
where:
Base-Base interactions energy: -326.536
where: short stacking energy: -139.015
Base-Backbone interact. energy: -0.195
local terms energy: -140.111206
where:
bonds (distance) C4'-P energy: -25.075
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -31.436
flat angles P-C4'-P energy: -17.460
tors. eta vs tors. theta energy: -43.365
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: 9
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -472.064013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.064013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.064013 (E_RNA)
where:
Base-Base interactions energy: -324.265
where: short stacking energy: -136.253
Base-Backbone interact. energy: -0.066
local terms energy: -147.732935
where:
bonds (distance) C4'-P energy: -29.598
bonds (distance) P-C4' energy: -28.048
flat angles C4'-P-C4' energy: -33.963
flat angles P-C4'-P energy: -16.304
tors. eta vs tors. theta energy: -39.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -359.080649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.080649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.080649 (E_RNA)
where:
Base-Base interactions energy: -231.413
where: short stacking energy: -111.640
Base-Backbone interact. energy: -0.262
local terms energy: -127.404996
where:
bonds (distance) C4'-P energy: -23.279
bonds (distance) P-C4' energy: -29.100
flat angles C4'-P-C4' energy: -28.070
flat angles P-C4'-P energy: -19.671
tors. eta vs tors. theta energy: -27.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -294.313955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.313955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.313955 (E_RNA)
where:
Base-Base interactions energy: -192.597
where: short stacking energy: -82.514
Base-Backbone interact. energy: 1.064
local terms energy: -102.781303
where:
bonds (distance) C4'-P energy: -23.270
bonds (distance) P-C4' energy: -25.755
flat angles C4'-P-C4' energy: -27.040
flat angles P-C4'-P energy: -16.167
tors. eta vs tors. theta energy: -10.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -207.831500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.831500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.831500 (E_RNA)
where:
Base-Base interactions energy: -118.517
where: short stacking energy: -60.764
Base-Backbone interact. energy: 0.047
local terms energy: -89.361374
where:
bonds (distance) C4'-P energy: -21.111
bonds (distance) P-C4' energy: -24.005
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -17.795
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: 7
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -148.472562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.472562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.472562 (E_RNA)
where:
Base-Base interactions energy: -57.907
where: short stacking energy: -53.940
Base-Backbone interact. energy: 0.547
local terms energy: -91.113095
where:
bonds (distance) C4'-P energy: -23.291
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -23.652
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -11.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -197.327223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.327223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.327223 (E_RNA)
where:
Base-Base interactions energy: -102.430
where: short stacking energy: -65.613
Base-Backbone interact. energy: -0.296
local terms energy: -94.601204
where:
bonds (distance) C4'-P energy: -26.252
bonds (distance) P-C4' energy: -32.525
flat angles C4'-P-C4' energy: -21.581
flat angles P-C4'-P energy: -7.492
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: 1, replica: 5
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -521.147480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.147480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.147480 (E_RNA)
where:
Base-Base interactions energy: -372.477
where: short stacking energy: -150.421
Base-Backbone interact. energy: -0.043
local terms energy: -148.627781
where:
bonds (distance) C4'-P energy: -21.150
bonds (distance) P-C4' energy: -31.831
flat angles C4'-P-C4' energy: -30.006
flat angles P-C4'-P energy: -21.110
tors. eta vs tors. theta energy: -44.531
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: 2, replica: 10
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -477.736739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.736739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.736739 (E_RNA)
where:
Base-Base interactions energy: -316.621
where: short stacking energy: -138.323
Base-Backbone interact. energy: -0.630
local terms energy: -160.485785
where:
bonds (distance) C4'-P energy: -29.683
bonds (distance) P-C4' energy: -29.838
flat angles C4'-P-C4' energy: -34.048
flat angles P-C4'-P energy: -22.728
tors. eta vs tors. theta energy: -44.189
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: 6
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -486.322772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.322772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.322772 (E_RNA)
where:
Base-Base interactions energy: -337.023
where: short stacking energy: -144.611
Base-Backbone interact. energy: -0.379
local terms energy: -148.920722
where:
bonds (distance) C4'-P energy: -24.485
bonds (distance) P-C4' energy: -26.315
flat angles C4'-P-C4' energy: -34.363
flat angles P-C4'-P energy: -24.784
tors. eta vs tors. theta energy: -38.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -445.447818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.447818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.447818 (E_RNA)
where:
Base-Base interactions energy: -295.316
where: short stacking energy: -134.076
Base-Backbone interact. energy: -0.215
local terms energy: -149.917049
where:
bonds (distance) C4'-P energy: -29.781
bonds (distance) P-C4' energy: -27.421
flat angles C4'-P-C4' energy: -31.005
flat angles P-C4'-P energy: -21.616
tors. eta vs tors. theta energy: -40.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -462.578911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.578911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.578911 (E_RNA)
where:
Base-Base interactions energy: -315.898
where: short stacking energy: -133.523
Base-Backbone interact. energy: -0.464
local terms energy: -146.217238
where:
bonds (distance) C4'-P energy: -29.539
bonds (distance) P-C4' energy: -26.224
flat angles C4'-P-C4' energy: -29.854
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: -37.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -387.661503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.661503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.661503 (E_RNA)
where:
Base-Base interactions energy: -247.835
where: short stacking energy: -119.518
Base-Backbone interact. energy: 1.055
local terms energy: -140.881269
where:
bonds (distance) C4'-P energy: -29.007
bonds (distance) P-C4' energy: -29.941
flat angles C4'-P-C4' energy: -31.065
flat angles P-C4'-P energy: -18.320
tors. eta vs tors. theta energy: -32.549
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: 7, replica: 1
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -304.019367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.019367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.019367 (E_RNA)
where:
Base-Base interactions energy: -201.740
where: short stacking energy: -96.016
Base-Backbone interact. energy: -0.602
local terms energy: -101.677791
where:
bonds (distance) C4'-P energy: -22.357
bonds (distance) P-C4' energy: -26.048
flat angles C4'-P-C4' energy: -23.892
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -21.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -250.269156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.269156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.269156 (E_RNA)
where:
Base-Base interactions energy: -136.755
where: short stacking energy: -76.579
Base-Backbone interact. energy: -0.435
local terms energy: -113.078829
where:
bonds (distance) C4'-P energy: -32.194
bonds (distance) P-C4' energy: -28.711
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -16.759
tors. eta vs tors. theta energy: -16.750
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: 4
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -202.436368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.436368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.436368 (E_RNA)
where:
Base-Base interactions energy: -106.138
where: short stacking energy: -71.625
Base-Backbone interact. energy: -0.419
local terms energy: -95.879893
where:
bonds (distance) C4'-P energy: -29.621
bonds (distance) P-C4' energy: -25.675
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -7.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -139.257968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.257968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.257968 (E_RNA)
where:
Base-Base interactions energy: -45.797
where: short stacking energy: -38.763
Base-Backbone interact. energy: 1.060
local terms energy: -94.520982
where:
bonds (distance) C4'-P energy: -26.085
bonds (distance) P-C4' energy: -26.369
flat angles C4'-P-C4' energy: -28.605
flat angles P-C4'-P energy: -16.773
tors. eta vs tors. theta energy: 3.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -517.238044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.238044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.238044 (E_RNA)
where:
Base-Base interactions energy: -358.110
where: short stacking energy: -147.099
Base-Backbone interact. energy: -0.098
local terms energy: -159.030310
where:
bonds (distance) C4'-P energy: -30.244
bonds (distance) P-C4' energy: -28.509
flat angles C4'-P-C4' energy: -32.628
flat angles P-C4'-P energy: -20.097
tors. eta vs tors. theta energy: -47.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -471.954374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.954374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.954374 (E_RNA)
where:
Base-Base interactions energy: -330.550
where: short stacking energy: -144.154
Base-Backbone interact. energy: -0.178
local terms energy: -141.226375
where:
bonds (distance) C4'-P energy: -29.927
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -28.131
flat angles P-C4'-P energy: -22.096
tors. eta vs tors. theta energy: -36.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -463.503443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.503443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.503443 (E_RNA)
where:
Base-Base interactions energy: -316.343
where: short stacking energy: -153.261
Base-Backbone interact. energy: 0.193
local terms energy: -147.353762
where:
bonds (distance) C4'-P energy: -27.419
bonds (distance) P-C4' energy: -22.904
flat angles C4'-P-C4' energy: -33.521
flat angles P-C4'-P energy: -21.590
tors. eta vs tors. theta energy: -41.919
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: 9
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -473.711953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.711953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.711953 (E_RNA)
where:
Base-Base interactions energy: -340.331
where: short stacking energy: -140.159
Base-Backbone interact. energy: -1.240
local terms energy: -132.140705
where:
bonds (distance) C4'-P energy: -22.607
bonds (distance) P-C4' energy: -25.698
flat angles C4'-P-C4' energy: -24.928
flat angles P-C4'-P energy: -18.898
tors. eta vs tors. theta energy: -40.011
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: 5, replica: 3
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -450.523816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.523816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.523816 (E_RNA)
where:
Base-Base interactions energy: -308.068
where: short stacking energy: -136.375
Base-Backbone interact. energy: -0.719
local terms energy: -141.737644
where:
bonds (distance) C4'-P energy: -27.204
bonds (distance) P-C4' energy: -29.356
flat angles C4'-P-C4' energy: -30.761
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -40.561
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: 151
Temperature: 1.150000
Total energy: -382.300455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.300455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.300455 (E_RNA)
where:
Base-Base interactions energy: -250.790
where: short stacking energy: -122.993
Base-Backbone interact. energy: -0.230
local terms energy: -131.279960
where:
bonds (distance) C4'-P energy: -22.310
bonds (distance) P-C4' energy: -29.415
flat angles C4'-P-C4' energy: -26.205
flat angles P-C4'-P energy: -19.980
tors. eta vs tors. theta energy: -33.371
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: 7, replica: 1
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -330.327326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.327326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.327326 (E_RNA)
where:
Base-Base interactions energy: -219.900
where: short stacking energy: -104.110
Base-Backbone interact. energy: -0.103
local terms energy: -110.323989
where:
bonds (distance) C4'-P energy: -24.811
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -28.160
flat angles P-C4'-P energy: -14.838
tors. eta vs tors. theta energy: -26.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -239.503746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.503746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.503746 (E_RNA)
where:
Base-Base interactions energy: -143.470
where: short stacking energy: -68.441
Base-Backbone interact. energy: -0.146
local terms energy: -95.887833
where:
bonds (distance) C4'-P energy: -21.611
bonds (distance) P-C4' energy: -24.052
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -17.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -216.010981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.010981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.010981 (E_RNA)
where:
Base-Base interactions energy: -122.280
where: short stacking energy: -72.626
Base-Backbone interact. energy: 0.064
local terms energy: -93.794706
where:
bonds (distance) C4'-P energy: -23.955
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -22.601
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -8.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -160.456027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.456027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.456027 (E_RNA)
where:
Base-Base interactions energy: -60.223
where: short stacking energy: -59.895
Base-Backbone interact. energy: 0.678
local terms energy: -100.911748
where:
bonds (distance) C4'-P energy: -31.181
bonds (distance) P-C4' energy: -28.676
flat angles C4'-P-C4' energy: -23.181
flat angles P-C4'-P energy: -12.309
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: 5
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -523.537598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.537598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.537598 (E_RNA)
where:
Base-Base interactions energy: -371.574
where: short stacking energy: -158.567
Base-Backbone interact. energy: -0.043
local terms energy: -151.920901
where:
bonds (distance) C4'-P energy: -26.987
bonds (distance) P-C4' energy: -26.722
flat angles C4'-P-C4' energy: -31.498
flat angles P-C4'-P energy: -18.644
tors. eta vs tors. theta energy: -48.071
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: 6
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -480.072265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.072265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.072265 (E_RNA)
where:
Base-Base interactions energy: -321.117
where: short stacking energy: -143.514
Base-Backbone interact. energy: 1.944
local terms energy: -160.899265
where:
bonds (distance) C4'-P energy: -31.516
bonds (distance) P-C4' energy: -29.168
flat angles C4'-P-C4' energy: -33.124
flat angles P-C4'-P energy: -26.094
tors. eta vs tors. theta energy: -40.997
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: 9
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -489.335495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.335495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.335495 (E_RNA)
where:
Base-Base interactions energy: -343.250
where: short stacking energy: -140.343
Base-Backbone interact. energy: -0.124
local terms energy: -145.961830
where:
bonds (distance) C4'-P energy: -27.760
bonds (distance) P-C4' energy: -25.200
flat angles C4'-P-C4' energy: -31.185
flat angles P-C4'-P energy: -23.831
tors. eta vs tors. theta energy: -37.986
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: 10
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -459.588732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.588732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.588732 (E_RNA)
where:
Base-Base interactions energy: -308.393
where: short stacking energy: -128.864
Base-Backbone interact. energy: 0.189
local terms energy: -151.384349
where:
bonds (distance) C4'-P energy: -31.600
bonds (distance) P-C4' energy: -26.273
flat angles C4'-P-C4' energy: -33.168
flat angles P-C4'-P energy: -23.869
tors. eta vs tors. theta energy: -36.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -447.882475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.882475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.882475 (E_RNA)
where:
Base-Base interactions energy: -301.109
where: short stacking energy: -138.774
Base-Backbone interact. energy: -0.516
local terms energy: -146.256642
where:
bonds (distance) C4'-P energy: -26.961
bonds (distance) P-C4' energy: -24.923
flat angles C4'-P-C4' energy: -33.899
flat angles P-C4'-P energy: -17.646
tors. eta vs tors. theta energy: -42.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -394.855747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.855747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.855747 (E_RNA)
where:
Base-Base interactions energy: -262.595
where: short stacking energy: -124.880
Base-Backbone interact. energy: 0.594
local terms energy: -132.854698
where:
bonds (distance) C4'-P energy: -24.362
bonds (distance) P-C4' energy: -26.700
flat angles C4'-P-C4' energy: -24.307
flat angles P-C4'-P energy: -18.681
tors. eta vs tors. theta energy: -38.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -328.815318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.815318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.815318 (E_RNA)
where:
Base-Base interactions energy: -210.618
where: short stacking energy: -91.187
Base-Backbone interact. energy: -0.341
local terms energy: -117.856819
where:
bonds (distance) C4'-P energy: -27.361
bonds (distance) P-C4' energy: -28.083
flat angles C4'-P-C4' energy: -29.030
flat angles P-C4'-P energy: -18.335
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: 8, replica: 2
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -223.130935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.130935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.130935 (E_RNA)
where:
Base-Base interactions energy: -116.836
where: short stacking energy: -64.267
Base-Backbone interact. energy: -0.237
local terms energy: -106.058565
where:
bonds (distance) C4'-P energy: -24.526
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -31.376
flat angles P-C4'-P energy: -20.245
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: 4
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -200.060824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.060824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.060824 (E_RNA)
where:
Base-Base interactions energy: -103.796
where: short stacking energy: -65.501
Base-Backbone interact. energy: -0.572
local terms energy: -95.692332
where:
bonds (distance) C4'-P energy: -24.806
bonds (distance) P-C4' energy: -33.195
flat angles C4'-P-C4' energy: -20.721
flat angles P-C4'-P energy: -11.598
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: 10, replica: 7
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -149.825782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.825782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.825782 (E_RNA)
where:
Base-Base interactions energy: -53.509
where: short stacking energy: -53.197
Base-Backbone interact. energy: -0.185
local terms energy: -96.132028
where:
bonds (distance) C4'-P energy: -31.274
bonds (distance) P-C4' energy: -27.428
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -3.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -523.488936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.488936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.488936 (E_RNA)
where:
Base-Base interactions energy: -362.210
where: short stacking energy: -156.964
Base-Backbone interact. energy: -0.068
local terms energy: -161.211197
where:
bonds (distance) C4'-P energy: -29.187
bonds (distance) P-C4' energy: -30.538
flat angles C4'-P-C4' energy: -30.204
flat angles P-C4'-P energy: -27.423
tors. eta vs tors. theta energy: -43.860
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: 153
Temperature: 0.950000
Total energy: -489.948889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.948889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.948889 (E_RNA)
where:
Base-Base interactions energy: -337.809
where: short stacking energy: -136.049
Base-Backbone interact. energy: -0.664
local terms energy: -151.476264
where:
bonds (distance) C4'-P energy: -25.759
bonds (distance) P-C4' energy: -32.057
flat angles C4'-P-C4' energy: -29.202
flat angles P-C4'-P energy: -23.746
tors. eta vs tors. theta energy: -40.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -469.313580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.313580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.313580 (E_RNA)
where:
Base-Base interactions energy: -323.238
where: short stacking energy: -143.474
Base-Backbone interact. energy: -0.610
local terms energy: -145.466399
where:
bonds (distance) C4'-P energy: -28.362
bonds (distance) P-C4' energy: -25.133
flat angles C4'-P-C4' energy: -34.502
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -43.000
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: 3
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -458.020775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.020775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.020775 (E_RNA)
where:
Base-Base interactions energy: -312.393
where: short stacking energy: -140.273
Base-Backbone interact. energy: -0.037
local terms energy: -145.590188
where:
bonds (distance) C4'-P energy: -23.694
bonds (distance) P-C4' energy: -26.124
flat angles C4'-P-C4' energy: -29.573
flat angles P-C4'-P energy: -25.417
tors. eta vs tors. theta energy: -40.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -432.323289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.323289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.323289 (E_RNA)
where:
Base-Base interactions energy: -301.007
where: short stacking energy: -129.256
Base-Backbone interact. energy: -0.660
local terms energy: -130.657093
where:
bonds (distance) C4'-P energy: -22.133
bonds (distance) P-C4' energy: -20.498
flat angles C4'-P-C4' energy: -27.038
flat angles P-C4'-P energy: -22.615
tors. eta vs tors. theta energy: -38.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -377.839925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.839925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.839925 (E_RNA)
where:
Base-Base interactions energy: -254.034
where: short stacking energy: -121.142
Base-Backbone interact. energy: -1.390
local terms energy: -122.415470
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -21.835
flat angles C4'-P-C4' energy: -30.671
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: -35.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -315.318588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.318588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.318588 (E_RNA)
where:
Base-Base interactions energy: -202.577
where: short stacking energy: -86.390
Base-Backbone interact. energy: -1.002
local terms energy: -111.739519
where:
bonds (distance) C4'-P energy: -18.423
bonds (distance) P-C4' energy: -28.887
flat angles C4'-P-C4' energy: -25.022
flat angles P-C4'-P energy: -21.708
tors. eta vs tors. theta energy: -17.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -229.391974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.391974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.391974 (E_RNA)
where:
Base-Base interactions energy: -120.170
where: short stacking energy: -71.730
Base-Backbone interact. energy: 2.641
local terms energy: -111.863892
where:
bonds (distance) C4'-P energy: -29.752
bonds (distance) P-C4' energy: -27.253
flat angles C4'-P-C4' energy: -25.146
flat angles P-C4'-P energy: -18.579
tors. eta vs tors. theta energy: -11.134
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: 2
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -220.844895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.844895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.844895 (E_RNA)
where:
Base-Base interactions energy: -121.678
where: short stacking energy: -57.086
Base-Backbone interact. energy: -0.612
local terms energy: -98.555276
where:
bonds (distance) C4'-P energy: -23.527
bonds (distance) P-C4' energy: -31.221
flat angles C4'-P-C4' energy: -22.863
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -11.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -144.925200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.925200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.925200 (E_RNA)
where:
Base-Base interactions energy: -58.651
where: short stacking energy: -43.113
Base-Backbone interact. energy: -0.542
local terms energy: -85.731948
where:
bonds (distance) C4'-P energy: -26.864
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -20.475
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -3.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -526.520789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.520789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.520789 (E_RNA)
where:
Base-Base interactions energy: -371.332
where: short stacking energy: -159.252
Base-Backbone interact. energy: -0.353
local terms energy: -154.835191
where:
bonds (distance) C4'-P energy: -25.630
bonds (distance) P-C4' energy: -28.302
flat angles C4'-P-C4' energy: -33.450
flat angles P-C4'-P energy: -23.178
tors. eta vs tors. theta energy: -44.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -498.682128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.682128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.682128 (E_RNA)
where:
Base-Base interactions energy: -356.876
where: short stacking energy: -151.932
Base-Backbone interact. energy: -0.390
local terms energy: -141.416594
where:
bonds (distance) C4'-P energy: -22.949
bonds (distance) P-C4' energy: -28.386
flat angles C4'-P-C4' energy: -34.097
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -43.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -475.319530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.319530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.319530 (E_RNA)
where:
Base-Base interactions energy: -322.125
where: short stacking energy: -146.577
Base-Backbone interact. energy: -0.017
local terms energy: -153.177288
where:
bonds (distance) C4'-P energy: -30.595
bonds (distance) P-C4' energy: -31.154
flat angles C4'-P-C4' energy: -33.022
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -39.280
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: 154
Temperature: 1.050000
Total energy: -448.254424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.254424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.254424 (E_RNA)
where:
Base-Base interactions energy: -306.663
where: short stacking energy: -136.023
Base-Backbone interact. energy: -0.545
local terms energy: -141.046178
where:
bonds (distance) C4'-P energy: -26.766
bonds (distance) P-C4' energy: -30.212
flat angles C4'-P-C4' energy: -31.736
flat angles P-C4'-P energy: -18.893
tors. eta vs tors. theta energy: -33.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -427.783344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.783344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.783344 (E_RNA)
where:
Base-Base interactions energy: -293.768
where: short stacking energy: -116.486
Base-Backbone interact. energy: -0.879
local terms energy: -133.135561
where:
bonds (distance) C4'-P energy: -27.193
bonds (distance) P-C4' energy: -26.808
flat angles C4'-P-C4' energy: -26.553
flat angles P-C4'-P energy: -19.730
tors. eta vs tors. theta energy: -32.852
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: 154
Temperature: 1.150000
Total energy: -364.135263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.135263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.135263 (E_RNA)
where:
Base-Base interactions energy: -241.299
where: short stacking energy: -120.933
Base-Backbone interact. energy: -0.513
local terms energy: -122.323477
where:
bonds (distance) C4'-P energy: -25.707
bonds (distance) P-C4' energy: -26.327
flat angles C4'-P-C4' energy: -21.585
flat angles P-C4'-P energy: -18.339
tors. eta vs tors. theta energy: -30.365
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: 7, replica: 1
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -311.941159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.941159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.941159 (E_RNA)
where:
Base-Base interactions energy: -205.698
where: short stacking energy: -86.749
Base-Backbone interact. energy: 0.538
local terms energy: -106.781174
where:
bonds (distance) C4'-P energy: -25.058
bonds (distance) P-C4' energy: -18.978
flat angles C4'-P-C4' energy: -30.279
flat angles P-C4'-P energy: -16.924
tors. eta vs tors. theta energy: -15.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -214.968810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.968810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.968810 (E_RNA)
where:
Base-Base interactions energy: -118.496
where: short stacking energy: -66.734
Base-Backbone interact. energy: -0.367
local terms energy: -96.105781
where:
bonds (distance) C4'-P energy: -24.936
bonds (distance) P-C4' energy: -18.031
flat angles C4'-P-C4' energy: -26.242
flat angles P-C4'-P energy: -17.518
tors. eta vs tors. theta energy: -9.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -250.172542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.172542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.172542 (E_RNA)
where:
Base-Base interactions energy: -161.511
where: short stacking energy: -67.541
Base-Backbone interact. energy: -0.405
local terms energy: -88.256012
where:
bonds (distance) C4'-P energy: -18.871
bonds (distance) P-C4' energy: -27.574
flat angles C4'-P-C4' energy: -21.261
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -12.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -140.074457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.074457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.074457 (E_RNA)
where:
Base-Base interactions energy: -45.319
where: short stacking energy: -41.023
Base-Backbone interact. energy: 0.651
local terms energy: -95.406167
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -29.657
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -21.737
tors. eta vs tors. theta energy: -4.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -521.700198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.700198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.700198 (E_RNA)
where:
Base-Base interactions energy: -365.362
where: short stacking energy: -145.493
Base-Backbone interact. energy: -1.012
local terms energy: -155.325913
where:
bonds (distance) C4'-P energy: -26.346
bonds (distance) P-C4' energy: -26.951
flat angles C4'-P-C4' energy: -30.760
flat angles P-C4'-P energy: -27.986
tors. eta vs tors. theta energy: -43.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -488.440837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.440837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.440837 (E_RNA)
where:
Base-Base interactions energy: -340.881
where: short stacking energy: -146.208
Base-Backbone interact. energy: -0.248
local terms energy: -147.311793
where:
bonds (distance) C4'-P energy: -27.965
bonds (distance) P-C4' energy: -29.647
flat angles C4'-P-C4' energy: -30.023
flat angles P-C4'-P energy: -15.256
tors. eta vs tors. theta energy: -44.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -480.889823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.889823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.889823 (E_RNA)
where:
Base-Base interactions energy: -342.213
where: short stacking energy: -139.183
Base-Backbone interact. energy: -0.109
local terms energy: -138.567966
where:
bonds (distance) C4'-P energy: -22.509
bonds (distance) P-C4' energy: -30.363
flat angles C4'-P-C4' energy: -27.913
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -41.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -469.622337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.622337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.622337 (E_RNA)
where:
Base-Base interactions energy: -323.286
where: short stacking energy: -136.341
Base-Backbone interact. energy: 0.587
local terms energy: -146.923631
where:
bonds (distance) C4'-P energy: -30.859
bonds (distance) P-C4' energy: -20.764
flat angles C4'-P-C4' energy: -31.921
flat angles P-C4'-P energy: -25.886
tors. eta vs tors. theta energy: -37.493
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: 10
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -436.088346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.088346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.088346 (E_RNA)
where:
Base-Base interactions energy: -306.201
where: short stacking energy: -134.780
Base-Backbone interact. energy: -0.207
local terms energy: -129.680483
where:
bonds (distance) C4'-P energy: -26.328
bonds (distance) P-C4' energy: -22.699
flat angles C4'-P-C4' energy: -30.273
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: -33.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -362.145317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.145317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.145317 (E_RNA)
where:
Base-Base interactions energy: -231.223
where: short stacking energy: -97.718
Base-Backbone interact. energy: 0.772
local terms energy: -131.693921
where:
bonds (distance) C4'-P energy: -27.038
bonds (distance) P-C4' energy: -24.916
flat angles C4'-P-C4' energy: -27.590
flat angles P-C4'-P energy: -22.045
tors. eta vs tors. theta energy: -30.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -366.279386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.279386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.279386 (E_RNA)
where:
Base-Base interactions energy: -246.193
where: short stacking energy: -116.284
Base-Backbone interact. energy: -0.193
local terms energy: -119.893605
where:
bonds (distance) C4'-P energy: -22.215
bonds (distance) P-C4' energy: -26.097
flat angles C4'-P-C4' energy: -20.157
flat angles P-C4'-P energy: -20.322
tors. eta vs tors. theta energy: -31.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -277.174351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.174351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.174351 (E_RNA)
where:
Base-Base interactions energy: -181.692
where: short stacking energy: -76.290
Base-Backbone interact. energy: -0.509
local terms energy: -94.973442
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -25.728
flat angles C4'-P-C4' energy: -26.003
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -21.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -203.258954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.258954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.258954 (E_RNA)
where:
Base-Base interactions energy: -118.676
where: short stacking energy: -66.501
Base-Backbone interact. energy: -0.217
local terms energy: -84.365719
where:
bonds (distance) C4'-P energy: -24.339
bonds (distance) P-C4' energy: -22.513
flat angles C4'-P-C4' energy: -24.610
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -4.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -139.939404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.939404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.939404 (E_RNA)
where:
Base-Base interactions energy: -53.373
where: short stacking energy: -49.640
Base-Backbone interact. energy: -0.171
local terms energy: -86.395730
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -28.081
flat angles C4'-P-C4' energy: -23.839
flat angles P-C4'-P energy: -12.360
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: 5
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -526.558311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.558311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.558311 (E_RNA)
where:
Base-Base interactions energy: -368.958
where: short stacking energy: -154.375
Base-Backbone interact. energy: -0.034
local terms energy: -157.566181
where:
bonds (distance) C4'-P energy: -29.996
bonds (distance) P-C4' energy: -31.785
flat angles C4'-P-C4' energy: -33.922
flat angles P-C4'-P energy: -20.197
tors. eta vs tors. theta energy: -41.667
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: 3
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -474.242706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.242706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.242706 (E_RNA)
where:
Base-Base interactions energy: -327.940
where: short stacking energy: -143.824
Base-Backbone interact. energy: -0.985
local terms energy: -145.318586
where:
bonds (distance) C4'-P energy: -23.600
bonds (distance) P-C4' energy: -29.289
flat angles C4'-P-C4' energy: -26.641
flat angles P-C4'-P energy: -20.131
tors. eta vs tors. theta energy: -45.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -467.939145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.939145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.939145 (E_RNA)
where:
Base-Base interactions energy: -325.014
where: short stacking energy: -139.219
Base-Backbone interact. energy: -1.069
local terms energy: -141.857009
where:
bonds (distance) C4'-P energy: -23.023
bonds (distance) P-C4' energy: -31.062
flat angles C4'-P-C4' energy: -30.052
flat angles P-C4'-P energy: -19.252
tors. eta vs tors. theta energy: -38.468
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: 9
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -467.289392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.289392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.289392 (E_RNA)
where:
Base-Base interactions energy: -324.615
where: short stacking energy: -135.047
Base-Backbone interact. energy: -0.944
local terms energy: -141.730285
where:
bonds (distance) C4'-P energy: -20.018
bonds (distance) P-C4' energy: -32.483
flat angles C4'-P-C4' energy: -27.848
flat angles P-C4'-P energy: -23.559
tors. eta vs tors. theta energy: -37.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -448.979331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.979331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.979331 (E_RNA)
where:
Base-Base interactions energy: -309.849
where: short stacking energy: -137.912
Base-Backbone interact. energy: 0.304
local terms energy: -139.434781
where:
bonds (distance) C4'-P energy: -27.514
bonds (distance) P-C4' energy: -26.817
flat angles C4'-P-C4' energy: -29.667
flat angles P-C4'-P energy: -20.437
tors. eta vs tors. theta energy: -35.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -378.822707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.822707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.822707 (E_RNA)
where:
Base-Base interactions energy: -259.726
where: short stacking energy: -109.646
Base-Backbone interact. energy: 0.535
local terms energy: -119.631755
where:
bonds (distance) C4'-P energy: -26.239
bonds (distance) P-C4' energy: -24.468
flat angles C4'-P-C4' energy: -26.852
flat angles P-C4'-P energy: -19.727
tors. eta vs tors. theta energy: -22.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -352.852014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.852014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.852014 (E_RNA)
where:
Base-Base interactions energy: -220.865
where: short stacking energy: -110.666
Base-Backbone interact. energy: -1.717
local terms energy: -130.270189
where:
bonds (distance) C4'-P energy: -22.210
bonds (distance) P-C4' energy: -27.654
flat angles C4'-P-C4' energy: -26.775
flat angles P-C4'-P energy: -22.180
tors. eta vs tors. theta energy: -31.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -259.422649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.422649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.422649 (E_RNA)
where:
Base-Base interactions energy: -151.016
where: short stacking energy: -73.141
Base-Backbone interact. energy: -0.229
local terms energy: -108.177925
where:
bonds (distance) C4'-P energy: -27.356
bonds (distance) P-C4' energy: -23.790
flat angles C4'-P-C4' energy: -19.203
flat angles P-C4'-P energy: -21.165
tors. eta vs tors. theta energy: -16.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -202.339069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.339069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.339069 (E_RNA)
where:
Base-Base interactions energy: -107.295
where: short stacking energy: -49.611
Base-Backbone interact. energy: -0.374
local terms energy: -94.669912
where:
bonds (distance) C4'-P energy: -28.370
bonds (distance) P-C4' energy: -25.435
flat angles C4'-P-C4' energy: -21.161
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -7.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -126.404242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.404242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.404242 (E_RNA)
where:
Base-Base interactions energy: -48.255
where: short stacking energy: -34.292
Base-Backbone interact. energy: -0.358
local terms energy: -77.791247
where:
bonds (distance) C4'-P energy: -19.641
bonds (distance) P-C4' energy: -21.796
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -16.319
tors. eta vs tors. theta energy: -3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -518.577448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.577448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.577448 (E_RNA)
where:
Base-Base interactions energy: -367.466
where: short stacking energy: -158.302
Base-Backbone interact. energy: -0.030
local terms energy: -151.081021
where:
bonds (distance) C4'-P energy: -23.287
bonds (distance) P-C4' energy: -28.685
flat angles C4'-P-C4' energy: -32.402
flat angles P-C4'-P energy: -23.901
tors. eta vs tors. theta energy: -42.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -496.432833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.432833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.432833 (E_RNA)
where:
Base-Base interactions energy: -349.689
where: short stacking energy: -162.198
Base-Backbone interact. energy: -0.005
local terms energy: -146.738677
where:
bonds (distance) C4'-P energy: -24.515
bonds (distance) P-C4' energy: -28.100
flat angles C4'-P-C4' energy: -30.997
flat angles P-C4'-P energy: -16.825
tors. eta vs tors. theta energy: -46.302
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: 3
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -472.072142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.072142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.072142 (E_RNA)
where:
Base-Base interactions energy: -320.870
where: short stacking energy: -154.605
Base-Backbone interact. energy: 1.056
local terms energy: -152.257491
where:
bonds (distance) C4'-P energy: -26.343
bonds (distance) P-C4' energy: -30.293
flat angles C4'-P-C4' energy: -32.177
flat angles P-C4'-P energy: -20.431
tors. eta vs tors. theta energy: -43.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -467.372685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.372685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.372685 (E_RNA)
where:
Base-Base interactions energy: -330.710
where: short stacking energy: -135.644
Base-Backbone interact. energy: -0.348
local terms energy: -136.314612
where:
bonds (distance) C4'-P energy: -24.752
bonds (distance) P-C4' energy: -22.777
flat angles C4'-P-C4' energy: -30.178
flat angles P-C4'-P energy: -19.103
tors. eta vs tors. theta energy: -39.505
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: 10
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -424.032872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.032872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.032872 (E_RNA)
where:
Base-Base interactions energy: -295.633
where: short stacking energy: -125.573
Base-Backbone interact. energy: -1.068
local terms energy: -127.332727
where:
bonds (distance) C4'-P energy: -21.432
bonds (distance) P-C4' energy: -23.908
flat angles C4'-P-C4' energy: -29.098
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -36.174
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: 1
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -369.786233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.786233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.786233 (E_RNA)
where:
Base-Base interactions energy: -259.645
where: short stacking energy: -108.203
Base-Backbone interact. energy: 1.043
local terms energy: -111.184686
where:
bonds (distance) C4'-P energy: -25.968
bonds (distance) P-C4' energy: -26.197
flat angles C4'-P-C4' energy: -27.070
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -361.746059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.746059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.746059 (E_RNA)
where:
Base-Base interactions energy: -247.291
where: short stacking energy: -106.388
Base-Backbone interact. energy: 0.012
local terms energy: -114.467282
where:
bonds (distance) C4'-P energy: -17.425
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -27.101
flat angles P-C4'-P energy: -18.434
tors. eta vs tors. theta energy: -34.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -259.213881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.213881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.213881 (E_RNA)
where:
Base-Base interactions energy: -164.945
where: short stacking energy: -81.745
Base-Backbone interact. energy: -1.180
local terms energy: -93.088519
where:
bonds (distance) C4'-P energy: -24.479
bonds (distance) P-C4' energy: -27.226
flat angles C4'-P-C4' energy: -22.634
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -7.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -212.414371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.414371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.414371 (E_RNA)
where:
Base-Base interactions energy: -113.864
where: short stacking energy: -50.028
Base-Backbone interact. energy: -0.381
local terms energy: -98.169444
where:
bonds (distance) C4'-P energy: -23.945
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -27.502
flat angles P-C4'-P energy: -14.478
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: 10, replica: 7
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -158.586313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.586313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.586313 (E_RNA)
where:
Base-Base interactions energy: -68.738
where: short stacking energy: -60.236
Base-Backbone interact. energy: -0.013
local terms energy: -89.835358
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -29.150
flat angles C4'-P-C4' energy: -21.332
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -7.849
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: 5
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -525.429868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.429868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.429868 (E_RNA)
where:
Base-Base interactions energy: -380.274
where: short stacking energy: -164.524
Base-Backbone interact. energy: -0.892
local terms energy: -144.263258
where:
bonds (distance) C4'-P energy: -25.577
bonds (distance) P-C4' energy: -24.820
flat angles C4'-P-C4' energy: -28.894
flat angles P-C4'-P energy: -20.323
tors. eta vs tors. theta energy: -44.650
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: 2, replica: 6
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -484.249088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.249088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.249088 (E_RNA)
where:
Base-Base interactions energy: -346.114
where: short stacking energy: -153.600
Base-Backbone interact. energy: -0.367
local terms energy: -137.768111
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -23.058
flat angles C4'-P-C4' energy: -29.698
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -44.492
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: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -469.012740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.012740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.012740 (E_RNA)
where:
Base-Base interactions energy: -323.018
where: short stacking energy: -139.405
Base-Backbone interact. energy: -0.010
local terms energy: -145.985523
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -29.263
flat angles C4'-P-C4' energy: -31.557
flat angles P-C4'-P energy: -22.264
tors. eta vs tors. theta energy: -43.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -463.049224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.049224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.049224 (E_RNA)
where:
Base-Base interactions energy: -326.730
where: short stacking energy: -137.892
Base-Backbone interact. energy: -0.165
local terms energy: -136.153766
where:
bonds (distance) C4'-P energy: -27.240
bonds (distance) P-C4' energy: -23.435
flat angles C4'-P-C4' energy: -29.944
flat angles P-C4'-P energy: -19.705
tors. eta vs tors. theta energy: -35.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -428.066535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.066535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.066535 (E_RNA)
where:
Base-Base interactions energy: -297.530
where: short stacking energy: -126.428
Base-Backbone interact. energy: -0.827
local terms energy: -129.710239
where:
bonds (distance) C4'-P energy: -23.631
bonds (distance) P-C4' energy: -29.975
flat angles C4'-P-C4' energy: -29.846
flat angles P-C4'-P energy: -16.981
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: 6, replica: 1
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -342.227903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.227903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.227903 (E_RNA)
where:
Base-Base interactions energy: -241.392
where: short stacking energy: -93.807
Base-Backbone interact. energy: -0.194
local terms energy: -100.641443
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -26.698
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -19.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -366.899841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.899841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.899841 (E_RNA)
where:
Base-Base interactions energy: -242.222
where: short stacking energy: -112.765
Base-Backbone interact. energy: -0.205
local terms energy: -124.472534
where:
bonds (distance) C4'-P energy: -24.898
bonds (distance) P-C4' energy: -23.929
flat angles C4'-P-C4' energy: -25.452
flat angles P-C4'-P energy: -20.342
tors. eta vs tors. theta energy: -29.852
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: 2
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -261.904614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.904614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.904614 (E_RNA)
where:
Base-Base interactions energy: -155.281
where: short stacking energy: -67.384
Base-Backbone interact. energy: -0.532
local terms energy: -106.091874
where:
bonds (distance) C4'-P energy: -24.762
bonds (distance) P-C4' energy: -29.786
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -16.023
tors. eta vs tors. theta energy: -13.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -210.734537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.734537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.734537 (E_RNA)
where:
Base-Base interactions energy: -126.165
where: short stacking energy: -58.600
Base-Backbone interact. energy: 0.029
local terms energy: -84.598796
where:
bonds (distance) C4'-P energy: -22.589
bonds (distance) P-C4' energy: -27.257
flat angles C4'-P-C4' energy: -24.225
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: 0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -160.652761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.652761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.652761 (E_RNA)
where:
Base-Base interactions energy: -72.356
where: short stacking energy: -31.875
Base-Backbone interact. energy: 0.896
local terms energy: -89.193572
where:
bonds (distance) C4'-P energy: -25.900
bonds (distance) P-C4' energy: -23.566
flat angles C4'-P-C4' energy: -27.023
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -519.158055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.158055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.158055 (E_RNA)
where:
Base-Base interactions energy: -358.560
where: short stacking energy: -147.030
Base-Backbone interact. energy: -0.111
local terms energy: -160.486197
where:
bonds (distance) C4'-P energy: -29.153
bonds (distance) P-C4' energy: -34.981
flat angles C4'-P-C4' energy: -29.999
flat angles P-C4'-P energy: -21.094
tors. eta vs tors. theta energy: -45.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -484.583680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.583680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.583680 (E_RNA)
where:
Base-Base interactions energy: -333.560
where: short stacking energy: -161.701
Base-Backbone interact. energy: -0.596
local terms energy: -150.427647
where:
bonds (distance) C4'-P energy: -23.851
bonds (distance) P-C4' energy: -27.669
flat angles C4'-P-C4' energy: -31.032
flat angles P-C4'-P energy: -23.723
tors. eta vs tors. theta energy: -44.152
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: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -472.789064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.789064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.789064 (E_RNA)
where:
Base-Base interactions energy: -319.035
where: short stacking energy: -150.703
Base-Backbone interact. energy: -0.584
local terms energy: -153.169687
where:
bonds (distance) C4'-P energy: -31.712
bonds (distance) P-C4' energy: -25.954
flat angles C4'-P-C4' energy: -28.195
flat angles P-C4'-P energy: -19.117
tors. eta vs tors. theta energy: -48.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -466.742287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.742287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.742287 (E_RNA)
where:
Base-Base interactions energy: -327.306
where: short stacking energy: -142.660
Base-Backbone interact. energy: -0.580
local terms energy: -138.855568
where:
bonds (distance) C4'-P energy: -28.367
bonds (distance) P-C4' energy: -28.715
flat angles C4'-P-C4' energy: -26.362
flat angles P-C4'-P energy: -18.192
tors. eta vs tors. theta energy: -37.219
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: 10
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -416.039041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.039041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.039041 (E_RNA)
where:
Base-Base interactions energy: -298.648
where: short stacking energy: -124.015
Base-Backbone interact. energy: -0.576
local terms energy: -116.815478
where:
bonds (distance) C4'-P energy: -29.407
bonds (distance) P-C4' energy: -23.671
flat angles C4'-P-C4' energy: -22.956
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -27.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -402.100073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.100073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.100073 (E_RNA)
where:
Base-Base interactions energy: -271.652
where: short stacking energy: -135.549
Base-Backbone interact. energy: -0.248
local terms energy: -130.199240
where:
bonds (distance) C4'-P energy: -22.314
bonds (distance) P-C4' energy: -28.165
flat angles C4'-P-C4' energy: -24.195
flat angles P-C4'-P energy: -19.277
tors. eta vs tors. theta energy: -36.248
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: 7, replica: 1
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -330.945731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.945731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.945731 (E_RNA)
where:
Base-Base interactions energy: -220.401
where: short stacking energy: -82.390
Base-Backbone interact. energy: -0.488
local terms energy: -110.056099
where:
bonds (distance) C4'-P energy: -27.096
bonds (distance) P-C4' energy: -26.597
flat angles C4'-P-C4' energy: -24.653
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -13.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -230.119057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.119057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.119057 (E_RNA)
where:
Base-Base interactions energy: -128.676
where: short stacking energy: -71.092
Base-Backbone interact. energy: 2.220
local terms energy: -103.663500
where:
bonds (distance) C4'-P energy: -23.359
bonds (distance) P-C4' energy: -24.688
flat angles C4'-P-C4' energy: -27.868
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: -11.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -214.772313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.772313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.772313 (E_RNA)
where:
Base-Base interactions energy: -113.827
where: short stacking energy: -55.219
Base-Backbone interact. energy: -1.517
local terms energy: -99.428068
where:
bonds (distance) C4'-P energy: -23.391
bonds (distance) P-C4' energy: -26.141
flat angles C4'-P-C4' energy: -25.389
flat angles P-C4'-P energy: -15.778
tors. eta vs tors. theta energy: -8.730
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: 7
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -141.268196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.268196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.268196 (E_RNA)
where:
Base-Base interactions energy: -57.487
where: short stacking energy: -49.740
Base-Backbone interact. energy: 2.027
local terms energy: -85.808159
where:
bonds (distance) C4'-P energy: -26.748
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -21.498
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -10.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -519.268119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.268119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.268119 (E_RNA)
where:
Base-Base interactions energy: -364.972
where: short stacking energy: -155.609
Base-Backbone interact. energy: -0.081
local terms energy: -154.215237
where:
bonds (distance) C4'-P energy: -28.756
bonds (distance) P-C4' energy: -31.815
flat angles C4'-P-C4' energy: -28.628
flat angles P-C4'-P energy: -23.534
tors. eta vs tors. theta energy: -41.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -477.588770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.588770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.588770 (E_RNA)
where:
Base-Base interactions energy: -333.057
where: short stacking energy: -145.445
Base-Backbone interact. energy: -0.014
local terms energy: -144.517528
where:
bonds (distance) C4'-P energy: -23.320
bonds (distance) P-C4' energy: -29.924
flat angles C4'-P-C4' energy: -30.248
flat angles P-C4'-P energy: -19.574
tors. eta vs tors. theta energy: -41.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -481.877915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.877915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.877915 (E_RNA)
where:
Base-Base interactions energy: -341.065
where: short stacking energy: -140.974
Base-Backbone interact. energy: -1.118
local terms energy: -139.695256
where:
bonds (distance) C4'-P energy: -24.868
bonds (distance) P-C4' energy: -30.658
flat angles C4'-P-C4' energy: -28.432
flat angles P-C4'-P energy: -17.926
tors. eta vs tors. theta energy: -37.812
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: 3
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -480.793642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.793642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.793642 (E_RNA)
where:
Base-Base interactions energy: -325.272
where: short stacking energy: -146.342
Base-Backbone interact. energy: -0.770
local terms energy: -154.751574
where:
bonds (distance) C4'-P energy: -28.273
bonds (distance) P-C4' energy: -28.894
flat angles C4'-P-C4' energy: -29.852
flat angles P-C4'-P energy: -19.554
tors. eta vs tors. theta energy: -48.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -431.473576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.473576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.473576 (E_RNA)
where:
Base-Base interactions energy: -296.386
where: short stacking energy: -128.341
Base-Backbone interact. energy: -1.191
local terms energy: -133.896450
where:
bonds (distance) C4'-P energy: -27.566
bonds (distance) P-C4' energy: -23.754
flat angles C4'-P-C4' energy: -27.726
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: -35.829
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: 8
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -390.820719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.820719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.820719 (E_RNA)
where:
Base-Base interactions energy: -255.455
where: short stacking energy: -124.456
Base-Backbone interact. energy: -0.087
local terms energy: -135.279242
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -35.132
flat angles C4'-P-C4' energy: -26.166
flat angles P-C4'-P energy: -17.775
tors. eta vs tors. theta energy: -31.961
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: 160
Temperature: 1.200000
Total energy: -372.426749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.426749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.426749 (E_RNA)
where:
Base-Base interactions energy: -252.901
where: short stacking energy: -112.204
Base-Backbone interact. energy: 0.872
local terms energy: -120.397699
where:
bonds (distance) C4'-P energy: -25.990
bonds (distance) P-C4' energy: -23.954
flat angles C4'-P-C4' energy: -21.310
flat angles P-C4'-P energy: -16.057
tors. eta vs tors. theta energy: -33.086
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: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -222.463543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.463543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.463543 (E_RNA)
where:
Base-Base interactions energy: -133.187
where: short stacking energy: -63.902
Base-Backbone interact. energy: 0.090
local terms energy: -89.366287
where:
bonds (distance) C4'-P energy: -23.891
bonds (distance) P-C4' energy: -26.579
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -6.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -212.038854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.038854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.038854 (E_RNA)
where:
Base-Base interactions energy: -120.226
where: short stacking energy: -60.647
Base-Backbone interact. energy: -0.555
local terms energy: -91.257868
where:
bonds (distance) C4'-P energy: -22.074
bonds (distance) P-C4' energy: -30.548
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -13.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -156.920747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.920747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.920747 (E_RNA)
where:
Base-Base interactions energy: -71.285
where: short stacking energy: -46.822
Base-Backbone interact. energy: -0.287
local terms energy: -85.349092
where:
bonds (distance) C4'-P energy: -26.070
bonds (distance) P-C4' energy: -23.457
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -18.014
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -522.127238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.127238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.127238 (E_RNA)
where:
Base-Base interactions energy: -369.651
where: short stacking energy: -156.228
Base-Backbone interact. energy: -0.007
local terms energy: -152.469525
where:
bonds (distance) C4'-P energy: -32.543
bonds (distance) P-C4' energy: -28.265
flat angles C4'-P-C4' energy: -32.469
flat angles P-C4'-P energy: -17.763
tors. eta vs tors. theta energy: -41.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -484.097381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.097381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.097381 (E_RNA)
where:
Base-Base interactions energy: -341.808
where: short stacking energy: -141.298
Base-Backbone interact. energy: -0.239
local terms energy: -142.050757
where:
bonds (distance) C4'-P energy: -26.513
bonds (distance) P-C4' energy: -28.552
flat angles C4'-P-C4' energy: -32.541
flat angles P-C4'-P energy: -17.274
tors. eta vs tors. theta energy: -37.171
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: 6
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -472.777240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.777240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.777240 (E_RNA)
where:
Base-Base interactions energy: -320.086
where: short stacking energy: -135.445
Base-Backbone interact. energy: -1.279
local terms energy: -151.412865
where:
bonds (distance) C4'-P energy: -29.165
bonds (distance) P-C4' energy: -24.963
flat angles C4'-P-C4' energy: -28.279
flat angles P-C4'-P energy: -25.186
tors. eta vs tors. theta energy: -43.819
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: 4, replica: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -452.488159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.488159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.488159 (E_RNA)
where:
Base-Base interactions energy: -313.113
where: short stacking energy: -135.406
Base-Backbone interact. energy: -0.534
local terms energy: -138.841973
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -27.583
flat angles C4'-P-C4' energy: -31.389
flat angles P-C4'-P energy: -20.618
tors. eta vs tors. theta energy: -36.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -463.368831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.368831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.368831 (E_RNA)
where:
Base-Base interactions energy: -328.000
where: short stacking energy: -147.025
Base-Backbone interact. energy: -0.009
local terms energy: -135.359265
where:
bonds (distance) C4'-P energy: -18.895
bonds (distance) P-C4' energy: -28.347
flat angles C4'-P-C4' energy: -29.322
flat angles P-C4'-P energy: -15.757
tors. eta vs tors. theta energy: -43.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -385.918654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.918654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.918654 (E_RNA)
where:
Base-Base interactions energy: -252.451
where: short stacking energy: -120.112
Base-Backbone interact. energy: -0.536
local terms energy: -132.931089
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -29.212
flat angles C4'-P-C4' energy: -28.740
flat angles P-C4'-P energy: -17.239
tors. eta vs tors. theta energy: -40.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -366.353520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.353520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.353520 (E_RNA)
where:
Base-Base interactions energy: -255.670
where: short stacking energy: -112.734
Base-Backbone interact. energy: -0.280
local terms energy: -110.404000
where:
bonds (distance) C4'-P energy: -21.887
bonds (distance) P-C4' energy: -25.124
flat angles C4'-P-C4' energy: -23.201
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -27.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -233.888357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.888357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.888357 (E_RNA)
where:
Base-Base interactions energy: -124.785
where: short stacking energy: -71.302
Base-Backbone interact. energy: -1.067
local terms energy: -108.036363
where:
bonds (distance) C4'-P energy: -26.330
bonds (distance) P-C4' energy: -26.992
flat angles C4'-P-C4' energy: -26.416
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -17.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -191.704781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.704781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.704781 (E_RNA)
where:
Base-Base interactions energy: -95.757
where: short stacking energy: -55.736
Base-Backbone interact. energy: -0.909
local terms energy: -95.038102
where:
bonds (distance) C4'-P energy: -26.438
bonds (distance) P-C4' energy: -27.744
flat angles C4'-P-C4' energy: -20.231
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -5.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -133.863627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.863627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.863627 (E_RNA)
where:
Base-Base interactions energy: -49.125
where: short stacking energy: -37.948
Base-Backbone interact. energy: 0.744
local terms energy: -85.482383
where:
bonds (distance) C4'-P energy: -24.203
bonds (distance) P-C4' energy: -24.232
flat angles C4'-P-C4' energy: -24.618
flat angles P-C4'-P energy: -11.665
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: 1, replica: 5
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -517.451052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.451052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.451052 (E_RNA)
where:
Base-Base interactions energy: -364.088
where: short stacking energy: -148.537
Base-Backbone interact. energy: -0.625
local terms energy: -152.738390
where:
bonds (distance) C4'-P energy: -26.085
bonds (distance) P-C4' energy: -30.710
flat angles C4'-P-C4' energy: -31.942
flat angles P-C4'-P energy: -21.978
tors. eta vs tors. theta energy: -42.024
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: 9
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -494.337735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.337735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.337735 (E_RNA)
where:
Base-Base interactions energy: -343.635
where: short stacking energy: -152.413
Base-Backbone interact. energy: 0.462
local terms energy: -151.164385
where:
bonds (distance) C4'-P energy: -26.719
bonds (distance) P-C4' energy: -32.806
flat angles C4'-P-C4' energy: -28.557
flat angles P-C4'-P energy: -19.888
tors. eta vs tors. theta energy: -43.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -482.131785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.131785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.131785 (E_RNA)
where:
Base-Base interactions energy: -333.401
where: short stacking energy: -137.126
Base-Backbone interact. energy: -0.907
local terms energy: -147.823795
where:
bonds (distance) C4'-P energy: -24.310
bonds (distance) P-C4' energy: -29.254
flat angles C4'-P-C4' energy: -32.328
flat angles P-C4'-P energy: -22.345
tors. eta vs tors. theta energy: -39.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -447.217385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.217385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.217385 (E_RNA)
where:
Base-Base interactions energy: -306.666
where: short stacking energy: -138.907
Base-Backbone interact. energy: -0.799
local terms energy: -139.752172
where:
bonds (distance) C4'-P energy: -27.480
bonds (distance) P-C4' energy: -26.767
flat angles C4'-P-C4' energy: -24.409
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: -42.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -440.222894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.222894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.222894 (E_RNA)
where:
Base-Base interactions energy: -288.000
where: short stacking energy: -127.946
Base-Backbone interact. energy: -0.690
local terms energy: -151.533273
where:
bonds (distance) C4'-P energy: -29.063
bonds (distance) P-C4' energy: -29.321
flat angles C4'-P-C4' energy: -28.603
flat angles P-C4'-P energy: -20.699
tors. eta vs tors. theta energy: -43.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -349.226264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.226264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.226264 (E_RNA)
where:
Base-Base interactions energy: -219.469
where: short stacking energy: -98.347
Base-Backbone interact. energy: 0.761
local terms energy: -130.518427
where:
bonds (distance) C4'-P energy: -23.820
bonds (distance) P-C4' energy: -26.687
flat angles C4'-P-C4' energy: -30.201
flat angles P-C4'-P energy: -19.740
tors. eta vs tors. theta energy: -30.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -355.688601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.688601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.688601 (E_RNA)
where:
Base-Base interactions energy: -248.342
where: short stacking energy: -106.607
Base-Backbone interact. energy: -1.101
local terms energy: -106.244828
where:
bonds (distance) C4'-P energy: -26.081
bonds (distance) P-C4' energy: -23.332
flat angles C4'-P-C4' energy: -21.433
flat angles P-C4'-P energy: -16.403
tors. eta vs tors. theta energy: -18.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -268.303013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.303013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.303013 (E_RNA)
where:
Base-Base interactions energy: -168.208
where: short stacking energy: -65.776
Base-Backbone interact. energy: 1.899
local terms energy: -101.994248
where:
bonds (distance) C4'-P energy: -27.934
bonds (distance) P-C4' energy: -24.626
flat angles C4'-P-C4' energy: -28.758
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -11.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -198.940179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.940179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.940179 (E_RNA)
where:
Base-Base interactions energy: -106.142
where: short stacking energy: -60.333
Base-Backbone interact. energy: 0.459
local terms energy: -93.257715
where:
bonds (distance) C4'-P energy: -20.190
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -23.217
flat angles P-C4'-P energy: -20.678
tors. eta vs tors. theta energy: -5.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -137.144743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.144743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.144743 (E_RNA)
where:
Base-Base interactions energy: -57.237
where: short stacking energy: -55.370
Base-Backbone interact. energy: -0.409
local terms energy: -79.498988
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -23.586
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -5.113
tors. eta vs tors. theta energy: -7.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -525.223125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.223125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.223125 (E_RNA)
where:
Base-Base interactions energy: -368.288
where: short stacking energy: -144.311
Base-Backbone interact. energy: -0.347
local terms energy: -156.588329
where:
bonds (distance) C4'-P energy: -31.389
bonds (distance) P-C4' energy: -28.570
flat angles C4'-P-C4' energy: -29.476
flat angles P-C4'-P energy: -26.769
tors. eta vs tors. theta energy: -40.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -486.105908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.105908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.105908 (E_RNA)
where:
Base-Base interactions energy: -343.558
where: short stacking energy: -150.448
Base-Backbone interact. energy: -0.108
local terms energy: -142.440065
where:
bonds (distance) C4'-P energy: -29.248
bonds (distance) P-C4' energy: -21.365
flat angles C4'-P-C4' energy: -33.299
flat angles P-C4'-P energy: -16.472
tors. eta vs tors. theta energy: -42.057
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: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -475.822802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.822802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.822802 (E_RNA)
where:
Base-Base interactions energy: -332.511
where: short stacking energy: -138.922
Base-Backbone interact. energy: -1.063
local terms energy: -142.248814
where:
bonds (distance) C4'-P energy: -28.608
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -32.055
flat angles P-C4'-P energy: -16.830
tors. eta vs tors. theta energy: -40.794
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: 10
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -454.349136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.349136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.349136 (E_RNA)
where:
Base-Base interactions energy: -323.668
where: short stacking energy: -137.958
Base-Backbone interact. energy: -1.288
local terms energy: -129.392589
where:
bonds (distance) C4'-P energy: -24.020
bonds (distance) P-C4' energy: -26.335
flat angles C4'-P-C4' energy: -24.345
flat angles P-C4'-P energy: -19.961
tors. eta vs tors. theta energy: -34.731
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: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -447.391386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.391386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.391386 (E_RNA)
where:
Base-Base interactions energy: -310.781
where: short stacking energy: -135.145
Base-Backbone interact. energy: -1.266
local terms energy: -135.344460
where:
bonds (distance) C4'-P energy: -23.138
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -30.429
flat angles P-C4'-P energy: -21.396
tors. eta vs tors. theta energy: -38.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -340.146987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.146987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.146987 (E_RNA)
where:
Base-Base interactions energy: -221.572
where: short stacking energy: -103.469
Base-Backbone interact. energy: 0.042
local terms energy: -118.617353
where:
bonds (distance) C4'-P energy: -20.177
bonds (distance) P-C4' energy: -29.175
flat angles C4'-P-C4' energy: -30.353
flat angles P-C4'-P energy: -17.749
tors. eta vs tors. theta energy: -21.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -321.501511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.501511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.501511 (E_RNA)
where:
Base-Base interactions energy: -202.439
where: short stacking energy: -95.953
Base-Backbone interact. energy: -0.339
local terms energy: -118.723341
where:
bonds (distance) C4'-P energy: -25.892
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -31.683
flat angles P-C4'-P energy: -16.850
tors. eta vs tors. theta energy: -24.869
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: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -229.129198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.129198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.129198 (E_RNA)
where:
Base-Base interactions energy: -134.571
where: short stacking energy: -69.402
Base-Backbone interact. energy: 0.023
local terms energy: -94.581009
where:
bonds (distance) C4'-P energy: -26.230
bonds (distance) P-C4' energy: -24.072
flat angles C4'-P-C4' energy: -25.311
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -10.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -196.560758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.560758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.560758 (E_RNA)
where:
Base-Base interactions energy: -105.257
where: short stacking energy: -68.703
Base-Backbone interact. energy: -0.269
local terms energy: -91.035367
where:
bonds (distance) C4'-P energy: -26.500
bonds (distance) P-C4' energy: -24.484
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -15.441
tors. eta vs tors. theta energy: -9.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -121.840358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.840358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.840358 (E_RNA)
where:
Base-Base interactions energy: -40.962
where: short stacking energy: -38.424
Base-Backbone interact. energy: -0.099
local terms energy: -80.779342
where:
bonds (distance) C4'-P energy: -26.127
bonds (distance) P-C4' energy: -24.856
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -15.399
tors. eta vs tors. theta energy: 6.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -519.307328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.307328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.307328 (E_RNA)
where:
Base-Base interactions energy: -355.449
where: short stacking energy: -158.282
Base-Backbone interact. energy: -0.333
local terms energy: -163.525260
where:
bonds (distance) C4'-P energy: -31.327
bonds (distance) P-C4' energy: -30.059
flat angles C4'-P-C4' energy: -34.770
flat angles P-C4'-P energy: -19.946
tors. eta vs tors. theta energy: -47.422
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: 6
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -483.089344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.089344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.089344 (E_RNA)
where:
Base-Base interactions energy: -338.282
where: short stacking energy: -136.017
Base-Backbone interact. energy: -0.174
local terms energy: -144.633709
where:
bonds (distance) C4'-P energy: -25.126
bonds (distance) P-C4' energy: -27.424
flat angles C4'-P-C4' energy: -28.817
flat angles P-C4'-P energy: -26.205
tors. eta vs tors. theta energy: -37.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -484.870389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.870389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.870389 (E_RNA)
where:
Base-Base interactions energy: -338.474
where: short stacking energy: -149.808
Base-Backbone interact. energy: -0.131
local terms energy: -146.265737
where:
bonds (distance) C4'-P energy: -25.954
bonds (distance) P-C4' energy: -28.983
flat angles C4'-P-C4' energy: -29.062
flat angles P-C4'-P energy: -20.031
tors. eta vs tors. theta energy: -42.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -450.885046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.885046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.885046 (E_RNA)
where:
Base-Base interactions energy: -318.385
where: short stacking energy: -128.714
Base-Backbone interact. energy: 0.602
local terms energy: -133.102274
where:
bonds (distance) C4'-P energy: -21.533
bonds (distance) P-C4' energy: -26.441
flat angles C4'-P-C4' energy: -29.959
flat angles P-C4'-P energy: -26.327
tors. eta vs tors. theta energy: -28.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -453.040531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.040531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.040531 (E_RNA)
where:
Base-Base interactions energy: -296.562
where: short stacking energy: -120.924
Base-Backbone interact. energy: -0.254
local terms energy: -156.224669
where:
bonds (distance) C4'-P energy: -33.198
bonds (distance) P-C4' energy: -31.145
flat angles C4'-P-C4' energy: -28.456
flat angles P-C4'-P energy: -20.178
tors. eta vs tors. theta energy: -43.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -315.461607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.461607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.461607 (E_RNA)
where:
Base-Base interactions energy: -214.674
where: short stacking energy: -88.332
Base-Backbone interact. energy: 0.618
local terms energy: -101.406192
where:
bonds (distance) C4'-P energy: -19.984
bonds (distance) P-C4' energy: -22.057
flat angles C4'-P-C4' energy: -28.355
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -18.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -287.855869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.855869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.855869 (E_RNA)
where:
Base-Base interactions energy: -165.431
where: short stacking energy: -91.121
Base-Backbone interact. energy: 0.376
local terms energy: -122.800680
where:
bonds (distance) C4'-P energy: -22.067
bonds (distance) P-C4' energy: -30.006
flat angles C4'-P-C4' energy: -27.163
flat angles P-C4'-P energy: -19.072
tors. eta vs tors. theta energy: -24.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -239.485985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.485985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.485985 (E_RNA)
where:
Base-Base interactions energy: -152.112
where: short stacking energy: -70.380
Base-Backbone interact. energy: -0.554
local terms energy: -86.819470
where:
bonds (distance) C4'-P energy: -21.665
bonds (distance) P-C4' energy: -25.817
flat angles C4'-P-C4' energy: -4.981
flat angles P-C4'-P energy: -19.969
tors. eta vs tors. theta energy: -14.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -203.250326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.250326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.250326 (E_RNA)
where:
Base-Base interactions energy: -110.294
where: short stacking energy: -63.619
Base-Backbone interact. energy: 1.972
local terms energy: -94.927997
where:
bonds (distance) C4'-P energy: -28.475
bonds (distance) P-C4' energy: -25.049
flat angles C4'-P-C4' energy: -23.950
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -138.636587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.636587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.636587 (E_RNA)
where:
Base-Base interactions energy: -62.090
where: short stacking energy: -43.671
Base-Backbone interact. energy: 3.258
local terms energy: -79.805401
where:
bonds (distance) C4'-P energy: -24.838
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -20.909
flat angles P-C4'-P energy: -9.837
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: 5
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -528.663292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.663292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.663292 (E_RNA)
where:
Base-Base interactions energy: -376.346
where: short stacking energy: -153.196
Base-Backbone interact. energy: -0.639
local terms energy: -151.678109
where:
bonds (distance) C4'-P energy: -29.098
bonds (distance) P-C4' energy: -29.606
flat angles C4'-P-C4' energy: -28.734
flat angles P-C4'-P energy: -21.907
tors. eta vs tors. theta energy: -42.333
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: 165
Temperature: 0.950000
Total energy: -489.803382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.803382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.803382 (E_RNA)
where:
Base-Base interactions energy: -350.224
where: short stacking energy: -152.379
Base-Backbone interact. energy: -0.899
local terms energy: -138.680016
where:
bonds (distance) C4'-P energy: -26.148
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -26.666
flat angles P-C4'-P energy: -20.947
tors. eta vs tors. theta energy: -42.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -484.642140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.642140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.642140 (E_RNA)
where:
Base-Base interactions energy: -339.671
where: short stacking energy: -137.247
Base-Backbone interact. energy: -0.731
local terms energy: -144.240916
where:
bonds (distance) C4'-P energy: -29.687
bonds (distance) P-C4' energy: -25.763
flat angles C4'-P-C4' energy: -30.627
flat angles P-C4'-P energy: -19.505
tors. eta vs tors. theta energy: -38.658
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: 10
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -460.839837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.839837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.839837 (E_RNA)
where:
Base-Base interactions energy: -327.163
where: short stacking energy: -141.979
Base-Backbone interact. energy: -1.014
local terms energy: -132.663564
where:
bonds (distance) C4'-P energy: -23.048
bonds (distance) P-C4' energy: -23.322
flat angles C4'-P-C4' energy: -28.445
flat angles P-C4'-P energy: -20.116
tors. eta vs tors. theta energy: -37.732
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: 5, replica: 3
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -449.314377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.314377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.314377 (E_RNA)
where:
Base-Base interactions energy: -306.160
where: short stacking energy: -145.340
Base-Backbone interact. energy: -0.938
local terms energy: -142.216098
where:
bonds (distance) C4'-P energy: -21.373
bonds (distance) P-C4' energy: -27.726
flat angles C4'-P-C4' energy: -32.963
flat angles P-C4'-P energy: -21.051
tors. eta vs tors. theta energy: -39.102
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: 1
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -359.125238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.125238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.125238 (E_RNA)
where:
Base-Base interactions energy: -249.873
where: short stacking energy: -107.931
Base-Backbone interact. energy: -0.111
local terms energy: -109.141711
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -23.896
flat angles P-C4'-P energy: -20.985
tors. eta vs tors. theta energy: -25.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -234.351919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.351919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.351919 (E_RNA)
where:
Base-Base interactions energy: -130.048
where: short stacking energy: -69.720
Base-Backbone interact. energy: -0.833
local terms energy: -103.470682
where:
bonds (distance) C4'-P energy: -27.546
bonds (distance) P-C4' energy: -28.881
flat angles C4'-P-C4' energy: -22.073
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -11.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -201.414545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.414545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.414545 (E_RNA)
where:
Base-Base interactions energy: -112.058
where: short stacking energy: -58.837
Base-Backbone interact. energy: -0.392
local terms energy: -88.964334
where:
bonds (distance) C4'-P energy: -29.782
bonds (distance) P-C4' energy: -27.071
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: 0.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -144.017805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.017805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.017805 (E_RNA)
where:
Base-Base interactions energy: -42.962
where: short stacking energy: -41.210
Base-Backbone interact. energy: 0.752
local terms energy: -101.807059
where:
bonds (distance) C4'-P energy: -27.949
bonds (distance) P-C4' energy: -28.524
flat angles C4'-P-C4' energy: -22.557
flat angles P-C4'-P energy: -19.259
tors. eta vs tors. theta energy: -3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -141.106808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.106808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.106808 (E_RNA)
where:
Base-Base interactions energy: -52.774
where: short stacking energy: -40.517
Base-Backbone interact. energy: -0.301
local terms energy: -88.031880
where:
bonds (distance) C4'-P energy: -27.446
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -20.151
tors. eta vs tors. theta energy: -1.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -502.159634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.159634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.159634 (E_RNA)
where:
Base-Base interactions energy: -349.901
where: short stacking energy: -154.728
Base-Backbone interact. energy: -0.018
local terms energy: -152.240783
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -23.197
flat angles C4'-P-C4' energy: -30.580
flat angles P-C4'-P energy: -23.867
tors. eta vs tors. theta energy: -45.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -514.731547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.731547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.731547 (E_RNA)
where:
Base-Base interactions energy: -366.178
where: short stacking energy: -147.901
Base-Backbone interact. energy: -0.611
local terms energy: -147.943054
where:
bonds (distance) C4'-P energy: -28.280
bonds (distance) P-C4' energy: -29.250
flat angles C4'-P-C4' energy: -29.812
flat angles P-C4'-P energy: -19.765
tors. eta vs tors. theta energy: -40.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -478.005217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.005217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.005217 (E_RNA)
where:
Base-Base interactions energy: -326.866
where: short stacking energy: -147.316
Base-Backbone interact. energy: -0.941
local terms energy: -150.198470
where:
bonds (distance) C4'-P energy: -24.182
bonds (distance) P-C4' energy: -28.924
flat angles C4'-P-C4' energy: -31.924
flat angles P-C4'-P energy: -24.914
tors. eta vs tors. theta energy: -40.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -452.122105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.122105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.122105 (E_RNA)
where:
Base-Base interactions energy: -319.535
where: short stacking energy: -134.035
Base-Backbone interact. energy: -0.244
local terms energy: -132.343964
where:
bonds (distance) C4'-P energy: -26.750
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -24.907
flat angles P-C4'-P energy: -19.678
tors. eta vs tors. theta energy: -37.262
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: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -448.926615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.926615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.926615 (E_RNA)
where:
Base-Base interactions energy: -304.467
where: short stacking energy: -140.357
Base-Backbone interact. energy: -0.039
local terms energy: -144.420606
where:
bonds (distance) C4'-P energy: -25.634
bonds (distance) P-C4' energy: -22.941
flat angles C4'-P-C4' energy: -32.165
flat angles P-C4'-P energy: -21.078
tors. eta vs tors. theta energy: -42.603
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: 1
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -378.077765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.077765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.077765 (E_RNA)
where:
Base-Base interactions energy: -266.762
where: short stacking energy: -120.455
Base-Backbone interact. energy: -1.049
local terms energy: -110.266850
where:
bonds (distance) C4'-P energy: -22.838
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -28.166
flat angles P-C4'-P energy: -14.527
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: 7, replica: 8
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -226.285636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.285636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.285636 (E_RNA)
where:
Base-Base interactions energy: -117.120
where: short stacking energy: -72.069
Base-Backbone interact. energy: -1.125
local terms energy: -108.040859
where:
bonds (distance) C4'-P energy: -25.946
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -21.559
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -18.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -241.244052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.244052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.244052 (E_RNA)
where:
Base-Base interactions energy: -146.631
where: short stacking energy: -74.953
Base-Backbone interact. energy: -0.316
local terms energy: -94.297201
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -25.035
flat angles C4'-P-C4' energy: -28.109
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -10.107
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: 9, replica: 7
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -140.536176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.536176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.536176 (E_RNA)
where:
Base-Base interactions energy: -50.687
where: short stacking energy: -43.703
Base-Backbone interact. energy: -0.562
local terms energy: -89.287237
where:
bonds (distance) C4'-P energy: -21.475
bonds (distance) P-C4' energy: -28.554
flat angles C4'-P-C4' energy: -23.570
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -1.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -144.434146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.434146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.434146 (E_RNA)
where:
Base-Base interactions energy: -50.696
where: short stacking energy: -45.827
Base-Backbone interact. energy: -0.270
local terms energy: -93.468466
where:
bonds (distance) C4'-P energy: -28.014
bonds (distance) P-C4' energy: -22.835
flat angles C4'-P-C4' energy: -20.535
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -8.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -516.912680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.912680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.912680 (E_RNA)
where:
Base-Base interactions energy: -364.544
where: short stacking energy: -153.190
Base-Backbone interact. energy: -0.164
local terms energy: -152.204575
where:
bonds (distance) C4'-P energy: -31.966
bonds (distance) P-C4' energy: -29.400
flat angles C4'-P-C4' energy: -26.975
flat angles P-C4'-P energy: -21.124
tors. eta vs tors. theta energy: -42.740
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: 5
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -511.972135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.972135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.972135 (E_RNA)
where:
Base-Base interactions energy: -368.414
where: short stacking energy: -147.663
Base-Backbone interact. energy: -0.501
local terms energy: -143.057825
where:
bonds (distance) C4'-P energy: -27.810
bonds (distance) P-C4' energy: -24.880
flat angles C4'-P-C4' energy: -30.661
flat angles P-C4'-P energy: -18.660
tors. eta vs tors. theta energy: -41.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -466.059032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.059032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.059032 (E_RNA)
where:
Base-Base interactions energy: -319.695
where: short stacking energy: -131.781
Base-Backbone interact. energy: 0.070
local terms energy: -146.434326
where:
bonds (distance) C4'-P energy: -29.046
bonds (distance) P-C4' energy: -30.933
flat angles C4'-P-C4' energy: -28.051
flat angles P-C4'-P energy: -18.836
tors. eta vs tors. theta energy: -39.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -468.072891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.072891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.072891 (E_RNA)
where:
Base-Base interactions energy: -313.785
where: short stacking energy: -137.500
Base-Backbone interact. energy: -0.904
local terms energy: -153.383426
where:
bonds (distance) C4'-P energy: -27.327
bonds (distance) P-C4' energy: -28.717
flat angles C4'-P-C4' energy: -31.988
flat angles P-C4'-P energy: -22.027
tors. eta vs tors. theta energy: -43.323
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: 10
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -423.853372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.853372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.853372 (E_RNA)
where:
Base-Base interactions energy: -302.772
where: short stacking energy: -125.563
Base-Backbone interact. energy: 0.101
local terms energy: -121.182275
where:
bonds (distance) C4'-P energy: -31.600
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -20.393
flat angles P-C4'-P energy: -20.104
tors. eta vs tors. theta energy: -31.831
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: 1
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -370.586861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.586861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.586861 (E_RNA)
where:
Base-Base interactions energy: -253.367
where: short stacking energy: -112.005
Base-Backbone interact. energy: -0.679
local terms energy: -116.541090
where:
bonds (distance) C4'-P energy: -18.535
bonds (distance) P-C4' energy: -23.709
flat angles C4'-P-C4' energy: -29.575
flat angles P-C4'-P energy: -20.064
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: 7, replica: 8
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -205.680883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.680883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.680883 (E_RNA)
where:
Base-Base interactions energy: -122.042
where: short stacking energy: -62.398
Base-Backbone interact. energy: -0.369
local terms energy: -83.269895
where:
bonds (distance) C4'-P energy: -17.696
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -25.001
flat angles P-C4'-P energy: -14.864
tors. eta vs tors. theta energy: -7.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -226.122948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.122948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.122948 (E_RNA)
where:
Base-Base interactions energy: -113.222
where: short stacking energy: -74.124
Base-Backbone interact. energy: -1.265
local terms energy: -111.636095
where:
bonds (distance) C4'-P energy: -31.198
bonds (distance) P-C4' energy: -26.179
flat angles C4'-P-C4' energy: -20.020
flat angles P-C4'-P energy: -19.769
tors. eta vs tors. theta energy: -14.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -135.129493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.129493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.129493 (E_RNA)
where:
Base-Base interactions energy: -45.206
where: short stacking energy: -32.116
Base-Backbone interact. energy: -0.472
local terms energy: -89.451464
where:
bonds (distance) C4'-P energy: -23.270
bonds (distance) P-C4' energy: -27.823
flat angles C4'-P-C4' energy: -24.286
flat angles P-C4'-P energy: -16.472
tors. eta vs tors. theta energy: 2.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -137.822294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.822294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.822294 (E_RNA)
where:
Base-Base interactions energy: -45.091
where: short stacking energy: -43.356
Base-Backbone interact. energy: -1.889
local terms energy: -90.842354
where:
bonds (distance) C4'-P energy: -21.781
bonds (distance) P-C4' energy: -26.776
flat angles C4'-P-C4' energy: -19.910
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -7.845
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: 168
Temperature: 0.900000
Total energy: -520.711948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.711948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.711948 (E_RNA)
where:
Base-Base interactions energy: -366.596
where: short stacking energy: -151.941
Base-Backbone interact. energy: -0.052
local terms energy: -154.064255
where:
bonds (distance) C4'-P energy: -24.955
bonds (distance) P-C4' energy: -27.303
flat angles C4'-P-C4' energy: -34.803
flat angles P-C4'-P energy: -23.463
tors. eta vs tors. theta energy: -43.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -477.363385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.363385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.363385 (E_RNA)
where:
Base-Base interactions energy: -335.305
where: short stacking energy: -145.201
Base-Backbone interact. energy: -0.217
local terms energy: -141.841545
where:
bonds (distance) C4'-P energy: -21.237
bonds (distance) P-C4' energy: -28.686
flat angles C4'-P-C4' energy: -26.135
flat angles P-C4'-P energy: -25.825
tors. eta vs tors. theta energy: -39.958
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: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -463.727707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.727707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.727707 (E_RNA)
where:
Base-Base interactions energy: -315.080
where: short stacking energy: -142.301
Base-Backbone interact. energy: -0.648
local terms energy: -148.000350
where:
bonds (distance) C4'-P energy: -28.079
bonds (distance) P-C4' energy: -27.506
flat angles C4'-P-C4' energy: -27.937
flat angles P-C4'-P energy: -21.218
tors. eta vs tors. theta energy: -43.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -461.296337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.296337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.296337 (E_RNA)
where:
Base-Base interactions energy: -324.700
where: short stacking energy: -141.692
Base-Backbone interact. energy: -0.512
local terms energy: -136.084292
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -29.198
flat angles P-C4'-P energy: -21.600
tors. eta vs tors. theta energy: -43.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -444.093139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.093139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.093139 (E_RNA)
where:
Base-Base interactions energy: -304.204
where: short stacking energy: -129.011
Base-Backbone interact. energy: -0.782
local terms energy: -139.106616
where:
bonds (distance) C4'-P energy: -23.697
bonds (distance) P-C4' energy: -26.659
flat angles C4'-P-C4' energy: -27.635
flat angles P-C4'-P energy: -18.802
tors. eta vs tors. theta energy: -42.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -411.914413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.914413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.914413 (E_RNA)
where:
Base-Base interactions energy: -281.160
where: short stacking energy: -125.234
Base-Backbone interact. energy: -0.406
local terms energy: -130.348039
where:
bonds (distance) C4'-P energy: -25.804
bonds (distance) P-C4' energy: -24.486
flat angles C4'-P-C4' energy: -26.725
flat angles P-C4'-P energy: -20.394
tors. eta vs tors. theta energy: -32.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -216.450127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.450127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.450127 (E_RNA)
where:
Base-Base interactions energy: -130.725
where: short stacking energy: -71.390
Base-Backbone interact. energy: -0.646
local terms energy: -85.079081
where:
bonds (distance) C4'-P energy: -22.345
bonds (distance) P-C4' energy: -23.455
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -5.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -203.085419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.085419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.085419 (E_RNA)
where:
Base-Base interactions energy: -116.704
where: short stacking energy: -57.855
Base-Backbone interact. energy: -0.389
local terms energy: -85.992458
where:
bonds (distance) C4'-P energy: -27.739
bonds (distance) P-C4' energy: -22.364
flat angles C4'-P-C4' energy: -25.068
flat angles P-C4'-P energy: -5.577
tors. eta vs tors. theta energy: -5.244
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: 2
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -149.703985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.703985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.703985 (E_RNA)
where:
Base-Base interactions energy: -55.026
where: short stacking energy: -47.480
Base-Backbone interact. energy: -0.470
local terms energy: -94.208577
where:
bonds (distance) C4'-P energy: -21.545
bonds (distance) P-C4' energy: -28.128
flat angles C4'-P-C4' energy: -25.176
flat angles P-C4'-P energy: -16.405
tors. eta vs tors. theta energy: -2.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -126.392150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.392150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.392150 (E_RNA)
where:
Base-Base interactions energy: -41.116
where: short stacking energy: -32.285
Base-Backbone interact. energy: 3.413
local terms energy: -88.689357
where:
bonds (distance) C4'-P energy: -31.559
bonds (distance) P-C4' energy: -30.936
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -6.599
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: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -531.542787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.542787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.542787 (E_RNA)
where:
Base-Base interactions energy: -372.567
where: short stacking energy: -150.866
Base-Backbone interact. energy: -0.098
local terms energy: -158.877746
where:
bonds (distance) C4'-P energy: -31.319
bonds (distance) P-C4' energy: -30.822
flat angles C4'-P-C4' energy: -27.788
flat angles P-C4'-P energy: -24.162
tors. eta vs tors. theta energy: -44.787
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: 9
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -481.165704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.165704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.165704 (E_RNA)
where:
Base-Base interactions energy: -339.590
where: short stacking energy: -133.133
Base-Backbone interact. energy: -0.286
local terms energy: -141.290116
where:
bonds (distance) C4'-P energy: -24.818
bonds (distance) P-C4' energy: -27.756
flat angles C4'-P-C4' energy: -26.146
flat angles P-C4'-P energy: -25.240
tors. eta vs tors. theta energy: -37.330
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: 3, replica: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -471.325554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.325554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.325554 (E_RNA)
where:
Base-Base interactions energy: -324.242
where: short stacking energy: -150.977
Base-Backbone interact. energy: -0.011
local terms energy: -147.073102
where:
bonds (distance) C4'-P energy: -27.311
bonds (distance) P-C4' energy: -33.832
flat angles C4'-P-C4' energy: -29.736
flat angles P-C4'-P energy: -17.437
tors. eta vs tors. theta energy: -38.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -435.398916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.398916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.398916 (E_RNA)
where:
Base-Base interactions energy: -298.177
where: short stacking energy: -133.825
Base-Backbone interact. energy: -0.754
local terms energy: -136.468176
where:
bonds (distance) C4'-P energy: -24.862
bonds (distance) P-C4' energy: -26.593
flat angles C4'-P-C4' energy: -34.397
flat angles P-C4'-P energy: -17.968
tors. eta vs tors. theta energy: -32.648
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: 169
Temperature: 1.100000
Total energy: -436.456630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.456630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.456630 (E_RNA)
where:
Base-Base interactions energy: -300.974
where: short stacking energy: -137.318
Base-Backbone interact. energy: -0.072
local terms energy: -135.411226
where:
bonds (distance) C4'-P energy: -25.621
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -30.579
flat angles P-C4'-P energy: -19.544
tors. eta vs tors. theta energy: -37.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -378.693840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.693840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.693840 (E_RNA)
where:
Base-Base interactions energy: -259.469
where: short stacking energy: -106.768
Base-Backbone interact. energy: -0.425
local terms energy: -118.799395
where:
bonds (distance) C4'-P energy: -26.649
bonds (distance) P-C4' energy: -24.503
flat angles C4'-P-C4' energy: -26.672
flat angles P-C4'-P energy: -16.563
tors. eta vs tors. theta energy: -24.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -208.752546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.752546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.752546 (E_RNA)
where:
Base-Base interactions energy: -106.106
where: short stacking energy: -75.964
Base-Backbone interact. energy: -0.451
local terms energy: -102.195283
where:
bonds (distance) C4'-P energy: -26.259
bonds (distance) P-C4' energy: -22.103
flat angles C4'-P-C4' energy: -22.324
flat angles P-C4'-P energy: -15.666
tors. eta vs tors. theta energy: -15.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -245.926691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.926691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.926691 (E_RNA)
where:
Base-Base interactions energy: -158.759
where: short stacking energy: -68.422
Base-Backbone interact. energy: -0.898
local terms energy: -86.269483
where:
bonds (distance) C4'-P energy: -25.348
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -19.582
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -14.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -156.157950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.157950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.157950 (E_RNA)
where:
Base-Base interactions energy: -66.719
where: short stacking energy: -57.144
Base-Backbone interact. energy: -0.604
local terms energy: -88.834950
where:
bonds (distance) C4'-P energy: -24.660
bonds (distance) P-C4' energy: -24.914
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -10.209
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: 7
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -134.999810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.999810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.999810 (E_RNA)
where:
Base-Base interactions energy: -58.744
where: short stacking energy: -52.985
Base-Backbone interact. energy: 1.053
local terms energy: -77.308837
where:
bonds (distance) C4'-P energy: -25.809
bonds (distance) P-C4' energy: -25.268
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: 8.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -525.211862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.211862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.211862 (E_RNA)
where:
Base-Base interactions energy: -365.788
where: short stacking energy: -148.459
Base-Backbone interact. energy: -1.076
local terms energy: -158.347759
where:
bonds (distance) C4'-P energy: -28.840
bonds (distance) P-C4' energy: -30.891
flat angles C4'-P-C4' energy: -33.545
flat angles P-C4'-P energy: -21.516
tors. eta vs tors. theta energy: -43.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -489.985831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.985831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.985831 (E_RNA)
where:
Base-Base interactions energy: -339.948
where: short stacking energy: -154.231
Base-Backbone interact. energy: -0.040
local terms energy: -149.997829
where:
bonds (distance) C4'-P energy: -27.608
bonds (distance) P-C4' energy: -30.459
flat angles C4'-P-C4' energy: -28.806
flat angles P-C4'-P energy: -23.726
tors. eta vs tors. theta energy: -39.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -464.631319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.631319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.631319 (E_RNA)
where:
Base-Base interactions energy: -317.512
where: short stacking energy: -138.626
Base-Backbone interact. energy: 0.731
local terms energy: -147.850064
where:
bonds (distance) C4'-P energy: -25.600
bonds (distance) P-C4' energy: -23.539
flat angles C4'-P-C4' energy: -30.168
flat angles P-C4'-P energy: -27.548
tors. eta vs tors. theta energy: -40.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -467.162113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.162113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.162113 (E_RNA)
where:
Base-Base interactions energy: -327.537
where: short stacking energy: -146.848
Base-Backbone interact. energy: -0.422
local terms energy: -139.203231
where:
bonds (distance) C4'-P energy: -23.445
bonds (distance) P-C4' energy: -25.666
flat angles C4'-P-C4' energy: -29.126
flat angles P-C4'-P energy: -17.724
tors. eta vs tors. theta energy: -43.242
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: 1
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -404.426845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.426845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.426845 (E_RNA)
where:
Base-Base interactions energy: -275.809
where: short stacking energy: -122.096
Base-Backbone interact. energy: -0.403
local terms energy: -128.214017
where:
bonds (distance) C4'-P energy: -26.973
bonds (distance) P-C4' energy: -25.447
flat angles C4'-P-C4' energy: -23.950
flat angles P-C4'-P energy: -17.833
tors. eta vs tors. theta energy: -34.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -426.097467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.097467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.097467 (E_RNA)
where:
Base-Base interactions energy: -296.353
where: short stacking energy: -120.497
Base-Backbone interact. energy: -0.333
local terms energy: -129.411807
where:
bonds (distance) C4'-P energy: -25.944
bonds (distance) P-C4' energy: -25.484
flat angles C4'-P-C4' energy: -24.294
flat angles P-C4'-P energy: -23.831
tors. eta vs tors. theta energy: -29.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -264.990430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.990430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.990430 (E_RNA)
where:
Base-Base interactions energy: -157.137
where: short stacking energy: -75.696
Base-Backbone interact. energy: -0.610
local terms energy: -107.243686
where:
bonds (distance) C4'-P energy: -23.700
bonds (distance) P-C4' energy: -30.132
flat angles C4'-P-C4' energy: -25.123
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -12.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -208.846066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.846066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.846066 (E_RNA)
where:
Base-Base interactions energy: -103.325
where: short stacking energy: -72.387
Base-Backbone interact. energy: -0.549
local terms energy: -104.972182
where:
bonds (distance) C4'-P energy: -28.422
bonds (distance) P-C4' energy: -28.257
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -14.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -177.090673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.090673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.090673 (E_RNA)
where:
Base-Base interactions energy: -94.537
where: short stacking energy: -58.704
Base-Backbone interact. energy: -0.408
local terms energy: -82.145957
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -20.871
flat angles C4'-P-C4' energy: -26.401
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -4.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -131.040776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.040776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.040776 (E_RNA)
where:
Base-Base interactions energy: -48.611
where: short stacking energy: -48.436
Base-Backbone interact. energy: 1.047
local terms energy: -83.477154
where:
bonds (distance) C4'-P energy: -20.986
bonds (distance) P-C4' energy: -25.343
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -21.289
tors. eta vs tors. theta energy: 0.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -522.741839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.741839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.741839 (E_RNA)
where:
Base-Base interactions energy: -365.623
where: short stacking energy: -156.455
Base-Backbone interact. energy: -0.292
local terms energy: -156.826245
where:
bonds (distance) C4'-P energy: -25.562
bonds (distance) P-C4' energy: -32.167
flat angles C4'-P-C4' energy: -29.376
flat angles P-C4'-P energy: -22.851
tors. eta vs tors. theta energy: -46.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -488.642342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.642342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.642342 (E_RNA)
where:
Base-Base interactions energy: -341.110
where: short stacking energy: -137.482
Base-Backbone interact. energy: -0.246
local terms energy: -147.285734
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -33.133
flat angles C4'-P-C4' energy: -34.150
flat angles P-C4'-P energy: -21.578
tors. eta vs tors. theta energy: -34.686
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: 3, replica: 10
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -469.580015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.580015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.580015 (E_RNA)
where:
Base-Base interactions energy: -319.439
where: short stacking energy: -133.265
Base-Backbone interact. energy: -0.520
local terms energy: -149.620345
where:
bonds (distance) C4'-P energy: -29.645
bonds (distance) P-C4' energy: -30.745
flat angles C4'-P-C4' energy: -29.485
flat angles P-C4'-P energy: -24.138
tors. eta vs tors. theta energy: -35.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -467.639696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.639696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.639696 (E_RNA)
where:
Base-Base interactions energy: -320.002
where: short stacking energy: -141.941
Base-Backbone interact. energy: -0.630
local terms energy: -147.007221
where:
bonds (distance) C4'-P energy: -26.383
bonds (distance) P-C4' energy: -24.766
flat angles C4'-P-C4' energy: -30.232
flat angles P-C4'-P energy: -23.852
tors. eta vs tors. theta energy: -41.773
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: 5, replica: 1
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -433.955507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.955507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.955507 (E_RNA)
where:
Base-Base interactions energy: -305.849
where: short stacking energy: -125.228
Base-Backbone interact. energy: -0.254
local terms energy: -127.852217
where:
bonds (distance) C4'-P energy: -26.695
bonds (distance) P-C4' energy: -27.481
flat angles C4'-P-C4' energy: -19.988
flat angles P-C4'-P energy: -19.531
tors. eta vs tors. theta energy: -34.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -432.051514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.051514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.051514 (E_RNA)
where:
Base-Base interactions energy: -296.806
where: short stacking energy: -124.678
Base-Backbone interact. energy: -0.147
local terms energy: -135.098234
where:
bonds (distance) C4'-P energy: -29.501
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -30.665
flat angles P-C4'-P energy: -20.561
tors. eta vs tors. theta energy: -33.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -290.122490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.122490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.122490 (E_RNA)
where:
Base-Base interactions energy: -188.184
where: short stacking energy: -78.149
Base-Backbone interact. energy: -0.411
local terms energy: -101.528359
where:
bonds (distance) C4'-P energy: -20.058
bonds (distance) P-C4' energy: -33.162
flat angles C4'-P-C4' energy: -27.628
flat angles P-C4'-P energy: -15.706
tors. eta vs tors. theta energy: -4.975
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: 2
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -230.012442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.012442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.012442 (E_RNA)
where:
Base-Base interactions energy: -129.802
where: short stacking energy: -60.906
Base-Backbone interact. energy: -0.996
local terms energy: -99.214055
where:
bonds (distance) C4'-P energy: -23.998
bonds (distance) P-C4' energy: -21.345
flat angles C4'-P-C4' energy: -27.145
flat angles P-C4'-P energy: -17.163
tors. eta vs tors. theta energy: -9.563
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: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -221.759851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.759851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.759851 (E_RNA)
where:
Base-Base interactions energy: -119.948
where: short stacking energy: -70.677
Base-Backbone interact. energy: -0.418
local terms energy: -101.393110
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -22.911
flat angles C4'-P-C4' energy: -29.096
flat angles P-C4'-P energy: -17.933
tors. eta vs tors. theta energy: -11.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -123.294863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.294863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.294863 (E_RNA)
where:
Base-Base interactions energy: -38.990
where: short stacking energy: -35.698
Base-Backbone interact. energy: -0.302
local terms energy: -84.003389
where:
bonds (distance) C4'-P energy: -30.764
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -1.032
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: 9
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -494.077576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.077576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.077576 (E_RNA)
where:
Base-Base interactions energy: -356.719
where: short stacking energy: -144.851
Base-Backbone interact. energy: -0.496
local terms energy: -136.862856
where:
bonds (distance) C4'-P energy: -25.373
bonds (distance) P-C4' energy: -26.285
flat angles C4'-P-C4' energy: -32.934
flat angles P-C4'-P energy: -17.340
tors. eta vs tors. theta energy: -34.931
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: 5
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -514.603781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.603781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.603781 (E_RNA)
where:
Base-Base interactions energy: -364.346
where: short stacking energy: -142.245
Base-Backbone interact. energy: -0.576
local terms energy: -149.682219
where:
bonds (distance) C4'-P energy: -26.254
bonds (distance) P-C4' energy: -30.760
flat angles C4'-P-C4' energy: -31.352
flat angles P-C4'-P energy: -19.399
tors. eta vs tors. theta energy: -41.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -470.454927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.454927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.454927 (E_RNA)
where:
Base-Base interactions energy: -330.851
where: short stacking energy: -152.204
Base-Backbone interact. energy: -0.007
local terms energy: -139.597140
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -31.893
flat angles P-C4'-P energy: -18.039
tors. eta vs tors. theta energy: -45.961
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: 4, replica: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -455.204772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.204772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.204772 (E_RNA)
where:
Base-Base interactions energy: -317.971
where: short stacking energy: -142.076
Base-Backbone interact. energy: -0.696
local terms energy: -136.537424
where:
bonds (distance) C4'-P energy: -25.820
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -27.838
flat angles P-C4'-P energy: -20.948
tors. eta vs tors. theta energy: -38.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -439.989692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.989692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.989692 (E_RNA)
where:
Base-Base interactions energy: -283.624
where: short stacking energy: -122.091
Base-Backbone interact. energy: -0.480
local terms energy: -155.884727
where:
bonds (distance) C4'-P energy: -28.910
bonds (distance) P-C4' energy: -31.422
flat angles C4'-P-C4' energy: -33.144
flat angles P-C4'-P energy: -25.015
tors. eta vs tors. theta energy: -37.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -394.815745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.815745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.815745 (E_RNA)
where:
Base-Base interactions energy: -266.290
where: short stacking energy: -123.594
Base-Backbone interact. energy: -0.374
local terms energy: -128.151937
where:
bonds (distance) C4'-P energy: -24.748
bonds (distance) P-C4' energy: -26.447
flat angles C4'-P-C4' energy: -22.536
flat angles P-C4'-P energy: -19.441
tors. eta vs tors. theta energy: -34.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -252.258690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.258690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.258690 (E_RNA)
where:
Base-Base interactions energy: -146.259
where: short stacking energy: -86.180
Base-Backbone interact. energy: -0.736
local terms energy: -105.263843
where:
bonds (distance) C4'-P energy: -26.685
bonds (distance) P-C4' energy: -24.522
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -20.963
tors. eta vs tors. theta energy: -17.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -279.982420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.982420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.982420 (E_RNA)
where:
Base-Base interactions energy: -178.929
where: short stacking energy: -75.635
Base-Backbone interact. energy: 0.727
local terms energy: -101.780306
where:
bonds (distance) C4'-P energy: -25.247
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -25.402
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -223.864246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.864246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.864246 (E_RNA)
where:
Base-Base interactions energy: -118.253
where: short stacking energy: -67.832
Base-Backbone interact. energy: -0.100
local terms energy: -105.511579
where:
bonds (distance) C4'-P energy: -25.702
bonds (distance) P-C4' energy: -31.568
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -14.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -136.192954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.192954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.192954 (E_RNA)
where:
Base-Base interactions energy: -49.550
where: short stacking energy: -46.499
Base-Backbone interact. energy: 0.125
local terms energy: -86.767902
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -31.200
flat angles C4'-P-C4' energy: -22.055
flat angles P-C4'-P energy: -15.875
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: 1, replica: 9
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -493.157709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.157709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.157709 (E_RNA)
where:
Base-Base interactions energy: -352.335
where: short stacking energy: -142.949
Base-Backbone interact. energy: -0.631
local terms energy: -140.192133
where:
bonds (distance) C4'-P energy: -26.209
bonds (distance) P-C4' energy: -28.056
flat angles C4'-P-C4' energy: -28.332
flat angles P-C4'-P energy: -20.297
tors. eta vs tors. theta energy: -37.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -527.746597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.746597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.746597 (E_RNA)
where:
Base-Base interactions energy: -370.235
where: short stacking energy: -159.351
Base-Backbone interact. energy: -0.335
local terms energy: -157.176618
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -32.816
flat angles C4'-P-C4' energy: -30.299
flat angles P-C4'-P energy: -21.517
tors. eta vs tors. theta energy: -49.097
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: 10
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -463.704134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.704134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.704134 (E_RNA)
where:
Base-Base interactions energy: -317.489
where: short stacking energy: -129.733
Base-Backbone interact. energy: -0.500
local terms energy: -145.715695
where:
bonds (distance) C4'-P energy: -26.330
bonds (distance) P-C4' energy: -28.381
flat angles C4'-P-C4' energy: -30.324
flat angles P-C4'-P energy: -23.572
tors. eta vs tors. theta energy: -37.109
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: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -449.859680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.859680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.859680 (E_RNA)
where:
Base-Base interactions energy: -314.632
where: short stacking energy: -130.798
Base-Backbone interact. energy: -0.103
local terms energy: -135.124602
where:
bonds (distance) C4'-P energy: -28.292
bonds (distance) P-C4' energy: -23.046
flat angles C4'-P-C4' energy: -30.471
flat angles P-C4'-P energy: -20.090
tors. eta vs tors. theta energy: -33.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -440.327159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.327159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.327159 (E_RNA)
where:
Base-Base interactions energy: -302.311
where: short stacking energy: -131.510
Base-Backbone interact. energy: -0.530
local terms energy: -137.486629
where:
bonds (distance) C4'-P energy: -22.751
bonds (distance) P-C4' energy: -23.842
flat angles C4'-P-C4' energy: -29.067
flat angles P-C4'-P energy: -18.369
tors. eta vs tors. theta energy: -43.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -401.332770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.332770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.332770 (E_RNA)
where:
Base-Base interactions energy: -264.804
where: short stacking energy: -117.892
Base-Backbone interact. energy: 1.545
local terms energy: -138.073708
where:
bonds (distance) C4'-P energy: -26.093
bonds (distance) P-C4' energy: -30.618
flat angles C4'-P-C4' energy: -28.573
flat angles P-C4'-P energy: -17.995
tors. eta vs tors. theta energy: -34.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -251.417650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.417650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.417650 (E_RNA)
where:
Base-Base interactions energy: -140.593
where: short stacking energy: -85.459
Base-Backbone interact. energy: -0.188
local terms energy: -110.636699
where:
bonds (distance) C4'-P energy: -23.153
bonds (distance) P-C4' energy: -24.835
flat angles C4'-P-C4' energy: -30.726
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -18.396
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: 8, replica: 8
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -232.692582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.692582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.692582 (E_RNA)
where:
Base-Base interactions energy: -131.840
where: short stacking energy: -63.960
Base-Backbone interact. energy: -0.801
local terms energy: -100.052283
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -24.461
flat angles C4'-P-C4' energy: -21.742
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -21.294
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: 9, replica: 4
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -246.270629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.270629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.270629 (E_RNA)
where:
Base-Base interactions energy: -150.507
where: short stacking energy: -77.158
Base-Backbone interact. energy: -0.462
local terms energy: -95.301921
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -29.131
flat angles C4'-P-C4' energy: -23.038
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -14.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -140.657098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.657098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.657098 (E_RNA)
where:
Base-Base interactions energy: -69.044
where: short stacking energy: -40.590
Base-Backbone interact. energy: -0.742
local terms energy: -70.870921
where:
bonds (distance) C4'-P energy: -22.872
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -25.619
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: 3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -528.604076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.604076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.604076 (E_RNA)
where:
Base-Base interactions energy: -376.356
where: short stacking energy: -164.482
Base-Backbone interact. energy: -0.331
local terms energy: -151.916746
where:
bonds (distance) C4'-P energy: -30.660
bonds (distance) P-C4' energy: -23.809
flat angles C4'-P-C4' energy: -30.966
flat angles P-C4'-P energy: -20.976
tors. eta vs tors. theta energy: -45.507
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: 174
Temperature: 0.950000
Total energy: -478.310524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.310524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.310524 (E_RNA)
where:
Base-Base interactions energy: -343.332
where: short stacking energy: -152.518
Base-Backbone interact. energy: -0.179
local terms energy: -134.799501
where:
bonds (distance) C4'-P energy: -22.215
bonds (distance) P-C4' energy: -23.403
flat angles C4'-P-C4' energy: -28.248
flat angles P-C4'-P energy: -23.850
tors. eta vs tors. theta energy: -37.083
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: 6
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -472.434848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.434848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.434848 (E_RNA)
where:
Base-Base interactions energy: -320.109
where: short stacking energy: -148.353
Base-Backbone interact. energy: -0.007
local terms energy: -152.318654
where:
bonds (distance) C4'-P energy: -27.421
bonds (distance) P-C4' energy: -29.980
flat angles C4'-P-C4' energy: -35.213
flat angles P-C4'-P energy: -19.174
tors. eta vs tors. theta energy: -40.531
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: 10
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -453.298745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.298745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.298745 (E_RNA)
where:
Base-Base interactions energy: -316.452
where: short stacking energy: -133.679
Base-Backbone interact. energy: -0.998
local terms energy: -135.848445
where:
bonds (distance) C4'-P energy: -23.342
bonds (distance) P-C4' energy: -27.863
flat angles C4'-P-C4' energy: -28.438
flat angles P-C4'-P energy: -18.572
tors. eta vs tors. theta energy: -37.633
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: 3
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -458.976072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.976072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.976072 (E_RNA)
where:
Base-Base interactions energy: -316.601
where: short stacking energy: -141.852
Base-Backbone interact. energy: -0.025
local terms energy: -142.349591
where:
bonds (distance) C4'-P energy: -23.532
bonds (distance) P-C4' energy: -26.157
flat angles C4'-P-C4' energy: -27.028
flat angles P-C4'-P energy: -22.041
tors. eta vs tors. theta energy: -43.592
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: 1
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -405.027542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.027542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.027542 (E_RNA)
where:
Base-Base interactions energy: -282.736
where: short stacking energy: -116.147
Base-Backbone interact. energy: -0.226
local terms energy: -122.065834
where:
bonds (distance) C4'-P energy: -29.643
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -20.436
tors. eta vs tors. theta energy: -33.386
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: 7, replica: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -256.005024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.005024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.005024 (E_RNA)
where:
Base-Base interactions energy: -149.978
where: short stacking energy: -72.306
Base-Backbone interact. energy: -0.358
local terms energy: -105.669146
where:
bonds (distance) C4'-P energy: -23.439
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -24.010
flat angles P-C4'-P energy: -20.186
tors. eta vs tors. theta energy: -17.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -238.789235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.789235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.789235 (E_RNA)
where:
Base-Base interactions energy: -139.936
where: short stacking energy: -65.934
Base-Backbone interact. energy: -1.675
local terms energy: -97.178174
where:
bonds (distance) C4'-P energy: -24.049
bonds (distance) P-C4' energy: -26.422
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -20.156
tors. eta vs tors. theta energy: -8.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -138.266942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.266942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.266942 (E_RNA)
where:
Base-Base interactions energy: -58.535
where: short stacking energy: -54.047
Base-Backbone interact. energy: -0.384
local terms energy: -79.347451
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -25.850
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -9.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -221.158781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.158781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.158781 (E_RNA)
where:
Base-Base interactions energy: -132.977
where: short stacking energy: -60.997
Base-Backbone interact. energy: 0.011
local terms energy: -88.193318
where:
bonds (distance) C4'-P energy: -24.565
bonds (distance) P-C4' energy: -20.680
flat angles C4'-P-C4' energy: -28.216
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -6.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -523.892269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.892269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.892269 (E_RNA)
where:
Base-Base interactions energy: -362.987
where: short stacking energy: -160.282
Base-Backbone interact. energy: -0.003
local terms energy: -160.902848
where:
bonds (distance) C4'-P energy: -31.219
bonds (distance) P-C4' energy: -30.397
flat angles C4'-P-C4' energy: -30.950
flat angles P-C4'-P energy: -20.551
tors. eta vs tors. theta energy: -47.787
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: 9
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -491.379454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.379454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.379454 (E_RNA)
where:
Base-Base interactions energy: -336.940
where: short stacking energy: -146.660
Base-Backbone interact. energy: -0.038
local terms energy: -154.401850
where:
bonds (distance) C4'-P energy: -27.764
bonds (distance) P-C4' energy: -29.840
flat angles C4'-P-C4' energy: -30.842
flat angles P-C4'-P energy: -21.378
tors. eta vs tors. theta energy: -44.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -470.483156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.483156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.483156 (E_RNA)
where:
Base-Base interactions energy: -335.075
where: short stacking energy: -150.821
Base-Backbone interact. energy: 0.374
local terms energy: -135.781645
where:
bonds (distance) C4'-P energy: -25.471
bonds (distance) P-C4' energy: -26.450
flat angles C4'-P-C4' energy: -28.915
flat angles P-C4'-P energy: -17.493
tors. eta vs tors. theta energy: -37.452
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: 175
Temperature: 1.050000
Total energy: -455.490452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.490452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.490452 (E_RNA)
where:
Base-Base interactions energy: -314.793
where: short stacking energy: -135.255
Base-Backbone interact. energy: -0.269
local terms energy: -140.428196
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -25.221
flat angles C4'-P-C4' energy: -34.057
flat angles P-C4'-P energy: -20.925
tors. eta vs tors. theta energy: -39.448
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: 3
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -444.263572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.263572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.263572 (E_RNA)
where:
Base-Base interactions energy: -293.094
where: short stacking energy: -135.784
Base-Backbone interact. energy: -0.272
local terms energy: -150.897774
where:
bonds (distance) C4'-P energy: -23.018
bonds (distance) P-C4' energy: -30.050
flat angles C4'-P-C4' energy: -31.889
flat angles P-C4'-P energy: -23.852
tors. eta vs tors. theta energy: -42.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -372.022557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.022557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.022557 (E_RNA)
where:
Base-Base interactions energy: -241.104
where: short stacking energy: -124.183
Base-Backbone interact. energy: -0.530
local terms energy: -130.389245
where:
bonds (distance) C4'-P energy: -28.333
bonds (distance) P-C4' energy: -24.723
flat angles C4'-P-C4' energy: -30.327
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -33.017
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: 175
Temperature: 1.200000
Total energy: -236.489731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.489731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.489731 (E_RNA)
where:
Base-Base interactions energy: -132.696
where: short stacking energy: -73.437
Base-Backbone interact. energy: -1.774
local terms energy: -102.018846
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -27.097
flat angles C4'-P-C4' energy: -20.267
flat angles P-C4'-P energy: -22.251
tors. eta vs tors. theta energy: -14.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -254.406197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.406197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.406197 (E_RNA)
where:
Base-Base interactions energy: -135.629
where: short stacking energy: -69.095
Base-Backbone interact. energy: -0.736
local terms energy: -118.041616
where:
bonds (distance) C4'-P energy: -25.983
bonds (distance) P-C4' energy: -24.850
flat angles C4'-P-C4' energy: -30.025
flat angles P-C4'-P energy: -23.312
tors. eta vs tors. theta energy: -13.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -184.729361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.729361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.729361 (E_RNA)
where:
Base-Base interactions energy: -100.907
where: short stacking energy: -45.094
Base-Backbone interact. energy: -1.501
local terms energy: -82.321309
where:
bonds (distance) C4'-P energy: -23.613
bonds (distance) P-C4' energy: -27.147
flat angles C4'-P-C4' energy: -24.399
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: 4.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -222.487686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.487686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.487686 (E_RNA)
where:
Base-Base interactions energy: -119.394
where: short stacking energy: -55.130
Base-Backbone interact. energy: -0.289
local terms energy: -102.804044
where:
bonds (distance) C4'-P energy: -26.139
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -29.536
flat angles P-C4'-P energy: -19.762
tors. eta vs tors. theta energy: -5.051
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: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -530.057531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.057531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.057531 (E_RNA)
where:
Base-Base interactions energy: -375.165
where: short stacking energy: -152.358
Base-Backbone interact. energy: -0.624
local terms energy: -154.267823
where:
bonds (distance) C4'-P energy: -26.180
bonds (distance) P-C4' energy: -25.597
flat angles C4'-P-C4' energy: -33.114
flat angles P-C4'-P energy: -24.339
tors. eta vs tors. theta energy: -45.037
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: 176
Temperature: 0.950000
Total energy: -484.415560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.415560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.415560 (E_RNA)
where:
Base-Base interactions energy: -337.977
where: short stacking energy: -144.459
Base-Backbone interact. energy: 2.201
local terms energy: -148.638828
where:
bonds (distance) C4'-P energy: -24.512
bonds (distance) P-C4' energy: -29.376
flat angles C4'-P-C4' energy: -27.961
flat angles P-C4'-P energy: -26.569
tors. eta vs tors. theta energy: -40.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -461.272937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.272937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.272937 (E_RNA)
where:
Base-Base interactions energy: -317.605
where: short stacking energy: -136.313
Base-Backbone interact. energy: 0.555
local terms energy: -144.222796
where:
bonds (distance) C4'-P energy: -25.831
bonds (distance) P-C4' energy: -27.506
flat angles C4'-P-C4' energy: -29.575
flat angles P-C4'-P energy: -25.672
tors. eta vs tors. theta energy: -35.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -437.367364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.367364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.367364 (E_RNA)
where:
Base-Base interactions energy: -303.624
where: short stacking energy: -127.466
Base-Backbone interact. energy: 0.504
local terms energy: -134.246931
where:
bonds (distance) C4'-P energy: -22.243
bonds (distance) P-C4' energy: -25.951
flat angles C4'-P-C4' energy: -29.743
flat angles P-C4'-P energy: -23.561
tors. eta vs tors. theta energy: -32.749
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: 3
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -422.879267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.879267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.879267 (E_RNA)
where:
Base-Base interactions energy: -277.847
where: short stacking energy: -125.127
Base-Backbone interact. energy: -0.149
local terms energy: -144.883199
where:
bonds (distance) C4'-P energy: -30.150
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -30.160
flat angles P-C4'-P energy: -23.171
tors. eta vs tors. theta energy: -39.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -392.792511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.792511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.792511 (E_RNA)
where:
Base-Base interactions energy: -266.957
where: short stacking energy: -111.877
Base-Backbone interact. energy: -0.150
local terms energy: -125.685593
where:
bonds (distance) C4'-P energy: -22.006
bonds (distance) P-C4' energy: -24.439
flat angles C4'-P-C4' energy: -25.286
flat angles P-C4'-P energy: -20.214
tors. eta vs tors. theta energy: -33.740
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: 2
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -290.210022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.210022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.210022 (E_RNA)
where:
Base-Base interactions energy: -187.892
where: short stacking energy: -92.151
Base-Backbone interact. energy: -0.080
local terms energy: -102.238162
where:
bonds (distance) C4'-P energy: -25.254
bonds (distance) P-C4' energy: -23.061
flat angles C4'-P-C4' energy: -26.368
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -14.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -250.677876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.677876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.677876 (E_RNA)
where:
Base-Base interactions energy: -138.963
where: short stacking energy: -61.191
Base-Backbone interact. energy: -1.677
local terms energy: -110.037781
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -30.218
flat angles C4'-P-C4' energy: -26.967
flat angles P-C4'-P energy: -21.287
tors. eta vs tors. theta energy: -14.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -195.237764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.237764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.237764 (E_RNA)
where:
Base-Base interactions energy: -105.049
where: short stacking energy: -61.237
Base-Backbone interact. energy: -0.312
local terms energy: -89.877162
where:
bonds (distance) C4'-P energy: -25.576
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -27.872
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -5.700
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: 4
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -195.718422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.718422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.718422 (E_RNA)
where:
Base-Base interactions energy: -111.236
where: short stacking energy: -49.097
Base-Backbone interact. energy: -0.653
local terms energy: -83.830101
where:
bonds (distance) C4'-P energy: -22.239
bonds (distance) P-C4' energy: -23.069
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -526.869126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.869126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.869126 (E_RNA)
where:
Base-Base interactions energy: -375.252
where: short stacking energy: -158.330
Base-Backbone interact. energy: -0.208
local terms energy: -151.409671
where:
bonds (distance) C4'-P energy: -21.651
bonds (distance) P-C4' energy: -23.466
flat angles C4'-P-C4' energy: -30.508
flat angles P-C4'-P energy: -26.340
tors. eta vs tors. theta energy: -49.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -494.058304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.058304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.058304 (E_RNA)
where:
Base-Base interactions energy: -345.452
where: short stacking energy: -153.184
Base-Backbone interact. energy: -0.103
local terms energy: -148.503401
where:
bonds (distance) C4'-P energy: -26.740
bonds (distance) P-C4' energy: -25.074
flat angles C4'-P-C4' energy: -32.249
flat angles P-C4'-P energy: -22.650
tors. eta vs tors. theta energy: -41.792
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: 6
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -480.717306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.717306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.717306 (E_RNA)
where:
Base-Base interactions energy: -329.094
where: short stacking energy: -144.234
Base-Backbone interact. energy: -0.030
local terms energy: -151.593339
where:
bonds (distance) C4'-P energy: -26.471
bonds (distance) P-C4' energy: -29.332
flat angles C4'-P-C4' energy: -32.195
flat angles P-C4'-P energy: -21.888
tors. eta vs tors. theta energy: -41.707
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: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -444.767273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.767273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.767273 (E_RNA)
where:
Base-Base interactions energy: -304.599
where: short stacking energy: -141.182
Base-Backbone interact. energy: -1.470
local terms energy: -138.698266
where:
bonds (distance) C4'-P energy: -25.329
bonds (distance) P-C4' energy: -25.575
flat angles C4'-P-C4' energy: -28.818
flat angles P-C4'-P energy: -15.793
tors. eta vs tors. theta energy: -43.183
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: 177
Temperature: 1.100000
Total energy: -453.435908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.435908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.435908 (E_RNA)
where:
Base-Base interactions energy: -311.984
where: short stacking energy: -138.017
Base-Backbone interact. energy: -0.134
local terms energy: -141.318090
where:
bonds (distance) C4'-P energy: -30.643
bonds (distance) P-C4' energy: -21.774
flat angles C4'-P-C4' energy: -29.914
flat angles P-C4'-P energy: -22.589
tors. eta vs tors. theta energy: -36.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -370.291601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.291601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.291601 (E_RNA)
where:
Base-Base interactions energy: -257.338
where: short stacking energy: -102.714
Base-Backbone interact. energy: -0.894
local terms energy: -112.060240
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -25.011
flat angles C4'-P-C4' energy: -24.321
flat angles P-C4'-P energy: -20.218
tors. eta vs tors. theta energy: -23.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -297.921661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.921661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.921661 (E_RNA)
where:
Base-Base interactions energy: -183.448
where: short stacking energy: -93.894
Base-Backbone interact. energy: -0.719
local terms energy: -113.754872
where:
bonds (distance) C4'-P energy: -18.619
bonds (distance) P-C4' energy: -23.756
flat angles C4'-P-C4' energy: -27.604
flat angles P-C4'-P energy: -17.342
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: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -227.096106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.096106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.096106 (E_RNA)
where:
Base-Base interactions energy: -117.825
where: short stacking energy: -79.490
Base-Backbone interact. energy: -0.741
local terms energy: -108.530437
where:
bonds (distance) C4'-P energy: -22.307
bonds (distance) P-C4' energy: -24.034
flat angles C4'-P-C4' energy: -26.615
flat angles P-C4'-P energy: -17.996
tors. eta vs tors. theta energy: -17.578
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: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -156.660988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.660988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.660988 (E_RNA)
where:
Base-Base interactions energy: -71.210
where: short stacking energy: -50.685
Base-Backbone interact. energy: -0.816
local terms energy: -84.634987
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -26.140
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: -7.524
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: 10, replica: 4
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -200.695538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.695538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.695538 (E_RNA)
where:
Base-Base interactions energy: -96.466
where: short stacking energy: -52.377
Base-Backbone interact. energy: 1.549
local terms energy: -105.777953
where:
bonds (distance) C4'-P energy: -31.583
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -21.729
flat angles P-C4'-P energy: -21.277
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: 1, replica: 5
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -519.089861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.089861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.089861 (E_RNA)
where:
Base-Base interactions energy: -360.782
where: short stacking energy: -152.312
Base-Backbone interact. energy: -0.461
local terms energy: -157.846998
where:
bonds (distance) C4'-P energy: -27.246
bonds (distance) P-C4' energy: -29.319
flat angles C4'-P-C4' energy: -29.148
flat angles P-C4'-P energy: -24.228
tors. eta vs tors. theta energy: -47.906
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: 9
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -477.851006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.851006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.851006 (E_RNA)
where:
Base-Base interactions energy: -324.850
where: short stacking energy: -144.105
Base-Backbone interact. energy: -0.441
local terms energy: -152.559149
where:
bonds (distance) C4'-P energy: -26.621
bonds (distance) P-C4' energy: -32.312
flat angles C4'-P-C4' energy: -32.695
flat angles P-C4'-P energy: -22.258
tors. eta vs tors. theta energy: -38.673
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: 6
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -471.781096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.781096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.781096 (E_RNA)
where:
Base-Base interactions energy: -328.727
where: short stacking energy: -141.463
Base-Backbone interact. energy: -0.090
local terms energy: -142.964235
where:
bonds (distance) C4'-P energy: -24.496
bonds (distance) P-C4' energy: -25.698
flat angles C4'-P-C4' energy: -30.091
flat angles P-C4'-P energy: -18.137
tors. eta vs tors. theta energy: -44.542
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: 4, replica: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -446.160935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.160935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.160935 (E_RNA)
where:
Base-Base interactions energy: -294.275
where: short stacking energy: -130.996
Base-Backbone interact. energy: -0.088
local terms energy: -151.798032
where:
bonds (distance) C4'-P energy: -26.081
bonds (distance) P-C4' energy: -30.072
flat angles C4'-P-C4' energy: -29.879
flat angles P-C4'-P energy: -21.980
tors. eta vs tors. theta energy: -43.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -420.128565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.128565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.128565 (E_RNA)
where:
Base-Base interactions energy: -286.757
where: short stacking energy: -126.861
Base-Backbone interact. energy: -0.120
local terms energy: -133.251640
where:
bonds (distance) C4'-P energy: -26.888
bonds (distance) P-C4' energy: -27.075
flat angles C4'-P-C4' energy: -30.348
flat angles P-C4'-P energy: -19.243
tors. eta vs tors. theta energy: -29.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -433.396689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.396689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.396689 (E_RNA)
where:
Base-Base interactions energy: -302.135
where: short stacking energy: -137.863
Base-Backbone interact. energy: -0.455
local terms energy: -130.806896
where:
bonds (distance) C4'-P energy: -19.627
bonds (distance) P-C4' energy: -29.285
flat angles C4'-P-C4' energy: -28.119
flat angles P-C4'-P energy: -18.173
tors. eta vs tors. theta energy: -35.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -245.237888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.237888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.237888 (E_RNA)
where:
Base-Base interactions energy: -137.309
where: short stacking energy: -68.415
Base-Backbone interact. energy: 1.088
local terms energy: -109.016520
where:
bonds (distance) C4'-P energy: -23.971
bonds (distance) P-C4' energy: -29.227
flat angles C4'-P-C4' energy: -25.117
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -17.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -299.018507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.018507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.018507 (E_RNA)
where:
Base-Base interactions energy: -177.804
where: short stacking energy: -89.993
Base-Backbone interact. energy: -0.250
local terms energy: -120.964502
where:
bonds (distance) C4'-P energy: -23.548
bonds (distance) P-C4' energy: -29.213
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -21.464
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: 9, replica: 4
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -211.542391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.542391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.542391 (E_RNA)
where:
Base-Base interactions energy: -127.909
where: short stacking energy: -69.090
Base-Backbone interact. energy: 3.478
local terms energy: -87.111228
where:
bonds (distance) C4'-P energy: -25.945
bonds (distance) P-C4' energy: -28.434
flat angles C4'-P-C4' energy: -11.001
flat angles P-C4'-P energy: -16.914
tors. eta vs tors. theta energy: -4.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -125.979115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.979115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.979115 (E_RNA)
where:
Base-Base interactions energy: -44.008
where: short stacking energy: -34.323
Base-Backbone interact. energy: 0.008
local terms energy: -81.978279
where:
bonds (distance) C4'-P energy: -27.676
bonds (distance) P-C4' energy: -27.497
flat angles C4'-P-C4' energy: -20.431
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: 3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -525.364417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.364417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.364417 (E_RNA)
where:
Base-Base interactions energy: -368.405
where: short stacking energy: -151.167
Base-Backbone interact. energy: -0.584
local terms energy: -156.375877
where:
bonds (distance) C4'-P energy: -25.737
bonds (distance) P-C4' energy: -26.166
flat angles C4'-P-C4' energy: -34.286
flat angles P-C4'-P energy: -22.658
tors. eta vs tors. theta energy: -47.529
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: 6
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -487.099201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.099201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.099201 (E_RNA)
where:
Base-Base interactions energy: -333.176
where: short stacking energy: -137.655
Base-Backbone interact. energy: 0.681
local terms energy: -154.604426
where:
bonds (distance) C4'-P energy: -27.173
bonds (distance) P-C4' energy: -32.402
flat angles C4'-P-C4' energy: -32.030
flat angles P-C4'-P energy: -24.851
tors. eta vs tors. theta energy: -38.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -489.580297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.580297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.580297 (E_RNA)
where:
Base-Base interactions energy: -351.777
where: short stacking energy: -144.573
Base-Backbone interact. energy: -0.342
local terms energy: -137.461206
where:
bonds (distance) C4'-P energy: -25.664
bonds (distance) P-C4' energy: -25.555
flat angles C4'-P-C4' energy: -28.404
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: -41.752
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: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -450.345709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.345709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.345709 (E_RNA)
where:
Base-Base interactions energy: -307.898
where: short stacking energy: -130.701
Base-Backbone interact. energy: -0.077
local terms energy: -142.371127
where:
bonds (distance) C4'-P energy: -25.639
bonds (distance) P-C4' energy: -23.801
flat angles C4'-P-C4' energy: -29.360
flat angles P-C4'-P energy: -22.510
tors. eta vs tors. theta energy: -41.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -409.352533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.352533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.352533 (E_RNA)
where:
Base-Base interactions energy: -276.396
where: short stacking energy: -126.708
Base-Backbone interact. energy: -0.974
local terms energy: -131.983231
where:
bonds (distance) C4'-P energy: -26.671
bonds (distance) P-C4' energy: -29.349
flat angles C4'-P-C4' energy: -23.807
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: -33.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -417.617753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.617753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.617753 (E_RNA)
where:
Base-Base interactions energy: -291.490
where: short stacking energy: -127.456
Base-Backbone interact. energy: -0.111
local terms energy: -126.016923
where:
bonds (distance) C4'-P energy: -24.269
bonds (distance) P-C4' energy: -30.299
flat angles C4'-P-C4' energy: -24.741
flat angles P-C4'-P energy: -15.211
tors. eta vs tors. theta energy: -31.497
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: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -241.349717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.349717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.349717 (E_RNA)
where:
Base-Base interactions energy: -140.852
where: short stacking energy: -61.652
Base-Backbone interact. energy: -0.988
local terms energy: -99.509979
where:
bonds (distance) C4'-P energy: -27.000
bonds (distance) P-C4' energy: -30.405
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -12.495
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: 2
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -288.073660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.073660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.073660 (E_RNA)
where:
Base-Base interactions energy: -174.055
where: short stacking energy: -79.073
Base-Backbone interact. energy: 0.344
local terms energy: -114.362822
where:
bonds (distance) C4'-P energy: -30.337
bonds (distance) P-C4' energy: -30.781
flat angles C4'-P-C4' energy: -32.726
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -14.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -218.964871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.964871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.964871 (E_RNA)
where:
Base-Base interactions energy: -134.998
where: short stacking energy: -72.329
Base-Backbone interact. energy: -0.247
local terms energy: -83.720024
where:
bonds (distance) C4'-P energy: -25.874
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -17.176
tors. eta vs tors. theta energy: -7.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -137.388007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.388007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.388007 (E_RNA)
where:
Base-Base interactions energy: -52.251
where: short stacking energy: -49.277
Base-Backbone interact. energy: -0.348
local terms energy: -84.788650
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -27.111
flat angles C4'-P-C4' energy: -22.809
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -9.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -529.652891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.652891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.652891 (E_RNA)
where:
Base-Base interactions energy: -371.876
where: short stacking energy: -161.945
Base-Backbone interact. energy: 0.180
local terms energy: -157.956921
where:
bonds (distance) C4'-P energy: -27.113
bonds (distance) P-C4' energy: -22.400
flat angles C4'-P-C4' energy: -34.793
flat angles P-C4'-P energy: -25.427
tors. eta vs tors. theta energy: -48.224
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: 6
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -487.052413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.052413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.052413 (E_RNA)
where:
Base-Base interactions energy: -330.222
where: short stacking energy: -138.255
Base-Backbone interact. energy: -0.859
local terms energy: -155.971883
where:
bonds (distance) C4'-P energy: -30.147
bonds (distance) P-C4' energy: -32.091
flat angles C4'-P-C4' energy: -31.313
flat angles P-C4'-P energy: -24.436
tors. eta vs tors. theta energy: -37.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -482.945180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.945180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.945180 (E_RNA)
where:
Base-Base interactions energy: -344.274
where: short stacking energy: -143.465
Base-Backbone interact. energy: -0.159
local terms energy: -138.512736
where:
bonds (distance) C4'-P energy: -25.930
bonds (distance) P-C4' energy: -25.911
flat angles C4'-P-C4' energy: -29.252
flat angles P-C4'-P energy: -17.631
tors. eta vs tors. theta energy: -39.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -439.962336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.962336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.962336 (E_RNA)
where:
Base-Base interactions energy: -300.130
where: short stacking energy: -128.969
Base-Backbone interact. energy: -0.298
local terms energy: -139.534004
where:
bonds (distance) C4'-P energy: -27.850
bonds (distance) P-C4' energy: -27.206
flat angles C4'-P-C4' energy: -33.340
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: -34.713
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: 10
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -422.329195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.329195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.329195 (E_RNA)
where:
Base-Base interactions energy: -300.920
where: short stacking energy: -113.847
Base-Backbone interact. energy: -0.156
local terms energy: -121.252663
where:
bonds (distance) C4'-P energy: -18.560
bonds (distance) P-C4' energy: -27.729
flat angles C4'-P-C4' energy: -26.632
flat angles P-C4'-P energy: -20.081
tors. eta vs tors. theta energy: -28.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -405.992090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.992090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.992090 (E_RNA)
where:
Base-Base interactions energy: -280.804
where: short stacking energy: -126.641
Base-Backbone interact. energy: -0.243
local terms energy: -124.945188
where:
bonds (distance) C4'-P energy: -18.428
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -30.204
flat angles P-C4'-P energy: -17.643
tors. eta vs tors. theta energy: -38.029
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: 2
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -305.258589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.258589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.258589 (E_RNA)
where:
Base-Base interactions energy: -199.702
where: short stacking energy: -94.387
Base-Backbone interact. energy: -0.521
local terms energy: -105.035662
where:
bonds (distance) C4'-P energy: -23.491
bonds (distance) P-C4' energy: -21.105
flat angles C4'-P-C4' energy: -22.339
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -23.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -217.829663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.829663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.829663 (E_RNA)
where:
Base-Base interactions energy: -123.641
where: short stacking energy: -68.611
Base-Backbone interact. energy: -0.040
local terms energy: -94.148383
where:
bonds (distance) C4'-P energy: -25.472
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -20.601
flat angles P-C4'-P energy: -20.186
tors. eta vs tors. theta energy: -9.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -206.673267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.673267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.673267 (E_RNA)
where:
Base-Base interactions energy: -107.467
where: short stacking energy: -55.344
Base-Backbone interact. energy: -1.406
local terms energy: -97.800541
where:
bonds (distance) C4'-P energy: -24.832
bonds (distance) P-C4' energy: -30.818
flat angles C4'-P-C4' energy: -22.865
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -7.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -134.573248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.573248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.573248 (E_RNA)
where:
Base-Base interactions energy: -59.004
where: short stacking energy: -51.083
Base-Backbone interact. energy: -0.578
local terms energy: -74.991317
where:
bonds (distance) C4'-P energy: -25.868
bonds (distance) P-C4' energy: -29.847
flat angles C4'-P-C4' energy: -9.468
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -0.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -530.012962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.012962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.012962 (E_RNA)
where:
Base-Base interactions energy: -370.722
where: short stacking energy: -160.456
Base-Backbone interact. energy: -1.658
local terms energy: -157.632969
where:
bonds (distance) C4'-P energy: -30.438
bonds (distance) P-C4' energy: -25.670
flat angles C4'-P-C4' energy: -34.835
flat angles P-C4'-P energy: -20.095
tors. eta vs tors. theta energy: -46.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -472.034224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.034224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.034224 (E_RNA)
where:
Base-Base interactions energy: -329.302
where: short stacking energy: -133.220
Base-Backbone interact. energy: -0.394
local terms energy: -142.337999
where:
bonds (distance) C4'-P energy: -29.762
bonds (distance) P-C4' energy: -27.104
flat angles C4'-P-C4' energy: -29.891
flat angles P-C4'-P energy: -21.585
tors. eta vs tors. theta energy: -33.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -462.617845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.617845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.617845 (E_RNA)
where:
Base-Base interactions energy: -329.991
where: short stacking energy: -143.087
Base-Backbone interact. energy: -0.054
local terms energy: -132.572332
where:
bonds (distance) C4'-P energy: -26.860
bonds (distance) P-C4' energy: -26.061
flat angles C4'-P-C4' energy: -24.750
flat angles P-C4'-P energy: -20.209
tors. eta vs tors. theta energy: -34.692
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: 10
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -444.633933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.633933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.633933 (E_RNA)
where:
Base-Base interactions energy: -298.150
where: short stacking energy: -120.801
Base-Backbone interact. energy: -0.363
local terms energy: -146.120802
where:
bonds (distance) C4'-P energy: -26.298
bonds (distance) P-C4' energy: -32.333
flat angles C4'-P-C4' energy: -28.608
flat angles P-C4'-P energy: -23.168
tors. eta vs tors. theta energy: -35.713
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: 3
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -431.550185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.550185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.550185 (E_RNA)
where:
Base-Base interactions energy: -303.081
where: short stacking energy: -123.066
Base-Backbone interact. energy: -0.672
local terms energy: -127.796253
where:
bonds (distance) C4'-P energy: -25.291
bonds (distance) P-C4' energy: -26.603
flat angles C4'-P-C4' energy: -24.138
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -39.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -382.260982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.260982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.260982 (E_RNA)
where:
Base-Base interactions energy: -264.069
where: short stacking energy: -109.491
Base-Backbone interact. energy: 0.563
local terms energy: -118.754223
where:
bonds (distance) C4'-P energy: -24.483
bonds (distance) P-C4' energy: -22.143
flat angles C4'-P-C4' energy: -30.361
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -29.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -309.439555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.439555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.439555 (E_RNA)
where:
Base-Base interactions energy: -206.577
where: short stacking energy: -100.295
Base-Backbone interact. energy: -0.549
local terms energy: -102.313699
where:
bonds (distance) C4'-P energy: -20.531
bonds (distance) P-C4' energy: -23.100
flat angles C4'-P-C4' energy: -27.905
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -20.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -244.255886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.255886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.255886 (E_RNA)
where:
Base-Base interactions energy: -138.227
where: short stacking energy: -87.064
Base-Backbone interact. energy: -0.031
local terms energy: -105.997885
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -30.079
flat angles C4'-P-C4' energy: -28.611
flat angles P-C4'-P energy: -15.298
tors. eta vs tors. theta energy: -16.397
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: 9, replica: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -217.132575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.132575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.132575 (E_RNA)
where:
Base-Base interactions energy: -125.498
where: short stacking energy: -52.707
Base-Backbone interact. energy: -0.529
local terms energy: -91.106345
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -28.506
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -16.517
tors. eta vs tors. theta energy: -5.656
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: 10, replica: 7
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -162.542164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.542164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.542164 (E_RNA)
where:
Base-Base interactions energy: -73.847
where: short stacking energy: -46.287
Base-Backbone interact. energy: -0.174
local terms energy: -88.521880
where:
bonds (distance) C4'-P energy: -24.735
bonds (distance) P-C4' energy: -27.137
flat angles C4'-P-C4' energy: -21.354
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -7.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -522.495394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.495394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.495394 (E_RNA)
where:
Base-Base interactions energy: -365.427
where: short stacking energy: -161.387
Base-Backbone interact. energy: -0.217
local terms energy: -156.851873
where:
bonds (distance) C4'-P energy: -26.865
bonds (distance) P-C4' energy: -30.047
flat angles C4'-P-C4' energy: -31.527
flat angles P-C4'-P energy: -21.285
tors. eta vs tors. theta energy: -47.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -488.769083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.769083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.769083 (E_RNA)
where:
Base-Base interactions energy: -349.942
where: short stacking energy: -140.674
Base-Backbone interact. energy: -0.157
local terms energy: -138.670452
where:
bonds (distance) C4'-P energy: -26.602
bonds (distance) P-C4' energy: -26.958
flat angles C4'-P-C4' energy: -24.637
flat angles P-C4'-P energy: -21.706
tors. eta vs tors. theta energy: -38.767
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: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -477.449137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.449137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.449137 (E_RNA)
where:
Base-Base interactions energy: -323.756
where: short stacking energy: -156.027
Base-Backbone interact. energy: -0.012
local terms energy: -153.681138
where:
bonds (distance) C4'-P energy: -26.386
bonds (distance) P-C4' energy: -28.838
flat angles C4'-P-C4' energy: -30.493
flat angles P-C4'-P energy: -22.015
tors. eta vs tors. theta energy: -45.948
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: 10
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -450.316689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.316689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.316689 (E_RNA)
where:
Base-Base interactions energy: -306.087
where: short stacking energy: -123.344
Base-Backbone interact. energy: -0.107
local terms energy: -144.122934
where:
bonds (distance) C4'-P energy: -28.836
bonds (distance) P-C4' energy: -29.313
flat angles C4'-P-C4' energy: -29.081
flat angles P-C4'-P energy: -21.564
tors. eta vs tors. theta energy: -35.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -434.045423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.045423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.045423 (E_RNA)
where:
Base-Base interactions energy: -295.227
where: short stacking energy: -122.603
Base-Backbone interact. energy: -1.280
local terms energy: -137.538336
where:
bonds (distance) C4'-P energy: -25.836
bonds (distance) P-C4' energy: -30.720
flat angles C4'-P-C4' energy: -30.483
flat angles P-C4'-P energy: -18.544
tors. eta vs tors. theta energy: -31.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -397.868827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.868827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.868827 (E_RNA)
where:
Base-Base interactions energy: -287.762
where: short stacking energy: -115.599
Base-Backbone interact. energy: -0.649
local terms energy: -109.457960
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -30.588
flat angles P-C4'-P energy: -18.686
tors. eta vs tors. theta energy: -27.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -319.399763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.399763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.399763 (E_RNA)
where:
Base-Base interactions energy: -202.902
where: short stacking energy: -87.500
Base-Backbone interact. energy: 0.006
local terms energy: -116.503797
where:
bonds (distance) C4'-P energy: -24.002
bonds (distance) P-C4' energy: -30.847
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -19.610
tors. eta vs tors. theta energy: -20.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -211.389937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.389937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.389937 (E_RNA)
where:
Base-Base interactions energy: -112.548
where: short stacking energy: -66.455
Base-Backbone interact. energy: -0.185
local terms energy: -98.657244
where:
bonds (distance) C4'-P energy: -24.768
bonds (distance) P-C4' energy: -29.219
flat angles C4'-P-C4' energy: -20.697
flat angles P-C4'-P energy: -14.779
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: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -259.240418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.240418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.240418 (E_RNA)
where:
Base-Base interactions energy: -152.929
where: short stacking energy: -73.943
Base-Backbone interact. energy: 0.097
local terms energy: -106.408122
where:
bonds (distance) C4'-P energy: -21.562
bonds (distance) P-C4' energy: -23.569
flat angles C4'-P-C4' energy: -29.472
flat angles P-C4'-P energy: -16.137
tors. eta vs tors. theta energy: -15.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -132.697076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.697076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.697076 (E_RNA)
where:
Base-Base interactions energy: -50.711
where: short stacking energy: -49.338
Base-Backbone interact. energy: -0.345
local terms energy: -81.640778
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -21.810
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -0.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -527.231824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.231824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.231824 (E_RNA)
where:
Base-Base interactions energy: -372.786
where: short stacking energy: -152.174
Base-Backbone interact. energy: -0.259
local terms energy: -154.186427
where:
bonds (distance) C4'-P energy: -27.303
bonds (distance) P-C4' energy: -24.656
flat angles C4'-P-C4' energy: -32.308
flat angles P-C4'-P energy: -25.285
tors. eta vs tors. theta energy: -44.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -499.128904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.128904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.128904 (E_RNA)
where:
Base-Base interactions energy: -345.956
where: short stacking energy: -144.123
Base-Backbone interact. energy: -0.278
local terms energy: -152.895531
where:
bonds (distance) C4'-P energy: -29.956
bonds (distance) P-C4' energy: -30.106
flat angles C4'-P-C4' energy: -28.675
flat angles P-C4'-P energy: -24.989
tors. eta vs tors. theta energy: -39.170
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: 6
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -467.326952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.326952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.326952 (E_RNA)
where:
Base-Base interactions energy: -314.046
where: short stacking energy: -140.282
Base-Backbone interact. energy: -0.172
local terms energy: -153.109233
where:
bonds (distance) C4'-P energy: -25.752
bonds (distance) P-C4' energy: -27.623
flat angles C4'-P-C4' energy: -33.829
flat angles P-C4'-P energy: -24.674
tors. eta vs tors. theta energy: -41.232
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: 183
Temperature: 1.050000
Total energy: -478.971264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.971264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.971264 (E_RNA)
where:
Base-Base interactions energy: -340.328
where: short stacking energy: -137.455
Base-Backbone interact. energy: -0.988
local terms energy: -137.655329
where:
bonds (distance) C4'-P energy: -25.349
bonds (distance) P-C4' energy: -24.990
flat angles C4'-P-C4' energy: -28.062
flat angles P-C4'-P energy: -17.449
tors. eta vs tors. theta energy: -41.806
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: 3
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -450.524735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.524735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.524735 (E_RNA)
where:
Base-Base interactions energy: -309.452
where: short stacking energy: -140.722
Base-Backbone interact. energy: -0.283
local terms energy: -140.790422
where:
bonds (distance) C4'-P energy: -19.933
bonds (distance) P-C4' energy: -26.498
flat angles C4'-P-C4' energy: -31.856
flat angles P-C4'-P energy: -21.539
tors. eta vs tors. theta energy: -40.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -396.193506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.193506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.193506 (E_RNA)
where:
Base-Base interactions energy: -269.344
where: short stacking energy: -123.110
Base-Backbone interact. energy: -0.062
local terms energy: -126.787473
where:
bonds (distance) C4'-P energy: -26.295
bonds (distance) P-C4' energy: -27.206
flat angles C4'-P-C4' energy: -25.997
flat angles P-C4'-P energy: -17.914
tors. eta vs tors. theta energy: -29.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -274.158766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.158766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.158766 (E_RNA)
where:
Base-Base interactions energy: -169.054
where: short stacking energy: -74.525
Base-Backbone interact. energy: 0.209
local terms energy: -105.313900
where:
bonds (distance) C4'-P energy: -25.238
bonds (distance) P-C4' energy: -28.333
flat angles C4'-P-C4' energy: -28.826
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -14.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -274.215722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.215722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.215722 (E_RNA)
where:
Base-Base interactions energy: -165.693
where: short stacking energy: -85.087
Base-Backbone interact. energy: 0.436
local terms energy: -108.958498
where:
bonds (distance) C4'-P energy: -22.462
bonds (distance) P-C4' energy: -28.027
flat angles C4'-P-C4' energy: -29.784
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -16.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -217.033471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.033471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.033471 (E_RNA)
where:
Base-Base interactions energy: -125.965
where: short stacking energy: -72.356
Base-Backbone interact. energy: -0.838
local terms energy: -90.230089
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -23.445
flat angles C4'-P-C4' energy: -24.376
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: -11.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -135.153209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.153209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.153209 (E_RNA)
where:
Base-Base interactions energy: -49.986
where: short stacking energy: -47.276
Base-Backbone interact. energy: -1.330
local terms energy: -83.836852
where:
bonds (distance) C4'-P energy: -23.855
bonds (distance) P-C4' energy: -21.382
flat angles C4'-P-C4' energy: -23.458
flat angles P-C4'-P energy: -17.071
tors. eta vs tors. theta energy: 1.930
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: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -535.345419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.345419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.345419 (E_RNA)
where:
Base-Base interactions energy: -377.445
where: short stacking energy: -150.158
Base-Backbone interact. energy: -0.457
local terms energy: -157.443285
where:
bonds (distance) C4'-P energy: -27.335
bonds (distance) P-C4' energy: -32.587
flat angles C4'-P-C4' energy: -31.735
flat angles P-C4'-P energy: -21.375
tors. eta vs tors. theta energy: -44.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -490.126672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.126672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.126672 (E_RNA)
where:
Base-Base interactions energy: -346.701
where: short stacking energy: -143.989
Base-Backbone interact. energy: -0.014
local terms energy: -143.411448
where:
bonds (distance) C4'-P energy: -23.771
bonds (distance) P-C4' energy: -27.633
flat angles C4'-P-C4' energy: -29.527
flat angles P-C4'-P energy: -22.572
tors. eta vs tors. theta energy: -39.910
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: 10
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -472.772176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.772176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.772176 (E_RNA)
where:
Base-Base interactions energy: -325.047
where: short stacking energy: -128.181
Base-Backbone interact. energy: -0.688
local terms energy: -147.037565
where:
bonds (distance) C4'-P energy: -29.768
bonds (distance) P-C4' energy: -26.753
flat angles C4'-P-C4' energy: -34.208
flat angles P-C4'-P energy: -20.701
tors. eta vs tors. theta energy: -35.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -445.790950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.790950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.790950 (E_RNA)
where:
Base-Base interactions energy: -314.659
where: short stacking energy: -138.322
Base-Backbone interact. energy: -0.165
local terms energy: -130.966420
where:
bonds (distance) C4'-P energy: -28.354
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -27.637
flat angles P-C4'-P energy: -19.559
tors. eta vs tors. theta energy: -38.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -444.204312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.204312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.204312 (E_RNA)
where:
Base-Base interactions energy: -304.155
where: short stacking energy: -133.079
Base-Backbone interact. energy: -3.087
local terms energy: -136.962078
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -31.400
flat angles P-C4'-P energy: -20.947
tors. eta vs tors. theta energy: -39.389
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: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -409.545934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.545934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.545934 (E_RNA)
where:
Base-Base interactions energy: -276.964
where: short stacking energy: -121.079
Base-Backbone interact. energy: -0.111
local terms energy: -132.470704
where:
bonds (distance) C4'-P energy: -22.935
bonds (distance) P-C4' energy: -26.474
flat angles C4'-P-C4' energy: -32.519
flat angles P-C4'-P energy: -16.684
tors. eta vs tors. theta energy: -33.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -342.007751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.007751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.007751 (E_RNA)
where:
Base-Base interactions energy: -211.019
where: short stacking energy: -90.341
Base-Backbone interact. energy: -0.236
local terms energy: -130.752239
where:
bonds (distance) C4'-P energy: -30.023
bonds (distance) P-C4' energy: -28.573
flat angles C4'-P-C4' energy: -29.206
flat angles P-C4'-P energy: -20.786
tors. eta vs tors. theta energy: -22.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -231.058684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.058684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.058684 (E_RNA)
where:
Base-Base interactions energy: -123.976
where: short stacking energy: -62.231
Base-Backbone interact. energy: -0.121
local terms energy: -106.961395
where:
bonds (distance) C4'-P energy: -27.908
bonds (distance) P-C4' energy: -30.306
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -18.125
tors. eta vs tors. theta energy: -12.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -229.133051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.133051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.133051 (E_RNA)
where:
Base-Base interactions energy: -123.243
where: short stacking energy: -64.218
Base-Backbone interact. energy: -0.646
local terms energy: -105.244195
where:
bonds (distance) C4'-P energy: -23.358
bonds (distance) P-C4' energy: -30.205
flat angles C4'-P-C4' energy: -23.755
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -16.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -131.478123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.478123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.478123 (E_RNA)
where:
Base-Base interactions energy: -45.118
where: short stacking energy: -40.789
Base-Backbone interact. energy: -0.746
local terms energy: -85.614190
where:
bonds (distance) C4'-P energy: -22.952
bonds (distance) P-C4' energy: -23.469
flat angles C4'-P-C4' energy: -20.002
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -4.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -527.470795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.470795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.470795 (E_RNA)
where:
Base-Base interactions energy: -377.529
where: short stacking energy: -143.164
Base-Backbone interact. energy: -0.391
local terms energy: -149.550975
where:
bonds (distance) C4'-P energy: -27.631
bonds (distance) P-C4' energy: -26.084
flat angles C4'-P-C4' energy: -31.736
flat angles P-C4'-P energy: -19.535
tors. eta vs tors. theta energy: -44.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -484.113813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.113813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.113813 (E_RNA)
where:
Base-Base interactions energy: -332.720
where: short stacking energy: -135.784
Base-Backbone interact. energy: -0.685
local terms energy: -150.708146
where:
bonds (distance) C4'-P energy: -28.980
bonds (distance) P-C4' energy: -27.468
flat angles C4'-P-C4' energy: -33.275
flat angles P-C4'-P energy: -22.987
tors. eta vs tors. theta energy: -37.998
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: 10
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -463.911986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.911986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.911986 (E_RNA)
where:
Base-Base interactions energy: -330.568
where: short stacking energy: -133.371
Base-Backbone interact. energy: 3.420
local terms energy: -136.764195
where:
bonds (distance) C4'-P energy: -25.521
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -29.836
flat angles P-C4'-P energy: -20.524
tors. eta vs tors. theta energy: -39.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -467.384752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.384752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.384752 (E_RNA)
where:
Base-Base interactions energy: -324.695
where: short stacking energy: -153.105
Base-Backbone interact. energy: -0.112
local terms energy: -142.577476
where:
bonds (distance) C4'-P energy: -23.990
bonds (distance) P-C4' energy: -25.924
flat angles C4'-P-C4' energy: -25.924
flat angles P-C4'-P energy: -19.693
tors. eta vs tors. theta energy: -47.047
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: 6
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -448.592962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.592962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.592962 (E_RNA)
where:
Base-Base interactions energy: -314.574
where: short stacking energy: -134.147
Base-Backbone interact. energy: -0.072
local terms energy: -133.946632
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -21.828
flat angles C4'-P-C4' energy: -32.495
flat angles P-C4'-P energy: -20.291
tors. eta vs tors. theta energy: -38.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -353.081594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.081594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.081594 (E_RNA)
where:
Base-Base interactions energy: -232.803
where: short stacking energy: -103.710
Base-Backbone interact. energy: -0.614
local terms energy: -119.664654
where:
bonds (distance) C4'-P energy: -24.519
bonds (distance) P-C4' energy: -24.667
flat angles C4'-P-C4' energy: -28.227
flat angles P-C4'-P energy: -13.649
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: 7, replica: 1
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -380.229045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.229045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.229045 (E_RNA)
where:
Base-Base interactions energy: -255.855
where: short stacking energy: -112.999
Base-Backbone interact. energy: -1.859
local terms energy: -122.515278
where:
bonds (distance) C4'-P energy: -25.264
bonds (distance) P-C4' energy: -21.623
flat angles C4'-P-C4' energy: -30.077
flat angles P-C4'-P energy: -16.393
tors. eta vs tors. theta energy: -29.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -239.652744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.652744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.652744 (E_RNA)
where:
Base-Base interactions energy: -142.466
where: short stacking energy: -68.167
Base-Backbone interact. energy: -1.786
local terms energy: -95.400406
where:
bonds (distance) C4'-P energy: -26.720
bonds (distance) P-C4' energy: -28.908
flat angles C4'-P-C4' energy: -23.983
flat angles P-C4'-P energy: -13.839
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: 8
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -231.400895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.400895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.400895 (E_RNA)
where:
Base-Base interactions energy: -136.206
where: short stacking energy: -80.341
Base-Backbone interact. energy: -0.588
local terms energy: -94.607708
where:
bonds (distance) C4'-P energy: -19.614
bonds (distance) P-C4' energy: -24.947
flat angles C4'-P-C4' energy: -23.112
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -15.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -138.836039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.836039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.836039 (E_RNA)
where:
Base-Base interactions energy: -50.553
where: short stacking energy: -50.553
Base-Backbone interact. energy: -0.807
local terms energy: -87.475887
where:
bonds (distance) C4'-P energy: -24.264
bonds (distance) P-C4' energy: -24.070
flat angles C4'-P-C4' energy: -20.173
flat angles P-C4'-P energy: -15.638
tors. eta vs tors. theta energy: -3.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -522.000230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.000230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.000230 (E_RNA)
where:
Base-Base interactions energy: -376.652
where: short stacking energy: -151.419
Base-Backbone interact. energy: -0.778
local terms energy: -144.570016
where:
bonds (distance) C4'-P energy: -25.738
bonds (distance) P-C4' energy: -25.973
flat angles C4'-P-C4' energy: -31.182
flat angles P-C4'-P energy: -18.636
tors. eta vs tors. theta energy: -43.041
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: 9
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -490.548211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.548211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.548211 (E_RNA)
where:
Base-Base interactions energy: -340.311
where: short stacking energy: -150.051
Base-Backbone interact. energy: -0.173
local terms energy: -150.063652
where:
bonds (distance) C4'-P energy: -25.771
bonds (distance) P-C4' energy: -26.007
flat angles C4'-P-C4' energy: -29.676
flat angles P-C4'-P energy: -20.263
tors. eta vs tors. theta energy: -48.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -456.737369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.737369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.737369 (E_RNA)
where:
Base-Base interactions energy: -301.854
where: short stacking energy: -143.880
Base-Backbone interact. energy: -0.232
local terms energy: -154.650980
where:
bonds (distance) C4'-P energy: -27.912
bonds (distance) P-C4' energy: -29.360
flat angles C4'-P-C4' energy: -30.260
flat angles P-C4'-P energy: -24.259
tors. eta vs tors. theta energy: -42.859
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: 10
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -437.081942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.081942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.081942 (E_RNA)
where:
Base-Base interactions energy: -304.766
where: short stacking energy: -128.713
Base-Backbone interact. energy: -0.613
local terms energy: -131.702147
where:
bonds (distance) C4'-P energy: -22.336
bonds (distance) P-C4' energy: -24.659
flat angles C4'-P-C4' energy: -29.119
flat angles P-C4'-P energy: -18.550
tors. eta vs tors. theta energy: -37.039
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: 5, replica: 6
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -463.727109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.727109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.727109 (E_RNA)
where:
Base-Base interactions energy: -319.618
where: short stacking energy: -134.661
Base-Backbone interact. energy: -1.212
local terms energy: -142.896861
where:
bonds (distance) C4'-P energy: -23.736
bonds (distance) P-C4' energy: -27.965
flat angles C4'-P-C4' energy: -31.579
flat angles P-C4'-P energy: -21.162
tors. eta vs tors. theta energy: -38.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -367.759896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.759896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.759896 (E_RNA)
where:
Base-Base interactions energy: -236.723
where: short stacking energy: -105.272
Base-Backbone interact. energy: -0.061
local terms energy: -130.975906
where:
bonds (distance) C4'-P energy: -30.014
bonds (distance) P-C4' energy: -28.495
flat angles C4'-P-C4' energy: -27.400
flat angles P-C4'-P energy: -16.896
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: 7, replica: 1
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -383.929906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.929906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.929906 (E_RNA)
where:
Base-Base interactions energy: -255.039
where: short stacking energy: -111.305
Base-Backbone interact. energy: -0.446
local terms energy: -128.444115
where:
bonds (distance) C4'-P energy: -25.833
bonds (distance) P-C4' energy: -29.699
flat angles C4'-P-C4' energy: -26.190
flat angles P-C4'-P energy: -19.437
tors. eta vs tors. theta energy: -27.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -217.317875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.317875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.317875 (E_RNA)
where:
Base-Base interactions energy: -124.141
where: short stacking energy: -72.606
Base-Backbone interact. energy: -0.812
local terms energy: -92.365578
where:
bonds (distance) C4'-P energy: -22.981
bonds (distance) P-C4' energy: -24.254
flat angles C4'-P-C4' energy: -23.546
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -6.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -217.755865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.755865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.755865 (E_RNA)
where:
Base-Base interactions energy: -120.545
where: short stacking energy: -65.205
Base-Backbone interact. energy: -0.355
local terms energy: -96.856117
where:
bonds (distance) C4'-P energy: -26.081
bonds (distance) P-C4' energy: -22.410
flat angles C4'-P-C4' energy: -26.927
flat angles P-C4'-P energy: -15.254
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: 10, replica: 7
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -133.774218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.774218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.774218 (E_RNA)
where:
Base-Base interactions energy: -52.356
where: short stacking energy: -38.227
Base-Backbone interact. energy: -1.257
local terms energy: -80.161811
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -26.172
flat angles C4'-P-C4' energy: -24.032
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: -2.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -541.814301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.814301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.814301 (E_RNA)
where:
Base-Base interactions energy: -375.137
where: short stacking energy: -150.818
Base-Backbone interact. energy: -0.123
local terms energy: -166.554899
where:
bonds (distance) C4'-P energy: -31.951
bonds (distance) P-C4' energy: -27.940
flat angles C4'-P-C4' energy: -32.561
flat angles P-C4'-P energy: -24.442
tors. eta vs tors. theta energy: -49.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -487.465404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.465404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.465404 (E_RNA)
where:
Base-Base interactions energy: -330.205
where: short stacking energy: -142.188
Base-Backbone interact. energy: -0.025
local terms energy: -157.235159
where:
bonds (distance) C4'-P energy: -31.418
bonds (distance) P-C4' energy: -30.925
flat angles C4'-P-C4' energy: -27.205
flat angles P-C4'-P energy: -23.876
tors. eta vs tors. theta energy: -43.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -457.788855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.788855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.788855 (E_RNA)
where:
Base-Base interactions energy: -309.970
where: short stacking energy: -145.793
Base-Backbone interact. energy: -0.817
local terms energy: -147.002013
where:
bonds (distance) C4'-P energy: -27.180
bonds (distance) P-C4' energy: -30.736
flat angles C4'-P-C4' energy: -31.572
flat angles P-C4'-P energy: -15.567
tors. eta vs tors. theta energy: -41.946
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: 6
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -476.104831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.104831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.104831 (E_RNA)
where:
Base-Base interactions energy: -327.747
where: short stacking energy: -146.749
Base-Backbone interact. energy: -1.079
local terms energy: -147.279515
where:
bonds (distance) C4'-P energy: -22.935
bonds (distance) P-C4' energy: -27.215
flat angles C4'-P-C4' energy: -30.925
flat angles P-C4'-P energy: -22.455
tors. eta vs tors. theta energy: -43.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -457.022845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.022845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.022845 (E_RNA)
where:
Base-Base interactions energy: -322.654
where: short stacking energy: -123.478
Base-Backbone interact. energy: 0.165
local terms energy: -134.533880
where:
bonds (distance) C4'-P energy: -24.368
bonds (distance) P-C4' energy: -27.279
flat angles C4'-P-C4' energy: -28.361
flat angles P-C4'-P energy: -20.923
tors. eta vs tors. theta energy: -33.602
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: 1
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -395.403163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.403163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.403163 (E_RNA)
where:
Base-Base interactions energy: -269.168
where: short stacking energy: -110.609
Base-Backbone interact. energy: -0.318
local terms energy: -125.917271
where:
bonds (distance) C4'-P energy: -23.444
bonds (distance) P-C4' energy: -26.667
flat angles C4'-P-C4' energy: -29.056
flat angles P-C4'-P energy: -21.743
tors. eta vs tors. theta energy: -25.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -334.337132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.337132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.337132 (E_RNA)
where:
Base-Base interactions energy: -214.045
where: short stacking energy: -96.707
Base-Backbone interact. energy: -0.650
local terms energy: -119.642074
where:
bonds (distance) C4'-P energy: -25.010
bonds (distance) P-C4' energy: -25.162
flat angles C4'-P-C4' energy: -30.562
flat angles P-C4'-P energy: -16.903
tors. eta vs tors. theta energy: -22.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -230.656856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.656856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.656856 (E_RNA)
where:
Base-Base interactions energy: -133.949
where: short stacking energy: -64.691
Base-Backbone interact. energy: -0.245
local terms energy: -96.463331
where:
bonds (distance) C4'-P energy: -18.237
bonds (distance) P-C4' energy: -28.373
flat angles C4'-P-C4' energy: -24.434
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -13.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -193.052667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.052667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.052667 (E_RNA)
where:
Base-Base interactions energy: -106.998
where: short stacking energy: -56.769
Base-Backbone interact. energy: -0.364
local terms energy: -85.690494
where:
bonds (distance) C4'-P energy: -26.964
bonds (distance) P-C4' energy: -22.953
flat angles C4'-P-C4' energy: -20.488
flat angles P-C4'-P energy: -6.066
tors. eta vs tors. theta energy: -9.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -149.196820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.196820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.196820 (E_RNA)
where:
Base-Base interactions energy: -61.135
where: short stacking energy: -57.740
Base-Backbone interact. energy: -0.294
local terms energy: -87.767711
where:
bonds (distance) C4'-P energy: -25.002
bonds (distance) P-C4' energy: -23.839
flat angles C4'-P-C4' energy: -26.539
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -2.728
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: 188
Temperature: 0.900000
Total energy: -530.423271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.423271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.423271 (E_RNA)
where:
Base-Base interactions energy: -377.682
where: short stacking energy: -155.098
Base-Backbone interact. energy: -0.214
local terms energy: -152.527050
where:
bonds (distance) C4'-P energy: -25.300
bonds (distance) P-C4' energy: -29.229
flat angles C4'-P-C4' energy: -30.528
flat angles P-C4'-P energy: -17.458
tors. eta vs tors. theta energy: -50.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -483.163985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.163985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.163985 (E_RNA)
where:
Base-Base interactions energy: -324.463
where: short stacking energy: -150.370
Base-Backbone interact. energy: -0.421
local terms energy: -158.280047
where:
bonds (distance) C4'-P energy: -27.080
bonds (distance) P-C4' energy: -28.870
flat angles C4'-P-C4' energy: -35.847
flat angles P-C4'-P energy: -22.612
tors. eta vs tors. theta energy: -43.872
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: 188
Temperature: 1.000000
Total energy: -467.025139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.025139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.025139 (E_RNA)
where:
Base-Base interactions energy: -318.777
where: short stacking energy: -146.414
Base-Backbone interact. energy: -0.024
local terms energy: -148.224690
where:
bonds (distance) C4'-P energy: -23.690
bonds (distance) P-C4' energy: -25.401
flat angles C4'-P-C4' energy: -32.262
flat angles P-C4'-P energy: -21.481
tors. eta vs tors. theta energy: -45.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -461.153001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.153001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.153001 (E_RNA)
where:
Base-Base interactions energy: -309.733
where: short stacking energy: -144.764
Base-Backbone interact. energy: -0.074
local terms energy: -151.345927
where:
bonds (distance) C4'-P energy: -30.368
bonds (distance) P-C4' energy: -28.549
flat angles C4'-P-C4' energy: -32.701
flat angles P-C4'-P energy: -18.080
tors. eta vs tors. theta energy: -41.648
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: 1
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -438.649562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.649562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.649562 (E_RNA)
where:
Base-Base interactions energy: -301.241
where: short stacking energy: -135.151
Base-Backbone interact. energy: -0.093
local terms energy: -137.315462
where:
bonds (distance) C4'-P energy: -24.247
bonds (distance) P-C4' energy: -26.242
flat angles C4'-P-C4' energy: -27.785
flat angles P-C4'-P energy: -24.531
tors. eta vs tors. theta energy: -34.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -451.110418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.110418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.110418 (E_RNA)
where:
Base-Base interactions energy: -314.839
where: short stacking energy: -121.881
Base-Backbone interact. energy: -0.152
local terms energy: -136.118818
where:
bonds (distance) C4'-P energy: -26.810
bonds (distance) P-C4' energy: -21.494
flat angles C4'-P-C4' energy: -25.478
flat angles P-C4'-P energy: -23.895
tors. eta vs tors. theta energy: -38.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -303.480787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.480787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.480787 (E_RNA)
where:
Base-Base interactions energy: -201.697
where: short stacking energy: -90.850
Base-Backbone interact. energy: -0.357
local terms energy: -101.426936
where:
bonds (distance) C4'-P energy: -23.763
bonds (distance) P-C4' energy: -26.635
flat angles C4'-P-C4' energy: -22.368
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -16.046
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: 8, replica: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -239.881659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.881659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.881659 (E_RNA)
where:
Base-Base interactions energy: -140.750
where: short stacking energy: -85.364
Base-Backbone interact. energy: -0.917
local terms energy: -98.214865
where:
bonds (distance) C4'-P energy: -21.205
bonds (distance) P-C4' energy: -19.171
flat angles C4'-P-C4' energy: -25.105
flat angles P-C4'-P energy: -18.660
tors. eta vs tors. theta energy: -14.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -225.424357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.424357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.424357 (E_RNA)
where:
Base-Base interactions energy: -133.437
where: short stacking energy: -59.134
Base-Backbone interact. energy: 0.313
local terms energy: -92.301057
where:
bonds (distance) C4'-P energy: -28.138
bonds (distance) P-C4' energy: -28.555
flat angles C4'-P-C4' energy: -20.416
flat angles P-C4'-P energy: -4.531
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: 10, replica: 7
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -148.671944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.671944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.671944 (E_RNA)
where:
Base-Base interactions energy: -65.408
where: short stacking energy: -51.557
Base-Backbone interact. energy: -0.447
local terms energy: -82.816953
where:
bonds (distance) C4'-P energy: -29.365
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: 1.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -530.358091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.358091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.358091 (E_RNA)
where:
Base-Base interactions energy: -368.573
where: short stacking energy: -155.544
Base-Backbone interact. energy: -0.587
local terms energy: -161.198035
where:
bonds (distance) C4'-P energy: -24.276
bonds (distance) P-C4' energy: -31.225
flat angles C4'-P-C4' energy: -32.275
flat angles P-C4'-P energy: -25.144
tors. eta vs tors. theta energy: -48.277
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: 2, replica: 9
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -481.496849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.496849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.496849 (E_RNA)
where:
Base-Base interactions energy: -341.180
where: short stacking energy: -149.781
Base-Backbone interact. energy: -0.004
local terms energy: -140.313396
where:
bonds (distance) C4'-P energy: -25.812
bonds (distance) P-C4' energy: -24.439
flat angles C4'-P-C4' energy: -33.476
flat angles P-C4'-P energy: -18.729
tors. eta vs tors. theta energy: -37.857
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: 3
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -478.720918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.720918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.720918 (E_RNA)
where:
Base-Base interactions energy: -328.092
where: short stacking energy: -138.352
Base-Backbone interact. energy: -0.229
local terms energy: -150.399819
where:
bonds (distance) C4'-P energy: -27.936
bonds (distance) P-C4' energy: -27.480
flat angles C4'-P-C4' energy: -34.492
flat angles P-C4'-P energy: -19.941
tors. eta vs tors. theta energy: -40.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -463.988547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.988547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.988547 (E_RNA)
where:
Base-Base interactions energy: -320.307
where: short stacking energy: -147.057
Base-Backbone interact. energy: -0.169
local terms energy: -143.512765
where:
bonds (distance) C4'-P energy: -20.435
bonds (distance) P-C4' energy: -29.045
flat angles C4'-P-C4' energy: -28.613
flat angles P-C4'-P energy: -18.816
tors. eta vs tors. theta energy: -46.604
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: 1
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -443.349806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.349806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.349806 (E_RNA)
where:
Base-Base interactions energy: -313.914
where: short stacking energy: -129.056
Base-Backbone interact. energy: 5.343
local terms energy: -134.779063
where:
bonds (distance) C4'-P energy: -28.478
bonds (distance) P-C4' energy: -30.428
flat angles C4'-P-C4' energy: -24.166
flat angles P-C4'-P energy: -13.810
tors. eta vs tors. theta energy: -37.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -431.209193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.209193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.209193 (E_RNA)
where:
Base-Base interactions energy: -298.133
where: short stacking energy: -132.662
Base-Backbone interact. energy: -1.077
local terms energy: -132.000090
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -25.579
flat angles C4'-P-C4' energy: -30.657
flat angles P-C4'-P energy: -19.022
tors. eta vs tors. theta energy: -37.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -304.501565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.501565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.501565 (E_RNA)
where:
Base-Base interactions energy: -198.243
where: short stacking energy: -98.103
Base-Backbone interact. energy: 0.007
local terms energy: -106.265710
where:
bonds (distance) C4'-P energy: -22.446
bonds (distance) P-C4' energy: -26.375
flat angles C4'-P-C4' energy: -23.172
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -22.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -242.099604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.099604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.099604 (E_RNA)
where:
Base-Base interactions energy: -131.031
where: short stacking energy: -77.875
Base-Backbone interact. energy: -0.120
local terms energy: -110.949481
where:
bonds (distance) C4'-P energy: -28.747
bonds (distance) P-C4' energy: -24.743
flat angles C4'-P-C4' energy: -23.328
flat angles P-C4'-P energy: -16.708
tors. eta vs tors. theta energy: -17.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -227.147726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.147726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.147726 (E_RNA)
where:
Base-Base interactions energy: -133.294
where: short stacking energy: -74.323
Base-Backbone interact. energy: 0.728
local terms energy: -94.581743
where:
bonds (distance) C4'-P energy: -27.018
bonds (distance) P-C4' energy: -23.768
flat angles C4'-P-C4' energy: -22.797
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -11.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -139.423458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.423458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.423458 (E_RNA)
where:
Base-Base interactions energy: -51.556
where: short stacking energy: -51.345
Base-Backbone interact. energy: 0.074
local terms energy: -87.941592
where:
bonds (distance) C4'-P energy: -27.067
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -27.271
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -8.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -528.355854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.355854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.355854 (E_RNA)
where:
Base-Base interactions energy: -365.068
where: short stacking energy: -153.959
Base-Backbone interact. energy: -0.662
local terms energy: -162.625937
where:
bonds (distance) C4'-P energy: -27.514
bonds (distance) P-C4' energy: -30.515
flat angles C4'-P-C4' energy: -34.078
flat angles P-C4'-P energy: -23.380
tors. eta vs tors. theta energy: -47.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -481.470528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.470528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.470528 (E_RNA)
where:
Base-Base interactions energy: -337.166
where: short stacking energy: -149.784
Base-Backbone interact. energy: -0.627
local terms energy: -143.676826
where:
bonds (distance) C4'-P energy: -22.804
bonds (distance) P-C4' energy: -22.235
flat angles C4'-P-C4' energy: -31.526
flat angles P-C4'-P energy: -25.077
tors. eta vs tors. theta energy: -42.036
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: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -477.959289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.959289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.959289 (E_RNA)
where:
Base-Base interactions energy: -327.270
where: short stacking energy: -144.017
Base-Backbone interact. energy: -0.231
local terms energy: -150.458079
where:
bonds (distance) C4'-P energy: -25.373
bonds (distance) P-C4' energy: -31.533
flat angles C4'-P-C4' energy: -32.076
flat angles P-C4'-P energy: -19.352
tors. eta vs tors. theta energy: -42.123
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: 6
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -459.512629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.512629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.512629 (E_RNA)
where:
Base-Base interactions energy: -320.324
where: short stacking energy: -149.548
Base-Backbone interact. energy: -0.196
local terms energy: -138.992558
where:
bonds (distance) C4'-P energy: -24.215
bonds (distance) P-C4' energy: -26.279
flat angles C4'-P-C4' energy: -30.243
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: -43.703
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: 5, replica: 1
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -444.477617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.477617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.477617 (E_RNA)
where:
Base-Base interactions energy: -310.681
where: short stacking energy: -132.030
Base-Backbone interact. energy: -0.203
local terms energy: -133.593913
where:
bonds (distance) C4'-P energy: -35.786
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -30.304
flat angles P-C4'-P energy: -17.753
tors. eta vs tors. theta energy: -31.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -439.697014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.697014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.697014 (E_RNA)
where:
Base-Base interactions energy: -303.351
where: short stacking energy: -135.177
Base-Backbone interact. energy: -0.639
local terms energy: -135.706706
where:
bonds (distance) C4'-P energy: -27.641
bonds (distance) P-C4' energy: -20.859
flat angles C4'-P-C4' energy: -29.131
flat angles P-C4'-P energy: -22.194
tors. eta vs tors. theta energy: -35.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -289.510657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.510657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.510657 (E_RNA)
where:
Base-Base interactions energy: -192.311
where: short stacking energy: -80.714
Base-Backbone interact. energy: 1.770
local terms energy: -98.969575
where:
bonds (distance) C4'-P energy: -20.150
bonds (distance) P-C4' energy: -25.088
flat angles C4'-P-C4' energy: -31.174
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -11.284
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: 190
Temperature: 1.250000
Total energy: -242.096724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.096724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.096724 (E_RNA)
where:
Base-Base interactions energy: -139.154
where: short stacking energy: -72.539
Base-Backbone interact. energy: -0.858
local terms energy: -102.084322
where:
bonds (distance) C4'-P energy: -24.226
bonds (distance) P-C4' energy: -20.090
flat angles C4'-P-C4' energy: -28.347
flat angles P-C4'-P energy: -17.834
tors. eta vs tors. theta energy: -11.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -225.816603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.816603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.816603 (E_RNA)
where:
Base-Base interactions energy: -134.430
where: short stacking energy: -69.591
Base-Backbone interact. energy: -0.288
local terms energy: -91.098145
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -20.174
flat angles C4'-P-C4' energy: -22.294
flat angles P-C4'-P energy: -15.158
tors. eta vs tors. theta energy: -10.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -137.560287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.560287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.560287 (E_RNA)
where:
Base-Base interactions energy: -53.897
where: short stacking energy: -46.430
Base-Backbone interact. energy: 5.308
local terms energy: -88.971373
where:
bonds (distance) C4'-P energy: -18.150
bonds (distance) P-C4' energy: -26.841
flat angles C4'-P-C4' energy: -27.727
flat angles P-C4'-P energy: -18.517
tors. eta vs tors. theta energy: 2.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -515.351505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.351505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.351505 (E_RNA)
where:
Base-Base interactions energy: -363.077
where: short stacking energy: -150.814
Base-Backbone interact. energy: -0.181
local terms energy: -152.093361
where:
bonds (distance) C4'-P energy: -27.546
bonds (distance) P-C4' energy: -25.445
flat angles C4'-P-C4' energy: -28.255
flat angles P-C4'-P energy: -21.039
tors. eta vs tors. theta energy: -49.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -478.546961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.546961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.546961 (E_RNA)
where:
Base-Base interactions energy: -334.082
where: short stacking energy: -143.809
Base-Backbone interact. energy: -0.896
local terms energy: -143.569129
where:
bonds (distance) C4'-P energy: -31.058
bonds (distance) P-C4' energy: -24.399
flat angles C4'-P-C4' energy: -29.038
flat angles P-C4'-P energy: -20.898
tors. eta vs tors. theta energy: -38.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -481.710789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.710789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.710789 (E_RNA)
where:
Base-Base interactions energy: -350.673
where: short stacking energy: -140.742
Base-Backbone interact. energy: -0.437
local terms energy: -130.600940
where:
bonds (distance) C4'-P energy: -19.401
bonds (distance) P-C4' energy: -26.467
flat angles C4'-P-C4' energy: -27.524
flat angles P-C4'-P energy: -17.821
tors. eta vs tors. theta energy: -39.388
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: 4, replica: 1
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -458.541475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.541475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.541475 (E_RNA)
where:
Base-Base interactions energy: -309.643
where: short stacking energy: -131.633
Base-Backbone interact. energy: -0.520
local terms energy: -148.378463
where:
bonds (distance) C4'-P energy: -27.100
bonds (distance) P-C4' energy: -26.145
flat angles C4'-P-C4' energy: -30.104
flat angles P-C4'-P energy: -22.155
tors. eta vs tors. theta energy: -42.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -424.054830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.054830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.054830 (E_RNA)
where:
Base-Base interactions energy: -286.274
where: short stacking energy: -129.935
Base-Backbone interact. energy: -1.664
local terms energy: -136.116821
where:
bonds (distance) C4'-P energy: -27.009
bonds (distance) P-C4' energy: -25.893
flat angles C4'-P-C4' energy: -27.978
flat angles P-C4'-P energy: -17.428
tors. eta vs tors. theta energy: -37.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -430.537343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.537343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.537343 (E_RNA)
where:
Base-Base interactions energy: -304.811
where: short stacking energy: -124.627
Base-Backbone interact. energy: -0.071
local terms energy: -125.655529
where:
bonds (distance) C4'-P energy: -25.560
bonds (distance) P-C4' energy: -24.211
flat angles C4'-P-C4' energy: -21.145
flat angles P-C4'-P energy: -17.717
tors. eta vs tors. theta energy: -37.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -303.444819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.444819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.444819 (E_RNA)
where:
Base-Base interactions energy: -196.186
where: short stacking energy: -85.837
Base-Backbone interact. energy: -0.028
local terms energy: -107.230166
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -26.145
flat angles C4'-P-C4' energy: -26.028
flat angles P-C4'-P energy: -16.436
tors. eta vs tors. theta energy: -20.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -230.947311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.947311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.947311 (E_RNA)
where:
Base-Base interactions energy: -117.700
where: short stacking energy: -59.050
Base-Backbone interact. energy: -0.390
local terms energy: -112.857513
where:
bonds (distance) C4'-P energy: -22.309
bonds (distance) P-C4' energy: -29.357
flat angles C4'-P-C4' energy: -25.125
flat angles P-C4'-P energy: -22.407
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: 9, replica: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -210.168252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.168252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.168252 (E_RNA)
where:
Base-Base interactions energy: -118.926
where: short stacking energy: -61.695
Base-Backbone interact. energy: 0.537
local terms energy: -91.778645
where:
bonds (distance) C4'-P energy: -19.208
bonds (distance) P-C4' energy: -26.393
flat angles C4'-P-C4' energy: -22.128
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -10.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -140.238655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.238655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.238655 (E_RNA)
where:
Base-Base interactions energy: -55.515
where: short stacking energy: -47.864
Base-Backbone interact. energy: 0.200
local terms energy: -84.924078
where:
bonds (distance) C4'-P energy: -21.328
bonds (distance) P-C4' energy: -26.414
flat angles C4'-P-C4' energy: -21.884
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -4.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -489.942596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.942596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.942596 (E_RNA)
where:
Base-Base interactions energy: -337.690
where: short stacking energy: -140.798
Base-Backbone interact. energy: -1.073
local terms energy: -151.180054
where:
bonds (distance) C4'-P energy: -26.217
bonds (distance) P-C4' energy: -25.808
flat angles C4'-P-C4' energy: -32.157
flat angles P-C4'-P energy: -22.469
tors. eta vs tors. theta energy: -44.530
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: 5
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -524.066141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.066141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.066141 (E_RNA)
where:
Base-Base interactions energy: -374.098
where: short stacking energy: -149.207
Base-Backbone interact. energy: -0.297
local terms energy: -149.671580
where:
bonds (distance) C4'-P energy: -25.608
bonds (distance) P-C4' energy: -28.959
flat angles C4'-P-C4' energy: -32.679
flat angles P-C4'-P energy: -20.589
tors. eta vs tors. theta energy: -41.837
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: 1
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -461.524312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.524312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.524312 (E_RNA)
where:
Base-Base interactions energy: -317.892
where: short stacking energy: -130.897
Base-Backbone interact. energy: 1.119
local terms energy: -144.751274
where:
bonds (distance) C4'-P energy: -32.833
bonds (distance) P-C4' energy: -31.544
flat angles C4'-P-C4' energy: -25.382
flat angles P-C4'-P energy: -18.600
tors. eta vs tors. theta energy: -36.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -460.379990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.379990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.379990 (E_RNA)
where:
Base-Base interactions energy: -327.975
where: short stacking energy: -132.347
Base-Backbone interact. energy: -1.456
local terms energy: -130.948982
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -27.884
flat angles C4'-P-C4' energy: -29.651
flat angles P-C4'-P energy: -20.552
tors. eta vs tors. theta energy: -39.291
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: 10
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -433.544059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.544059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.544059 (E_RNA)
where:
Base-Base interactions energy: -294.673
where: short stacking energy: -124.194
Base-Backbone interact. energy: -0.637
local terms energy: -138.234046
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -28.835
flat angles C4'-P-C4' energy: -32.082
flat angles P-C4'-P energy: -16.407
tors. eta vs tors. theta energy: -37.462
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: 6
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -428.522393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.522393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.522393 (E_RNA)
where:
Base-Base interactions energy: -287.383
where: short stacking energy: -133.203
Base-Backbone interact. energy: -0.124
local terms energy: -141.015527
where:
bonds (distance) C4'-P energy: -23.875
bonds (distance) P-C4' energy: -29.646
flat angles C4'-P-C4' energy: -30.313
flat angles P-C4'-P energy: -19.450
tors. eta vs tors. theta energy: -37.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -296.753199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.753199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.753199 (E_RNA)
where:
Base-Base interactions energy: -183.481
where: short stacking energy: -89.401
Base-Backbone interact. energy: -0.218
local terms energy: -113.053616
where:
bonds (distance) C4'-P energy: -25.642
bonds (distance) P-C4' energy: -30.626
flat angles C4'-P-C4' energy: -25.177
flat angles P-C4'-P energy: -16.993
tors. eta vs tors. theta energy: -14.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -206.917184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.917184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.917184 (E_RNA)
where:
Base-Base interactions energy: -115.240
where: short stacking energy: -56.134
Base-Backbone interact. energy: -0.927
local terms energy: -90.749779
where:
bonds (distance) C4'-P energy: -20.354
bonds (distance) P-C4' energy: -26.635
flat angles C4'-P-C4' energy: -26.151
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -7.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -196.675245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.675245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.675245 (E_RNA)
where:
Base-Base interactions energy: -95.093
where: short stacking energy: -55.525
Base-Backbone interact. energy: -0.262
local terms energy: -101.320510
where:
bonds (distance) C4'-P energy: -29.046
bonds (distance) P-C4' energy: -27.693
flat angles C4'-P-C4' energy: -28.269
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -132.305138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.305138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.305138 (E_RNA)
where:
Base-Base interactions energy: -51.855
where: short stacking energy: -51.800
Base-Backbone interact. energy: -0.407
local terms energy: -80.042254
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -25.503
flat angles C4'-P-C4' energy: -27.077
flat angles P-C4'-P energy: -2.234
tors. eta vs tors. theta energy: -11.118
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: 3
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -491.773158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.773158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.773158 (E_RNA)
where:
Base-Base interactions energy: -339.488
where: short stacking energy: -142.959
Base-Backbone interact. energy: -0.146
local terms energy: -152.138928
where:
bonds (distance) C4'-P energy: -28.415
bonds (distance) P-C4' energy: -28.982
flat angles C4'-P-C4' energy: -29.993
flat angles P-C4'-P energy: -22.680
tors. eta vs tors. theta energy: -42.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -511.616679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.616679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.616679 (E_RNA)
where:
Base-Base interactions energy: -356.504
where: short stacking energy: -155.676
Base-Backbone interact. energy: -0.045
local terms energy: -155.067336
where:
bonds (distance) C4'-P energy: -27.096
bonds (distance) P-C4' energy: -28.277
flat angles C4'-P-C4' energy: -30.599
flat angles P-C4'-P energy: -23.787
tors. eta vs tors. theta energy: -45.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -456.855827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.855827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.855827 (E_RNA)
where:
Base-Base interactions energy: -324.850
where: short stacking energy: -140.464
Base-Backbone interact. energy: 1.813
local terms energy: -133.818911
where:
bonds (distance) C4'-P energy: -25.594
bonds (distance) P-C4' energy: -25.726
flat angles C4'-P-C4' energy: -29.198
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -37.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -453.235940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.235940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.235940 (E_RNA)
where:
Base-Base interactions energy: -320.514
where: short stacking energy: -135.509
Base-Backbone interact. energy: 0.203
local terms energy: -132.924188
where:
bonds (distance) C4'-P energy: -27.514
bonds (distance) P-C4' energy: -20.267
flat angles C4'-P-C4' energy: -23.872
flat angles P-C4'-P energy: -19.066
tors. eta vs tors. theta energy: -42.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -455.907733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.907733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.907733 (E_RNA)
where:
Base-Base interactions energy: -320.763
where: short stacking energy: -137.240
Base-Backbone interact. energy: -0.085
local terms energy: -135.060556
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -27.496
flat angles C4'-P-C4' energy: -28.534
flat angles P-C4'-P energy: -21.831
tors. eta vs tors. theta energy: -37.991
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: 193
Temperature: 1.150000
Total energy: -436.477639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.477639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.477639 (E_RNA)
where:
Base-Base interactions energy: -294.504
where: short stacking energy: -142.411
Base-Backbone interact. energy: -0.028
local terms energy: -141.945684
where:
bonds (distance) C4'-P energy: -27.643
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -30.551
flat angles P-C4'-P energy: -25.482
tors. eta vs tors. theta energy: -42.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -275.758863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.758863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.758863 (E_RNA)
where:
Base-Base interactions energy: -169.693
where: short stacking energy: -74.779
Base-Backbone interact. energy: 2.065
local terms energy: -108.130969
where:
bonds (distance) C4'-P energy: -26.550
bonds (distance) P-C4' energy: -30.069
flat angles C4'-P-C4' energy: -29.295
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -11.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -149.401497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.401497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.401497 (E_RNA)
where:
Base-Base interactions energy: -60.761
where: short stacking energy: -43.246
Base-Backbone interact. energy: 0.483
local terms energy: -89.123244
where:
bonds (distance) C4'-P energy: -26.516
bonds (distance) P-C4' energy: -26.352
flat angles C4'-P-C4' energy: -21.273
flat angles P-C4'-P energy: -16.459
tors. eta vs tors. theta energy: 1.477
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: 9, replica: 4
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -199.719436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.719436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.719436 (E_RNA)
where:
Base-Base interactions energy: -107.033
where: short stacking energy: -52.988
Base-Backbone interact. energy: -0.183
local terms energy: -92.503267
where:
bonds (distance) C4'-P energy: -24.176
bonds (distance) P-C4' energy: -26.851
flat angles C4'-P-C4' energy: -22.503
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -6.663
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: 10, replica: 7
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -136.949427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.949427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.949427 (E_RNA)
where:
Base-Base interactions energy: -52.098
where: short stacking energy: -48.953
Base-Backbone interact. energy: 0.026
local terms energy: -84.877291
where:
bonds (distance) C4'-P energy: -29.137
bonds (distance) P-C4' energy: -23.410
flat angles C4'-P-C4' energy: -24.565
flat angles P-C4'-P energy: -9.440
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: 1, replica: 5
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -528.633779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.633779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.633779 (E_RNA)
where:
Base-Base interactions energy: -369.069
where: short stacking energy: -151.646
Base-Backbone interact. energy: -0.356
local terms energy: -159.208554
where:
bonds (distance) C4'-P energy: -29.398
bonds (distance) P-C4' energy: -26.576
flat angles C4'-P-C4' energy: -34.790
flat angles P-C4'-P energy: -22.251
tors. eta vs tors. theta energy: -46.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -490.682056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.682056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.682056 (E_RNA)
where:
Base-Base interactions energy: -332.747
where: short stacking energy: -144.881
Base-Backbone interact. energy: -0.176
local terms energy: -157.759102
where:
bonds (distance) C4'-P energy: -18.772
bonds (distance) P-C4' energy: -34.419
flat angles C4'-P-C4' energy: -35.394
flat angles P-C4'-P energy: -22.752
tors. eta vs tors. theta energy: -46.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -470.324668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.324668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.324668 (E_RNA)
where:
Base-Base interactions energy: -324.167
where: short stacking energy: -127.459
Base-Backbone interact. energy: -0.700
local terms energy: -145.457512
where:
bonds (distance) C4'-P energy: -28.156
bonds (distance) P-C4' energy: -27.579
flat angles C4'-P-C4' energy: -33.006
flat angles P-C4'-P energy: -21.045
tors. eta vs tors. theta energy: -35.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -451.867453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.867453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.867453 (E_RNA)
where:
Base-Base interactions energy: -320.907
where: short stacking energy: -139.474
Base-Backbone interact. energy: -0.258
local terms energy: -130.702237
where:
bonds (distance) C4'-P energy: -19.856
bonds (distance) P-C4' energy: -23.896
flat angles C4'-P-C4' energy: -29.757
flat angles P-C4'-P energy: -21.343
tors. eta vs tors. theta energy: -35.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -460.967492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.967492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.967492 (E_RNA)
where:
Base-Base interactions energy: -329.552
where: short stacking energy: -129.633
Base-Backbone interact. energy: -0.335
local terms energy: -131.081123
where:
bonds (distance) C4'-P energy: -32.348
bonds (distance) P-C4' energy: -24.209
flat angles C4'-P-C4' energy: -23.784
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -36.792
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: 6
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -442.807249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.807249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.807249 (E_RNA)
where:
Base-Base interactions energy: -291.195
where: short stacking energy: -135.457
Base-Backbone interact. energy: -0.156
local terms energy: -151.455944
where:
bonds (distance) C4'-P energy: -30.506
bonds (distance) P-C4' energy: -29.698
flat angles C4'-P-C4' energy: -30.482
flat angles P-C4'-P energy: -22.032
tors. eta vs tors. theta energy: -38.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -322.445098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.445098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.445098 (E_RNA)
where:
Base-Base interactions energy: -217.630
where: short stacking energy: -91.580
Base-Backbone interact. energy: -0.258
local terms energy: -104.557151
where:
bonds (distance) C4'-P energy: -23.213
bonds (distance) P-C4' energy: -24.822
flat angles C4'-P-C4' energy: -29.703
flat angles P-C4'-P energy: -18.639
tors. eta vs tors. theta energy: -8.180
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: 8
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -151.030329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.030329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.030329 (E_RNA)
where:
Base-Base interactions energy: -66.098
where: short stacking energy: -45.376
Base-Backbone interact. energy: -0.565
local terms energy: -84.366981
where:
bonds (distance) C4'-P energy: -23.378
bonds (distance) P-C4' energy: -23.212
flat angles C4'-P-C4' energy: -22.846
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -3.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -207.292590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.292590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.292590 (E_RNA)
where:
Base-Base interactions energy: -122.029
where: short stacking energy: -59.308
Base-Backbone interact. energy: -0.315
local terms energy: -84.948880
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -29.774
flat angles C4'-P-C4' energy: -25.474
flat angles P-C4'-P energy: -3.436
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -139.107723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.107723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.107723 (E_RNA)
where:
Base-Base interactions energy: -57.309
where: short stacking energy: -54.299
Base-Backbone interact. energy: 2.337
local terms energy: -84.136353
where:
bonds (distance) C4'-P energy: -26.273
bonds (distance) P-C4' energy: -18.670
flat angles C4'-P-C4' energy: -24.909
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -6.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -527.701953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.701953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.701953 (E_RNA)
where:
Base-Base interactions energy: -368.168
where: short stacking energy: -164.493
Base-Backbone interact. energy: 0.566
local terms energy: -160.100356
where:
bonds (distance) C4'-P energy: -30.849
bonds (distance) P-C4' energy: -27.791
flat angles C4'-P-C4' energy: -33.116
flat angles P-C4'-P energy: -21.071
tors. eta vs tors. theta energy: -47.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -494.542371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.542371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.542371 (E_RNA)
where:
Base-Base interactions energy: -347.180
where: short stacking energy: -151.073
Base-Backbone interact. energy: -0.418
local terms energy: -146.944105
where:
bonds (distance) C4'-P energy: -29.785
bonds (distance) P-C4' energy: -25.702
flat angles C4'-P-C4' energy: -31.365
flat angles P-C4'-P energy: -17.984
tors. eta vs tors. theta energy: -42.109
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: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -475.092745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.092745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.092745 (E_RNA)
where:
Base-Base interactions energy: -336.252
where: short stacking energy: -135.406
Base-Backbone interact. energy: 0.223
local terms energy: -139.064066
where:
bonds (distance) C4'-P energy: -27.122
bonds (distance) P-C4' energy: -32.030
flat angles C4'-P-C4' energy: -25.071
flat angles P-C4'-P energy: -16.590
tors. eta vs tors. theta energy: -38.252
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: 9
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -470.339395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.339395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.339395 (E_RNA)
where:
Base-Base interactions energy: -335.017
where: short stacking energy: -140.825
Base-Backbone interact. energy: 0.257
local terms energy: -135.579076
where:
bonds (distance) C4'-P energy: -23.931
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -31.953
flat angles P-C4'-P energy: -17.499
tors. eta vs tors. theta energy: -40.752
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: 10
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -462.095618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.095618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.095618 (E_RNA)
where:
Base-Base interactions energy: -320.790
where: short stacking energy: -135.469
Base-Backbone interact. energy: -1.829
local terms energy: -139.476968
where:
bonds (distance) C4'-P energy: -23.510
bonds (distance) P-C4' energy: -27.107
flat angles C4'-P-C4' energy: -30.231
flat angles P-C4'-P energy: -20.765
tors. eta vs tors. theta energy: -37.863
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: 6
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -436.395702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.395702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.395702 (E_RNA)
where:
Base-Base interactions energy: -294.896
where: short stacking energy: -136.368
Base-Backbone interact. energy: -0.548
local terms energy: -140.951094
where:
bonds (distance) C4'-P energy: -23.136
bonds (distance) P-C4' energy: -24.444
flat angles C4'-P-C4' energy: -28.401
flat angles P-C4'-P energy: -21.543
tors. eta vs tors. theta energy: -43.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -354.415455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.415455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.415455 (E_RNA)
where:
Base-Base interactions energy: -227.958
where: short stacking energy: -100.297
Base-Backbone interact. energy: -1.315
local terms energy: -125.142225
where:
bonds (distance) C4'-P energy: -25.838
bonds (distance) P-C4' energy: -28.260
flat angles C4'-P-C4' energy: -24.640
flat angles P-C4'-P energy: -19.783
tors. eta vs tors. theta energy: -26.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -214.635182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.635182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.635182 (E_RNA)
where:
Base-Base interactions energy: -120.751
where: short stacking energy: -66.705
Base-Backbone interact. energy: -0.162
local terms energy: -93.722386
where:
bonds (distance) C4'-P energy: -24.159
bonds (distance) P-C4' energy: -25.700
flat angles C4'-P-C4' energy: -18.433
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -11.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -218.055242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.055242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.055242 (E_RNA)
where:
Base-Base interactions energy: -118.957
where: short stacking energy: -61.483
Base-Backbone interact. energy: -0.230
local terms energy: -98.867376
where:
bonds (distance) C4'-P energy: -25.460
bonds (distance) P-C4' energy: -22.548
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -18.656
tors. eta vs tors. theta energy: -12.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -123.842679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.842679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.842679 (E_RNA)
where:
Base-Base interactions energy: -43.123
where: short stacking energy: -34.148
Base-Backbone interact. energy: -1.103
local terms energy: -79.617476
where:
bonds (distance) C4'-P energy: -23.357
bonds (distance) P-C4' energy: -23.794
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: 3.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -525.516769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.516769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.516769 (E_RNA)
where:
Base-Base interactions energy: -364.146
where: short stacking energy: -151.468
Base-Backbone interact. energy: -0.026
local terms energy: -161.344788
where:
bonds (distance) C4'-P energy: -31.021
bonds (distance) P-C4' energy: -29.922
flat angles C4'-P-C4' energy: -28.271
flat angles P-C4'-P energy: -24.615
tors. eta vs tors. theta energy: -47.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -491.842362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.842362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.842362 (E_RNA)
where:
Base-Base interactions energy: -340.395
where: short stacking energy: -143.820
Base-Backbone interact. energy: -0.246
local terms energy: -151.201305
where:
bonds (distance) C4'-P energy: -26.782
bonds (distance) P-C4' energy: -31.752
flat angles C4'-P-C4' energy: -30.993
flat angles P-C4'-P energy: -19.143
tors. eta vs tors. theta energy: -42.532
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: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -460.984468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.984468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.984468 (E_RNA)
where:
Base-Base interactions energy: -311.351
where: short stacking energy: -131.063
Base-Backbone interact. energy: -0.621
local terms energy: -149.012808
where:
bonds (distance) C4'-P energy: -32.402
bonds (distance) P-C4' energy: -33.288
flat angles C4'-P-C4' energy: -32.001
flat angles P-C4'-P energy: -17.752
tors. eta vs tors. theta energy: -33.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -476.543157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.543157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.543157 (E_RNA)
where:
Base-Base interactions energy: -351.845
where: short stacking energy: -137.791
Base-Backbone interact. energy: 0.929
local terms energy: -125.626646
where:
bonds (distance) C4'-P energy: -25.225
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -24.275
flat angles P-C4'-P energy: -21.555
tors. eta vs tors. theta energy: -37.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -449.991256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.991256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.991256 (E_RNA)
where:
Base-Base interactions energy: -293.677
where: short stacking energy: -137.531
Base-Backbone interact. energy: -0.003
local terms energy: -156.310841
where:
bonds (distance) C4'-P energy: -30.112
bonds (distance) P-C4' energy: -30.595
flat angles C4'-P-C4' energy: -31.416
flat angles P-C4'-P energy: -20.805
tors. eta vs tors. theta energy: -43.382
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: 6, replica: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -431.509677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.509677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.509677 (E_RNA)
where:
Base-Base interactions energy: -298.187
where: short stacking energy: -124.198
Base-Backbone interact. energy: 0.246
local terms energy: -133.568789
where:
bonds (distance) C4'-P energy: -23.643
bonds (distance) P-C4' energy: -29.095
flat angles C4'-P-C4' energy: -27.473
flat angles P-C4'-P energy: -20.810
tors. eta vs tors. theta energy: -32.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -336.188231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.188231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.188231 (E_RNA)
where:
Base-Base interactions energy: -209.466
where: short stacking energy: -100.533
Base-Backbone interact. energy: 0.691
local terms energy: -127.413740
where:
bonds (distance) C4'-P energy: -20.442
bonds (distance) P-C4' energy: -28.971
flat angles C4'-P-C4' energy: -27.645
flat angles P-C4'-P energy: -23.534
tors. eta vs tors. theta energy: -26.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -206.735784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.735784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.735784 (E_RNA)
where:
Base-Base interactions energy: -101.398
where: short stacking energy: -55.134
Base-Backbone interact. energy: -0.257
local terms energy: -105.080450
where:
bonds (distance) C4'-P energy: -23.371
bonds (distance) P-C4' energy: -30.048
flat angles C4'-P-C4' energy: -21.923
flat angles P-C4'-P energy: -19.388
tors. eta vs tors. theta energy: -10.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -206.440890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.440890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.440890 (E_RNA)
where:
Base-Base interactions energy: -124.803
where: short stacking energy: -64.762
Base-Backbone interact. energy: -0.864
local terms energy: -80.773700
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -28.923
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -7.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -130.439642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.439642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.439642 (E_RNA)
where:
Base-Base interactions energy: -48.595
where: short stacking energy: -35.954
Base-Backbone interact. energy: -0.739
local terms energy: -81.105509
where:
bonds (distance) C4'-P energy: -27.274
bonds (distance) P-C4' energy: -25.150
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: 4.017
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: 5
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -524.744295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.744295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.744295 (E_RNA)
where:
Base-Base interactions energy: -367.865
where: short stacking energy: -159.134
Base-Backbone interact. energy: -0.003
local terms energy: -156.875764
where:
bonds (distance) C4'-P energy: -26.736
bonds (distance) P-C4' energy: -29.553
flat angles C4'-P-C4' energy: -32.192
flat angles P-C4'-P energy: -19.680
tors. eta vs tors. theta energy: -48.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -474.159718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.159718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.159718 (E_RNA)
where:
Base-Base interactions energy: -337.021
where: short stacking energy: -131.015
Base-Backbone interact. energy: -1.000
local terms energy: -136.138198
where:
bonds (distance) C4'-P energy: -28.419
bonds (distance) P-C4' energy: -26.819
flat angles C4'-P-C4' energy: -28.437
flat angles P-C4'-P energy: -19.923
tors. eta vs tors. theta energy: -32.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -468.691527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.691527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.691527 (E_RNA)
where:
Base-Base interactions energy: -321.613
where: short stacking energy: -149.627
Base-Backbone interact. energy: -0.079
local terms energy: -146.999186
where:
bonds (distance) C4'-P energy: -27.106
bonds (distance) P-C4' energy: -25.509
flat angles C4'-P-C4' energy: -30.910
flat angles P-C4'-P energy: -23.112
tors. eta vs tors. theta energy: -40.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -471.259522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.259522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.259522 (E_RNA)
where:
Base-Base interactions energy: -324.626
where: short stacking energy: -147.081
Base-Backbone interact. energy: -0.241
local terms energy: -146.393053
where:
bonds (distance) C4'-P energy: -24.558
bonds (distance) P-C4' energy: -26.457
flat angles C4'-P-C4' energy: -32.547
flat angles P-C4'-P energy: -24.446
tors. eta vs tors. theta energy: -38.386
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: 197
Temperature: 1.100000
Total energy: -448.934873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.934873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.934873 (E_RNA)
where:
Base-Base interactions energy: -303.983
where: short stacking energy: -137.577
Base-Backbone interact. energy: -0.166
local terms energy: -144.785088
where:
bonds (distance) C4'-P energy: -28.939
bonds (distance) P-C4' energy: -30.120
flat angles C4'-P-C4' energy: -30.039
flat angles P-C4'-P energy: -19.660
tors. eta vs tors. theta energy: -36.028
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: 6, replica: 10
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -435.635274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.635274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.635274 (E_RNA)
where:
Base-Base interactions energy: -300.604
where: short stacking energy: -117.770
Base-Backbone interact. energy: -0.682
local terms energy: -134.349047
where:
bonds (distance) C4'-P energy: -28.181
bonds (distance) P-C4' energy: -23.104
flat angles C4'-P-C4' energy: -30.000
flat angles P-C4'-P energy: -20.091
tors. eta vs tors. theta energy: -32.972
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: 2
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -341.080247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.080247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.080247 (E_RNA)
where:
Base-Base interactions energy: -217.745
where: short stacking energy: -95.499
Base-Backbone interact. energy: -0.226
local terms energy: -123.109907
where:
bonds (distance) C4'-P energy: -25.523
bonds (distance) P-C4' energy: -27.537
flat angles C4'-P-C4' energy: -27.017
flat angles P-C4'-P energy: -17.437
tors. eta vs tors. theta energy: -25.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -231.895506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.895506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.895506 (E_RNA)
where:
Base-Base interactions energy: -135.119
where: short stacking energy: -70.337
Base-Backbone interact. energy: 2.427
local terms energy: -99.203829
where:
bonds (distance) C4'-P energy: -22.700
bonds (distance) P-C4' energy: -26.790
flat angles C4'-P-C4' energy: -17.986
flat angles P-C4'-P energy: -17.452
tors. eta vs tors. theta energy: -14.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -211.403256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.403256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.403256 (E_RNA)
where:
Base-Base interactions energy: -121.106
where: short stacking energy: -60.869
Base-Backbone interact. energy: -1.022
local terms energy: -89.275703
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -25.006
flat angles C4'-P-C4' energy: -21.187
flat angles P-C4'-P energy: -14.327
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: 10, replica: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -137.977658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.977658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.977658 (E_RNA)
where:
Base-Base interactions energy: -57.124
where: short stacking energy: -44.796
Base-Backbone interact. energy: 0.105
local terms energy: -80.958996
where:
bonds (distance) C4'-P energy: -21.584
bonds (distance) P-C4' energy: -27.200
flat angles C4'-P-C4' energy: -24.818
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: 3.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -526.724852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.724852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.724852 (E_RNA)
where:
Base-Base interactions energy: -374.794
where: short stacking energy: -159.742
Base-Backbone interact. energy: 1.826
local terms energy: -153.757024
where:
bonds (distance) C4'-P energy: -26.109
bonds (distance) P-C4' energy: -29.700
flat angles C4'-P-C4' energy: -30.841
flat angles P-C4'-P energy: -18.152
tors. eta vs tors. theta energy: -48.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -469.009569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.009569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.009569 (E_RNA)
where:
Base-Base interactions energy: -337.058
where: short stacking energy: -131.942
Base-Backbone interact. energy: 0.646
local terms energy: -132.597687
where:
bonds (distance) C4'-P energy: -29.023
bonds (distance) P-C4' energy: -26.259
flat angles C4'-P-C4' energy: -26.767
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: -35.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -478.833286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.833286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.833286 (E_RNA)
where:
Base-Base interactions energy: -326.887
where: short stacking energy: -146.168
Base-Backbone interact. energy: -0.096
local terms energy: -151.850395
where:
bonds (distance) C4'-P energy: -28.087
bonds (distance) P-C4' energy: -32.423
flat angles C4'-P-C4' energy: -29.292
flat angles P-C4'-P energy: -23.559
tors. eta vs tors. theta energy: -38.489
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: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -466.068332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.068332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.068332 (E_RNA)
where:
Base-Base interactions energy: -316.925
where: short stacking energy: -144.758
Base-Backbone interact. energy: -0.490
local terms energy: -148.653301
where:
bonds (distance) C4'-P energy: -29.666
bonds (distance) P-C4' energy: -23.086
flat angles C4'-P-C4' energy: -29.806
flat angles P-C4'-P energy: -21.712
tors. eta vs tors. theta energy: -44.382
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: 10
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -455.778171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.778171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.778171 (E_RNA)
where:
Base-Base interactions energy: -317.727
where: short stacking energy: -132.562
Base-Backbone interact. energy: -0.634
local terms energy: -137.417650
where:
bonds (distance) C4'-P energy: -20.253
bonds (distance) P-C4' energy: -25.435
flat angles C4'-P-C4' energy: -30.500
flat angles P-C4'-P energy: -22.258
tors. eta vs tors. theta energy: -38.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -440.129272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.129272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.129272 (E_RNA)
where:
Base-Base interactions energy: -307.277
where: short stacking energy: -130.297
Base-Backbone interact. energy: -0.364
local terms energy: -132.487822
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -24.974
flat angles C4'-P-C4' energy: -23.771
flat angles P-C4'-P energy: -24.715
tors. eta vs tors. theta energy: -39.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -344.324823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.324823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.324823 (E_RNA)
where:
Base-Base interactions energy: -230.244
where: short stacking energy: -105.577
Base-Backbone interact. energy: -0.067
local terms energy: -114.014025
where:
bonds (distance) C4'-P energy: -22.209
bonds (distance) P-C4' energy: -26.442
flat angles C4'-P-C4' energy: -20.311
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -29.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -232.857140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.857140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.857140 (E_RNA)
where:
Base-Base interactions energy: -144.770
where: short stacking energy: -67.286
Base-Backbone interact. energy: -1.301
local terms energy: -86.786020
where:
bonds (distance) C4'-P energy: -24.853
bonds (distance) P-C4' energy: -22.143
flat angles C4'-P-C4' energy: -19.754
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -6.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -210.845044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.845044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.845044 (E_RNA)
where:
Base-Base interactions energy: -119.049
where: short stacking energy: -60.031
Base-Backbone interact. energy: 9.601
local terms energy: -101.396335
where:
bonds (distance) C4'-P energy: -26.694
bonds (distance) P-C4' energy: -18.894
flat angles C4'-P-C4' energy: -23.976
flat angles P-C4'-P energy: -18.428
tors. eta vs tors. theta energy: -13.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -149.529070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.529070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.529070 (E_RNA)
where:
Base-Base interactions energy: -63.779
where: short stacking energy: -33.134
Base-Backbone interact. energy: -0.371
local terms energy: -85.379070
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -26.642
flat angles C4'-P-C4' energy: -22.496
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: 1.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -516.519083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.519083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.519083 (E_RNA)
where:
Base-Base interactions energy: -361.446
where: short stacking energy: -144.201
Base-Backbone interact. energy: 0.099
local terms energy: -155.172703
where:
bonds (distance) C4'-P energy: -29.119
bonds (distance) P-C4' energy: -28.145
flat angles C4'-P-C4' energy: -29.219
flat angles P-C4'-P energy: -23.928
tors. eta vs tors. theta energy: -44.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -479.214038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.214038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.214038 (E_RNA)
where:
Base-Base interactions energy: -332.968
where: short stacking energy: -143.939
Base-Backbone interact. energy: -0.111
local terms energy: -146.134623
where:
bonds (distance) C4'-P energy: -29.989
bonds (distance) P-C4' energy: -26.124
flat angles C4'-P-C4' energy: -30.245
flat angles P-C4'-P energy: -23.143
tors. eta vs tors. theta energy: -36.634
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: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -468.012534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.012534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.012534 (E_RNA)
where:
Base-Base interactions energy: -327.721
where: short stacking energy: -136.658
Base-Backbone interact. energy: -0.474
local terms energy: -139.816712
where:
bonds (distance) C4'-P energy: -24.663
bonds (distance) P-C4' energy: -28.859
flat angles C4'-P-C4' energy: -29.215
flat angles P-C4'-P energy: -17.601
tors. eta vs tors. theta energy: -39.479
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: 10
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -449.786226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.786226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.786226 (E_RNA)
where:
Base-Base interactions energy: -330.067
where: short stacking energy: -133.089
Base-Backbone interact. energy: -0.818
local terms energy: -118.901118
where:
bonds (distance) C4'-P energy: -26.496
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -23.724
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -34.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -443.925290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.925290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.925290 (E_RNA)
where:
Base-Base interactions energy: -301.927
where: short stacking energy: -140.225
Base-Backbone interact. energy: -0.163
local terms energy: -141.834913
where:
bonds (distance) C4'-P energy: -27.638
bonds (distance) P-C4' energy: -28.475
flat angles C4'-P-C4' energy: -24.298
flat angles P-C4'-P energy: -18.510
tors. eta vs tors. theta energy: -42.914
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: 6
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -430.432986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.432986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.432986 (E_RNA)
where:
Base-Base interactions energy: -292.414
where: short stacking energy: -122.768
Base-Backbone interact. energy: -2.180
local terms energy: -135.839235
where:
bonds (distance) C4'-P energy: -25.697
bonds (distance) P-C4' energy: -25.468
flat angles C4'-P-C4' energy: -25.780
flat angles P-C4'-P energy: -20.478
tors. eta vs tors. theta energy: -38.418
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: 2
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -345.201517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.201517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.201517 (E_RNA)
where:
Base-Base interactions energy: -224.165
where: short stacking energy: -106.138
Base-Backbone interact. energy: 2.019
local terms energy: -123.054957
where:
bonds (distance) C4'-P energy: -22.045
bonds (distance) P-C4' energy: -30.399
flat angles C4'-P-C4' energy: -33.757
flat angles P-C4'-P energy: -9.653
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: 8, replica: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -230.397318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.397318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.397318 (E_RNA)
where:
Base-Base interactions energy: -131.883
where: short stacking energy: -58.161
Base-Backbone interact. energy: 1.476
local terms energy: -99.990230
where:
bonds (distance) C4'-P energy: -26.591
bonds (distance) P-C4' energy: -29.763
flat angles C4'-P-C4' energy: -23.087
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -6.909
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: 199
Temperature: 1.300000
Total energy: -257.366981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.366981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.366981 (E_RNA)
where:
Base-Base interactions energy: -153.030
where: short stacking energy: -99.720
Base-Backbone interact. energy: 0.699
local terms energy: -105.035936
where:
bonds (distance) C4'-P energy: -21.716
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -25.764
flat angles P-C4'-P energy: -15.581
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: 10, replica: 7
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -140.021605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.021605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.021605 (E_RNA)
where:
Base-Base interactions energy: -71.230
where: short stacking energy: -37.554
Base-Backbone interact. energy: 4.357
local terms energy: -73.148176
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -28.974
flat angles C4'-P-C4' energy: -23.035
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: 3.121
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: 5
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -520.328735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.328735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.328735 (E_RNA)
where:
Base-Base interactions energy: -368.783
where: short stacking energy: -158.709
Base-Backbone interact. energy: -0.015
local terms energy: -151.530998
where:
bonds (distance) C4'-P energy: -23.039
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -32.737
flat angles P-C4'-P energy: -25.021
tors. eta vs tors. theta energy: -46.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -493.512721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.512721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.512721 (E_RNA)
where:
Base-Base interactions energy: -340.742
where: short stacking energy: -144.469
Base-Backbone interact. energy: -0.016
local terms energy: -152.755004
where:
bonds (distance) C4'-P energy: -33.779
bonds (distance) P-C4' energy: -30.058
flat angles C4'-P-C4' energy: -30.268
flat angles P-C4'-P energy: -19.112
tors. eta vs tors. theta energy: -39.538
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: 1
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -466.763865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.763865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.763865 (E_RNA)
where:
Base-Base interactions energy: -320.797
where: short stacking energy: -130.288
Base-Backbone interact. energy: 0.699
local terms energy: -146.666041
where:
bonds (distance) C4'-P energy: -26.459
bonds (distance) P-C4' energy: -28.313
flat angles C4'-P-C4' energy: -30.381
flat angles P-C4'-P energy: -19.591
tors. eta vs tors. theta energy: -41.923
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: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -452.167414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.167414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.167414 (E_RNA)
where:
Base-Base interactions energy: -311.864
where: short stacking energy: -140.928
Base-Backbone interact. energy: -0.073
local terms energy: -140.230159
where:
bonds (distance) C4'-P energy: -27.221
bonds (distance) P-C4' energy: -26.918
flat angles C4'-P-C4' energy: -24.699
flat angles P-C4'-P energy: -24.471
tors. eta vs tors. theta energy: -36.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -455.679796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.679796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.679796 (E_RNA)
where:
Base-Base interactions energy: -324.813
where: short stacking energy: -146.377
Base-Backbone interact. energy: -0.331
local terms energy: -130.535272
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -25.724
flat angles C4'-P-C4' energy: -33.995
flat angles P-C4'-P energy: -15.366
tors. eta vs tors. theta energy: -37.061
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: 6, replica: 3
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -423.587232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.587232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.587232 (E_RNA)
where:
Base-Base interactions energy: -277.808
where: short stacking energy: -121.769
Base-Backbone interact. energy: -0.116
local terms energy: -145.663184
where:
bonds (distance) C4'-P energy: -28.419
bonds (distance) P-C4' energy: -26.838
flat angles C4'-P-C4' energy: -28.694
flat angles P-C4'-P energy: -23.721
tors. eta vs tors. theta energy: -37.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -344.272036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.272036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.272036 (E_RNA)
where:
Base-Base interactions energy: -223.930
where: short stacking energy: -94.641
Base-Backbone interact. energy: -0.424
local terms energy: -119.918522
where:
bonds (distance) C4'-P energy: -29.419
bonds (distance) P-C4' energy: -26.763
flat angles C4'-P-C4' energy: -27.511
flat angles P-C4'-P energy: -17.502
tors. eta vs tors. theta energy: -18.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -229.072781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.072781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.072781 (E_RNA)
where:
Base-Base interactions energy: -126.019
where: short stacking energy: -78.128
Base-Backbone interact. energy: -0.235
local terms energy: -102.819059
where:
bonds (distance) C4'-P energy: -27.345
bonds (distance) P-C4' energy: -25.777
flat angles C4'-P-C4' energy: -23.106
flat angles P-C4'-P energy: -16.727
tors. eta vs tors. theta energy: -9.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -221.527385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.527385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.527385 (E_RNA)
where:
Base-Base interactions energy: -130.323
where: short stacking energy: -69.156
Base-Backbone interact. energy: -0.207
local terms energy: -90.997137
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -26.222
flat angles C4'-P-C4' energy: -20.922
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -9.130
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: 10, replica: 7
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -129.683156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.683156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.683156 (E_RNA)
where:
Base-Base interactions energy: -56.552
where: short stacking energy: -40.238
Base-Backbone interact. energy: -1.232
local terms energy: -71.898982
where:
bonds (distance) C4'-P energy: -21.813
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: 2.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -522.199029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.199029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.199029 (E_RNA)
where:
Base-Base interactions energy: -364.368
where: short stacking energy: -153.516
Base-Backbone interact. energy: -1.183
local terms energy: -156.647801
where:
bonds (distance) C4'-P energy: -25.535
bonds (distance) P-C4' energy: -29.622
flat angles C4'-P-C4' energy: -33.802
flat angles P-C4'-P energy: -20.721
tors. eta vs tors. theta energy: -46.968
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: 9
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -499.211256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.211256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.211256 (E_RNA)
where:
Base-Base interactions energy: -352.147
where: short stacking energy: -152.878
Base-Backbone interact. energy: 1.691
local terms energy: -148.755787
where:
bonds (distance) C4'-P energy: -28.537
bonds (distance) P-C4' energy: -31.790
flat angles C4'-P-C4' energy: -32.831
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -41.254
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: 1
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -450.739518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.739518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.739518 (E_RNA)
where:
Base-Base interactions energy: -305.714
where: short stacking energy: -129.307
Base-Backbone interact. energy: -1.121
local terms energy: -143.904825
where:
bonds (distance) C4'-P energy: -30.659
bonds (distance) P-C4' energy: -31.242
flat angles C4'-P-C4' energy: -30.509
flat angles P-C4'-P energy: -20.312
tors. eta vs tors. theta energy: -31.182
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: 4, replica: 10
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -463.607806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.607806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.607806 (E_RNA)
where:
Base-Base interactions energy: -321.051
where: short stacking energy: -140.784
Base-Backbone interact. energy: 0.383
local terms energy: -142.939505
where:
bonds (distance) C4'-P energy: -21.190
bonds (distance) P-C4' energy: -29.181
flat angles C4'-P-C4' energy: -27.282
flat angles P-C4'-P energy: -24.132
tors. eta vs tors. theta energy: -41.155
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: 6
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -453.601509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.601509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.601509 (E_RNA)
where:
Base-Base interactions energy: -306.494
where: short stacking energy: -140.586
Base-Backbone interact. energy: -1.408
local terms energy: -145.699296
where:
bonds (distance) C4'-P energy: -28.566
bonds (distance) P-C4' energy: -27.055
flat angles C4'-P-C4' energy: -31.573
flat angles P-C4'-P energy: -18.009
tors. eta vs tors. theta energy: -40.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -446.909543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.909543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.909543 (E_RNA)
where:
Base-Base interactions energy: -315.231
where: short stacking energy: -145.777
Base-Backbone interact. energy: -0.142
local terms energy: -131.537276
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -25.149
flat angles C4'-P-C4' energy: -27.016
flat angles P-C4'-P energy: -18.347
tors. eta vs tors. theta energy: -43.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -330.875654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.875654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.875654 (E_RNA)
where:
Base-Base interactions energy: -213.214
where: short stacking energy: -93.855
Base-Backbone interact. energy: -0.403
local terms energy: -117.258293
where:
bonds (distance) C4'-P energy: -24.675
bonds (distance) P-C4' energy: -25.989
flat angles C4'-P-C4' energy: -26.191
flat angles P-C4'-P energy: -21.064
tors. eta vs tors. theta energy: -19.339
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: 4
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -206.248220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.248220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.248220 (E_RNA)
where:
Base-Base interactions energy: -116.229
where: short stacking energy: -54.321
Base-Backbone interact. energy: -0.716
local terms energy: -89.303184
where:
bonds (distance) C4'-P energy: -23.635
bonds (distance) P-C4' energy: -26.595
flat angles C4'-P-C4' energy: -24.520
flat angles P-C4'-P energy: -12.790
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: 9, replica: 8
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -207.774258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.774258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.774258 (E_RNA)
where:
Base-Base interactions energy: -117.279
where: short stacking energy: -59.323
Base-Backbone interact. energy: -0.820
local terms energy: -89.675226
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -30.246
flat angles C4'-P-C4' energy: -20.296
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -4.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -140.118498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.118498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.118498 (E_RNA)
where:
Base-Base interactions energy: -60.169
where: short stacking energy: -50.182
Base-Backbone interact. energy: -0.724
local terms energy: -79.225722
where:
bonds (distance) C4'-P energy: -20.680
bonds (distance) P-C4' energy: -21.719
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -17.046
tors. eta vs tors. theta energy: -0.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -515.098982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.098982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.098982 (E_RNA)
where:
Base-Base interactions energy: -367.154
where: short stacking energy: -152.476
Base-Backbone interact. energy: -0.005
local terms energy: -147.939826
where:
bonds (distance) C4'-P energy: -28.690
bonds (distance) P-C4' energy: -23.942
flat angles C4'-P-C4' energy: -28.199
flat angles P-C4'-P energy: -21.592
tors. eta vs tors. theta energy: -45.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -486.517986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.517986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.517986 (E_RNA)
where:
Base-Base interactions energy: -339.363
where: short stacking energy: -147.076
Base-Backbone interact. energy: -0.216
local terms energy: -146.939030
where:
bonds (distance) C4'-P energy: -23.143
bonds (distance) P-C4' energy: -25.669
flat angles C4'-P-C4' energy: -32.960
flat angles P-C4'-P energy: -24.807
tors. eta vs tors. theta energy: -40.359
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: 10
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -458.331080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.331080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.331080 (E_RNA)
where:
Base-Base interactions energy: -316.798
where: short stacking energy: -136.173
Base-Backbone interact. energy: -0.485
local terms energy: -141.048594
where:
bonds (distance) C4'-P energy: -31.430
bonds (distance) P-C4' energy: -26.190
flat angles C4'-P-C4' energy: -30.205
flat angles P-C4'-P energy: -20.015
tors. eta vs tors. theta energy: -33.209
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: 1
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -442.591586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.591586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.591586 (E_RNA)
where:
Base-Base interactions energy: -321.657
where: short stacking energy: -138.593
Base-Backbone interact. energy: 0.509
local terms energy: -121.443938
where:
bonds (distance) C4'-P energy: -21.390
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -21.898
tors. eta vs tors. theta energy: -33.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -447.087407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.087407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.087407 (E_RNA)
where:
Base-Base interactions energy: -302.643
where: short stacking energy: -137.069
Base-Backbone interact. energy: -0.748
local terms energy: -143.697022
where:
bonds (distance) C4'-P energy: -20.891
bonds (distance) P-C4' energy: -25.119
flat angles C4'-P-C4' energy: -32.628
flat angles P-C4'-P energy: -22.881
tors. eta vs tors. theta energy: -42.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -437.868611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.868611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.868611 (E_RNA)
where:
Base-Base interactions energy: -302.592
where: short stacking energy: -138.520
Base-Backbone interact. energy: 0.279
local terms energy: -135.555552
where:
bonds (distance) C4'-P energy: -23.870
bonds (distance) P-C4' energy: -28.902
flat angles C4'-P-C4' energy: -22.627
flat angles P-C4'-P energy: -22.762
tors. eta vs tors. theta energy: -37.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -334.936897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.936897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.936897 (E_RNA)
where:
Base-Base interactions energy: -225.722
where: short stacking energy: -97.497
Base-Backbone interact. energy: -0.887
local terms energy: -108.327223
where:
bonds (distance) C4'-P energy: -19.311
bonds (distance) P-C4' energy: -24.498
flat angles C4'-P-C4' energy: -26.031
flat angles P-C4'-P energy: -14.163
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: 8, replica: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -211.443940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.443940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.443940 (E_RNA)
where:
Base-Base interactions energy: -118.450
where: short stacking energy: -63.053
Base-Backbone interact. energy: -0.675
local terms energy: -92.319691
where:
bonds (distance) C4'-P energy: -28.348
bonds (distance) P-C4' energy: -18.152
flat angles C4'-P-C4' energy: -20.868
flat angles P-C4'-P energy: -18.902
tors. eta vs tors. theta energy: -6.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -211.641265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.641265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.641265 (E_RNA)
where:
Base-Base interactions energy: -111.358
where: short stacking energy: -54.816
Base-Backbone interact. energy: 0.593
local terms energy: -100.876407
where:
bonds (distance) C4'-P energy: -26.616
bonds (distance) P-C4' energy: -28.615
flat angles C4'-P-C4' energy: -30.314
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -6.062
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: 7
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -170.562362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.562362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.562362 (E_RNA)
where:
Base-Base interactions energy: -89.071
where: short stacking energy: -61.633
Base-Backbone interact. energy: 0.252
local terms energy: -81.743491
where:
bonds (distance) C4'-P energy: -23.242
bonds (distance) P-C4' energy: -25.806
flat angles C4'-P-C4' energy: -23.727
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -1.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -534.686209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.686209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.686209 (E_RNA)
where:
Base-Base interactions energy: -373.614
where: short stacking energy: -147.387
Base-Backbone interact. energy: -0.281
local terms energy: -160.791257
where:
bonds (distance) C4'-P energy: -30.657
bonds (distance) P-C4' energy: -26.531
flat angles C4'-P-C4' energy: -33.500
flat angles P-C4'-P energy: -23.608
tors. eta vs tors. theta energy: -46.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -490.060490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.060490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.060490 (E_RNA)
where:
Base-Base interactions energy: -331.136
where: short stacking energy: -141.398
Base-Backbone interact. energy: -0.283
local terms energy: -158.641282
where:
bonds (distance) C4'-P energy: -28.163
bonds (distance) P-C4' energy: -34.084
flat angles C4'-P-C4' energy: -34.485
flat angles P-C4'-P energy: -21.316
tors. eta vs tors. theta energy: -40.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -461.168606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.168606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.168606 (E_RNA)
where:
Base-Base interactions energy: -322.025
where: short stacking energy: -131.927
Base-Backbone interact. energy: 0.292
local terms energy: -139.435753
where:
bonds (distance) C4'-P energy: -28.254
bonds (distance) P-C4' energy: -28.235
flat angles C4'-P-C4' energy: -26.509
flat angles P-C4'-P energy: -22.493
tors. eta vs tors. theta energy: -33.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -438.909454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.909454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.909454 (E_RNA)
where:
Base-Base interactions energy: -284.103
where: short stacking energy: -133.770
Base-Backbone interact. energy: -0.121
local terms energy: -154.685673
where:
bonds (distance) C4'-P energy: -31.691
bonds (distance) P-C4' energy: -25.030
flat angles C4'-P-C4' energy: -33.462
flat angles P-C4'-P energy: -21.205
tors. eta vs tors. theta energy: -43.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -433.425324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.425324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.425324 (E_RNA)
where:
Base-Base interactions energy: -301.325
where: short stacking energy: -130.944
Base-Backbone interact. energy: -1.988
local terms energy: -130.112880
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -30.578
flat angles C4'-P-C4' energy: -25.189
flat angles P-C4'-P energy: -19.675
tors. eta vs tors. theta energy: -34.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -443.102802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.102802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.102802 (E_RNA)
where:
Base-Base interactions energy: -314.026
where: short stacking energy: -133.159
Base-Backbone interact. energy: -0.980
local terms energy: -128.096958
where:
bonds (distance) C4'-P energy: -23.709
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -26.411
flat angles P-C4'-P energy: -20.969
tors. eta vs tors. theta energy: -35.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -356.474178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.474178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.474178 (E_RNA)
where:
Base-Base interactions energy: -227.505
where: short stacking energy: -103.672
Base-Backbone interact. energy: -0.003
local terms energy: -128.966110
where:
bonds (distance) C4'-P energy: -23.897
bonds (distance) P-C4' energy: -27.089
flat angles C4'-P-C4' energy: -24.877
flat angles P-C4'-P energy: -21.480
tors. eta vs tors. theta energy: -31.623
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: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -255.926590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.926590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.926590 (E_RNA)
where:
Base-Base interactions energy: -150.901
where: short stacking energy: -76.891
Base-Backbone interact. energy: -0.161
local terms energy: -104.865090
where:
bonds (distance) C4'-P energy: -29.127
bonds (distance) P-C4' energy: -28.073
flat angles C4'-P-C4' energy: -18.890
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -12.922
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: 4
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -207.369777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.369777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.369777 (E_RNA)
where:
Base-Base interactions energy: -112.086
where: short stacking energy: -59.570
Base-Backbone interact. energy: 3.539
local terms energy: -98.822026
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -31.637
flat angles C4'-P-C4' energy: -25.585
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -7.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -174.071897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.071897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.071897 (E_RNA)
where:
Base-Base interactions energy: -87.559
where: short stacking energy: -57.250
Base-Backbone interact. energy: -0.132
local terms energy: -86.381647
where:
bonds (distance) C4'-P energy: -20.661
bonds (distance) P-C4' energy: -26.692
flat angles C4'-P-C4' energy: -24.743
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -6.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -495.150809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.150809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.150809 (E_RNA)
where:
Base-Base interactions energy: -349.894
where: short stacking energy: -147.986
Base-Backbone interact. energy: -0.024
local terms energy: -145.232772
where:
bonds (distance) C4'-P energy: -25.613
bonds (distance) P-C4' energy: -28.341
flat angles C4'-P-C4' energy: -30.821
flat angles P-C4'-P energy: -18.870
tors. eta vs tors. theta energy: -41.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -521.607622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.607622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.607622 (E_RNA)
where:
Base-Base interactions energy: -358.783
where: short stacking energy: -149.584
Base-Backbone interact. energy: -0.457
local terms energy: -162.367646
where:
bonds (distance) C4'-P energy: -27.348
bonds (distance) P-C4' energy: -31.961
flat angles C4'-P-C4' energy: -33.343
flat angles P-C4'-P energy: -23.149
tors. eta vs tors. theta energy: -46.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -451.179975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.179975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.179975 (E_RNA)
where:
Base-Base interactions energy: -307.982
where: short stacking energy: -128.246
Base-Backbone interact. energy: -0.139
local terms energy: -143.059284
where:
bonds (distance) C4'-P energy: -29.530
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -27.953
flat angles P-C4'-P energy: -22.449
tors. eta vs tors. theta energy: -36.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -457.750535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.750535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.750535 (E_RNA)
where:
Base-Base interactions energy: -322.196
where: short stacking energy: -137.055
Base-Backbone interact. energy: -0.020
local terms energy: -135.534726
where:
bonds (distance) C4'-P energy: -26.157
bonds (distance) P-C4' energy: -26.397
flat angles C4'-P-C4' energy: -24.200
flat angles P-C4'-P energy: -18.554
tors. eta vs tors. theta energy: -40.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -461.421413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.421413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.421413 (E_RNA)
where:
Base-Base interactions energy: -333.580
where: short stacking energy: -137.908
Base-Backbone interact. energy: -0.317
local terms energy: -127.524293
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -24.087
flat angles C4'-P-C4' energy: -31.209
flat angles P-C4'-P energy: -14.506
tors. eta vs tors. theta energy: -42.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -427.645375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.645375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.645375 (E_RNA)
where:
Base-Base interactions energy: -298.215
where: short stacking energy: -128.209
Base-Backbone interact. energy: -1.183
local terms energy: -128.248161
where:
bonds (distance) C4'-P energy: -22.257
bonds (distance) P-C4' energy: -23.120
flat angles C4'-P-C4' energy: -26.813
flat angles P-C4'-P energy: -21.013
tors. eta vs tors. theta energy: -35.044
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: 2
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -348.583954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.583954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.583954 (E_RNA)
where:
Base-Base interactions energy: -232.967
where: short stacking energy: -106.903
Base-Backbone interact. energy: -0.517
local terms energy: -115.099816
where:
bonds (distance) C4'-P energy: -23.282
bonds (distance) P-C4' energy: -23.788
flat angles C4'-P-C4' energy: -26.933
flat angles P-C4'-P energy: -15.509
tors. eta vs tors. theta energy: -25.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -364.913983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.913983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.913983 (E_RNA)
where:
Base-Base interactions energy: -257.236
where: short stacking energy: -111.882
Base-Backbone interact. energy: -0.369
local terms energy: -107.308950
where:
bonds (distance) C4'-P energy: -19.712
bonds (distance) P-C4' energy: -30.603
flat angles C4'-P-C4' energy: -22.148
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -23.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -156.044700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.044700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.044700 (E_RNA)
where:
Base-Base interactions energy: -81.466
where: short stacking energy: -50.190
Base-Backbone interact. energy: -0.130
local terms energy: -74.449043
where:
bonds (distance) C4'-P energy: -23.176
bonds (distance) P-C4' energy: -23.030
flat angles C4'-P-C4' energy: -21.546
flat angles P-C4'-P energy: -5.847
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: 4
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -195.589301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.589301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.589301 (E_RNA)
where:
Base-Base interactions energy: -106.576
where: short stacking energy: -49.277
Base-Backbone interact. energy: -0.351
local terms energy: -88.662199
where:
bonds (distance) C4'-P energy: -24.801
bonds (distance) P-C4' energy: -30.152
flat angles C4'-P-C4' energy: -23.468
flat angles P-C4'-P energy: -5.081
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: 1, replica: 9
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -496.392713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.392713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.392713 (E_RNA)
where:
Base-Base interactions energy: -344.605
where: short stacking energy: -145.908
Base-Backbone interact. energy: -0.086
local terms energy: -151.702285
where:
bonds (distance) C4'-P energy: -25.083
bonds (distance) P-C4' energy: -25.577
flat angles C4'-P-C4' energy: -36.810
flat angles P-C4'-P energy: -21.449
tors. eta vs tors. theta energy: -42.784
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: 5
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -516.888696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.888696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.888696 (E_RNA)
where:
Base-Base interactions energy: -369.989
where: short stacking energy: -152.785
Base-Backbone interact. energy: -0.247
local terms energy: -146.652121
where:
bonds (distance) C4'-P energy: -22.460
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -34.412
flat angles P-C4'-P energy: -17.935
tors. eta vs tors. theta energy: -51.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -453.107847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.107847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.107847 (E_RNA)
where:
Base-Base interactions energy: -310.067
where: short stacking energy: -138.476
Base-Backbone interact. energy: -0.010
local terms energy: -143.030642
where:
bonds (distance) C4'-P energy: -23.842
bonds (distance) P-C4' energy: -26.015
flat angles C4'-P-C4' energy: -33.519
flat angles P-C4'-P energy: -16.531
tors. eta vs tors. theta energy: -43.123
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: 3
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -476.903038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.903038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.903038 (E_RNA)
where:
Base-Base interactions energy: -334.720
where: short stacking energy: -141.529
Base-Backbone interact. energy: -0.122
local terms energy: -142.061521
where:
bonds (distance) C4'-P energy: -25.726
bonds (distance) P-C4' energy: -31.375
flat angles C4'-P-C4' energy: -25.502
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -43.897
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: 5, replica: 10
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -442.707984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.707984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.707984 (E_RNA)
where:
Base-Base interactions energy: -310.021
where: short stacking energy: -131.177
Base-Backbone interact. energy: -0.407
local terms energy: -132.280062
where:
bonds (distance) C4'-P energy: -18.916
bonds (distance) P-C4' energy: -31.261
flat angles C4'-P-C4' energy: -25.428
flat angles P-C4'-P energy: -19.527
tors. eta vs tors. theta energy: -37.149
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: 1
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -431.396173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.396173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.396173 (E_RNA)
where:
Base-Base interactions energy: -301.551
where: short stacking energy: -121.339
Base-Backbone interact. energy: -0.397
local terms energy: -129.448326
where:
bonds (distance) C4'-P energy: -25.826
bonds (distance) P-C4' energy: -29.059
flat angles C4'-P-C4' energy: -25.835
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -33.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -356.934202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.934202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.934202 (E_RNA)
where:
Base-Base interactions energy: -244.885
where: short stacking energy: -101.028
Base-Backbone interact. energy: -0.756
local terms energy: -111.293269
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -28.373
flat angles C4'-P-C4' energy: -24.358
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -24.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -362.489577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.489577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.489577 (E_RNA)
where:
Base-Base interactions energy: -263.403
where: short stacking energy: -109.435
Base-Backbone interact. energy: -0.599
local terms energy: -98.487842
where:
bonds (distance) C4'-P energy: -24.304
bonds (distance) P-C4' energy: -22.135
flat angles C4'-P-C4' energy: -27.365
flat angles P-C4'-P energy: -4.424
tors. eta vs tors. theta energy: -20.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -189.412554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.412554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.412554 (E_RNA)
where:
Base-Base interactions energy: -101.895
where: short stacking energy: -58.687
Base-Backbone interact. energy: 0.227
local terms energy: -87.744367
where:
bonds (distance) C4'-P energy: -21.759
bonds (distance) P-C4' energy: -28.334
flat angles C4'-P-C4' energy: -22.545
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -3.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -186.120864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.120864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.120864 (E_RNA)
where:
Base-Base interactions energy: -93.287
where: short stacking energy: -50.440
Base-Backbone interact. energy: -0.245
local terms energy: -92.588757
where:
bonds (distance) C4'-P energy: -27.858
bonds (distance) P-C4' energy: -24.878
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -14.444
tors. eta vs tors. theta energy: -5.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -535.832815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.832815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.832815 (E_RNA)
where:
Base-Base interactions energy: -379.495
where: short stacking energy: -154.362
Base-Backbone interact. energy: -0.040
local terms energy: -156.298623
where:
bonds (distance) C4'-P energy: -27.734
bonds (distance) P-C4' energy: -30.264
flat angles C4'-P-C4' energy: -32.722
flat angles P-C4'-P energy: -22.331
tors. eta vs tors. theta energy: -43.247
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: 2, replica: 9
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -490.901200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.901200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.901200 (E_RNA)
where:
Base-Base interactions energy: -336.191
where: short stacking energy: -133.559
Base-Backbone interact. energy: 0.010
local terms energy: -154.719867
where:
bonds (distance) C4'-P energy: -32.195
bonds (distance) P-C4' energy: -28.384
flat angles C4'-P-C4' energy: -34.491
flat angles P-C4'-P energy: -24.838
tors. eta vs tors. theta energy: -34.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -462.645151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.645151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.645151 (E_RNA)
where:
Base-Base interactions energy: -313.682
where: short stacking energy: -143.090
Base-Backbone interact. energy: -0.109
local terms energy: -148.854744
where:
bonds (distance) C4'-P energy: -26.189
bonds (distance) P-C4' energy: -24.451
flat angles C4'-P-C4' energy: -32.890
flat angles P-C4'-P energy: -20.295
tors. eta vs tors. theta energy: -45.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -464.268787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.268787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.268787 (E_RNA)
where:
Base-Base interactions energy: -311.628
where: short stacking energy: -131.043
Base-Backbone interact. energy: -0.072
local terms energy: -152.568580
where:
bonds (distance) C4'-P energy: -31.145
bonds (distance) P-C4' energy: -31.147
flat angles C4'-P-C4' energy: -28.445
flat angles P-C4'-P energy: -23.796
tors. eta vs tors. theta energy: -38.036
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: 206
Temperature: 1.100000
Total energy: -459.133846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.133846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.133846 (E_RNA)
where:
Base-Base interactions energy: -317.766
where: short stacking energy: -129.779
Base-Backbone interact. energy: -0.444
local terms energy: -140.923884
where:
bonds (distance) C4'-P energy: -22.668
bonds (distance) P-C4' energy: -28.745
flat angles C4'-P-C4' energy: -33.454
flat angles P-C4'-P energy: -22.107
tors. eta vs tors. theta energy: -33.949
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: 1
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -429.996935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.996935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.996935 (E_RNA)
where:
Base-Base interactions energy: -302.298
where: short stacking energy: -130.620
Base-Backbone interact. energy: -0.225
local terms energy: -127.473714
where:
bonds (distance) C4'-P energy: -20.479
bonds (distance) P-C4' energy: -28.432
flat angles C4'-P-C4' energy: -27.674
flat angles P-C4'-P energy: -18.791
tors. eta vs tors. theta energy: -32.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -395.821121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.821121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.821121 (E_RNA)
where:
Base-Base interactions energy: -278.936
where: short stacking energy: -113.459
Base-Backbone interact. energy: -0.256
local terms energy: -116.628606
where:
bonds (distance) C4'-P energy: -20.715
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -28.185
flat angles P-C4'-P energy: -17.258
tors. eta vs tors. theta energy: -29.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -340.690820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.690820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.690820 (E_RNA)
where:
Base-Base interactions energy: -225.963
where: short stacking energy: -98.148
Base-Backbone interact. energy: 0.095
local terms energy: -114.822385
where:
bonds (distance) C4'-P energy: -29.711
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -23.969
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -25.650
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: 9, replica: 4
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -207.814710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.814710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.814710 (E_RNA)
where:
Base-Base interactions energy: -118.758
where: short stacking energy: -69.039
Base-Backbone interact. energy: -0.162
local terms energy: -88.895078
where:
bonds (distance) C4'-P energy: -22.673
bonds (distance) P-C4' energy: -27.748
flat angles C4'-P-C4' energy: -18.998
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -5.727
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: 7
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -168.832485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.832485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.832485 (E_RNA)
where:
Base-Base interactions energy: -96.134
where: short stacking energy: -54.182
Base-Backbone interact. energy: -0.397
local terms energy: -72.301535
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -23.833
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -538.389646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.389646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.389646 (E_RNA)
where:
Base-Base interactions energy: -375.498
where: short stacking energy: -161.416
Base-Backbone interact. energy: -0.001
local terms energy: -162.891318
where:
bonds (distance) C4'-P energy: -33.118
bonds (distance) P-C4' energy: -30.513
flat angles C4'-P-C4' energy: -34.351
flat angles P-C4'-P energy: -16.579
tors. eta vs tors. theta energy: -48.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -486.365952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.365952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.365952 (E_RNA)
where:
Base-Base interactions energy: -329.914
where: short stacking energy: -147.602
Base-Backbone interact. energy: -0.080
local terms energy: -156.371708
where:
bonds (distance) C4'-P energy: -26.612
bonds (distance) P-C4' energy: -27.819
flat angles C4'-P-C4' energy: -32.243
flat angles P-C4'-P energy: -22.538
tors. eta vs tors. theta energy: -47.160
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: 207
Temperature: 1.000000
Total energy: -480.030076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.030076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.030076 (E_RNA)
where:
Base-Base interactions energy: -337.649
where: short stacking energy: -153.872
Base-Backbone interact. energy: -0.430
local terms energy: -141.950988
where:
bonds (distance) C4'-P energy: -24.963
bonds (distance) P-C4' energy: -23.635
flat angles C4'-P-C4' energy: -32.096
flat angles P-C4'-P energy: -19.517
tors. eta vs tors. theta energy: -41.740
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: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -471.856337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.856337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.856337 (E_RNA)
where:
Base-Base interactions energy: -337.033
where: short stacking energy: -146.147
Base-Backbone interact. energy: -0.726
local terms energy: -134.097867
where:
bonds (distance) C4'-P energy: -27.892
bonds (distance) P-C4' energy: -22.535
flat angles C4'-P-C4' energy: -26.822
flat angles P-C4'-P energy: -19.042
tors. eta vs tors. theta energy: -37.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -443.716741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.716741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.716741 (E_RNA)
where:
Base-Base interactions energy: -296.802
where: short stacking energy: -127.228
Base-Backbone interact. energy: -0.494
local terms energy: -146.421245
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -26.706
flat angles C4'-P-C4' energy: -34.020
flat angles P-C4'-P energy: -24.692
tors. eta vs tors. theta energy: -38.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -417.779122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.779122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.779122 (E_RNA)
where:
Base-Base interactions energy: -295.461
where: short stacking energy: -124.723
Base-Backbone interact. energy: -1.038
local terms energy: -121.280832
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -22.273
flat angles C4'-P-C4' energy: -31.392
flat angles P-C4'-P energy: -15.419
tors. eta vs tors. theta energy: -31.051
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: 7, replica: 1
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -436.094342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.094342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.094342 (E_RNA)
where:
Base-Base interactions energy: -308.659
where: short stacking energy: -127.278
Base-Backbone interact. energy: 0.024
local terms energy: -127.459426
where:
bonds (distance) C4'-P energy: -24.575
bonds (distance) P-C4' energy: -24.716
flat angles C4'-P-C4' energy: -25.367
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: -38.628
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: 2
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -342.256069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.256069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.256069 (E_RNA)
where:
Base-Base interactions energy: -220.526
where: short stacking energy: -99.206
Base-Backbone interact. energy: -0.557
local terms energy: -121.173099
where:
bonds (distance) C4'-P energy: -24.943
bonds (distance) P-C4' energy: -29.892
flat angles C4'-P-C4' energy: -27.012
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -24.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -193.006245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.006245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.006245 (E_RNA)
where:
Base-Base interactions energy: -106.814
where: short stacking energy: -62.781
Base-Backbone interact. energy: -0.421
local terms energy: -85.771962
where:
bonds (distance) C4'-P energy: -27.898
bonds (distance) P-C4' energy: -24.279
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -14.485
tors. eta vs tors. theta energy: -7.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -133.159052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.159052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.159052 (E_RNA)
where:
Base-Base interactions energy: -62.585
where: short stacking energy: -43.475
Base-Backbone interact. energy: -0.011
local terms energy: -70.562981
where:
bonds (distance) C4'-P energy: -18.423
bonds (distance) P-C4' energy: -24.261
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -1.017
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: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -530.568901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.568901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.568901 (E_RNA)
where:
Base-Base interactions energy: -373.538
where: short stacking energy: -149.670
Base-Backbone interact. energy: -0.385
local terms energy: -156.646210
where:
bonds (distance) C4'-P energy: -33.058
bonds (distance) P-C4' energy: -29.722
flat angles C4'-P-C4' energy: -29.746
flat angles P-C4'-P energy: -21.297
tors. eta vs tors. theta energy: -42.823
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: 2, replica: 6
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -487.048683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.048683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.048683 (E_RNA)
where:
Base-Base interactions energy: -333.477
where: short stacking energy: -152.336
Base-Backbone interact. energy: -0.166
local terms energy: -153.405908
where:
bonds (distance) C4'-P energy: -28.053
bonds (distance) P-C4' energy: -26.942
flat angles C4'-P-C4' energy: -30.862
flat angles P-C4'-P energy: -23.444
tors. eta vs tors. theta energy: -44.104
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: 9
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -483.502125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.502125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.502125 (E_RNA)
where:
Base-Base interactions energy: -330.892
where: short stacking energy: -148.025
Base-Backbone interact. energy: -0.150
local terms energy: -152.459656
where:
bonds (distance) C4'-P energy: -28.001
bonds (distance) P-C4' energy: -31.686
flat angles C4'-P-C4' energy: -30.289
flat angles P-C4'-P energy: -22.553
tors. eta vs tors. theta energy: -39.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -459.302617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.302617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.302617 (E_RNA)
where:
Base-Base interactions energy: -309.881
where: short stacking energy: -136.437
Base-Backbone interact. energy: -0.659
local terms energy: -148.762679
where:
bonds (distance) C4'-P energy: -23.602
bonds (distance) P-C4' energy: -28.480
flat angles C4'-P-C4' energy: -34.483
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -44.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -436.252682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.252682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.252682 (E_RNA)
where:
Base-Base interactions energy: -305.805
where: short stacking energy: -132.402
Base-Backbone interact. energy: -0.254
local terms energy: -130.193611
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -26.166
flat angles C4'-P-C4' energy: -28.877
flat angles P-C4'-P energy: -21.302
tors. eta vs tors. theta energy: -37.222
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: 8
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -393.458151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.458151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.458151 (E_RNA)
where:
Base-Base interactions energy: -270.253
where: short stacking energy: -109.471
Base-Backbone interact. energy: -0.155
local terms energy: -123.049830
where:
bonds (distance) C4'-P energy: -20.961
bonds (distance) P-C4' energy: -26.078
flat angles C4'-P-C4' energy: -29.690
flat angles P-C4'-P energy: -19.170
tors. eta vs tors. theta energy: -27.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -417.171790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.171790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.171790 (E_RNA)
where:
Base-Base interactions energy: -293.484
where: short stacking energy: -113.218
Base-Backbone interact. energy: -0.328
local terms energy: -123.360024
where:
bonds (distance) C4'-P energy: -23.591
bonds (distance) P-C4' energy: -26.893
flat angles C4'-P-C4' energy: -24.914
flat angles P-C4'-P energy: -20.790
tors. eta vs tors. theta energy: -27.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -345.891397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.891397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.891397 (E_RNA)
where:
Base-Base interactions energy: -220.591
where: short stacking energy: -100.184
Base-Backbone interact. energy: -0.282
local terms energy: -125.018316
where:
bonds (distance) C4'-P energy: -22.624
bonds (distance) P-C4' energy: -26.052
flat angles C4'-P-C4' energy: -27.417
flat angles P-C4'-P energy: -23.823
tors. eta vs tors. theta energy: -25.102
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: 4
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -185.957898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.957898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.957898 (E_RNA)
where:
Base-Base interactions energy: -94.127
where: short stacking energy: -48.238
Base-Backbone interact. energy: -0.658
local terms energy: -91.172637
where:
bonds (distance) C4'-P energy: -26.988
bonds (distance) P-C4' energy: -21.984
flat angles C4'-P-C4' energy: -28.072
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -2.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -152.692995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.692995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.692995 (E_RNA)
where:
Base-Base interactions energy: -69.764
where: short stacking energy: -49.420
Base-Backbone interact. energy: 1.174
local terms energy: -84.103448
where:
bonds (distance) C4'-P energy: -31.959
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -20.079
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -5.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -534.629201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.629201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.629201 (E_RNA)
where:
Base-Base interactions energy: -379.386
where: short stacking energy: -158.281
Base-Backbone interact. energy: -0.609
local terms energy: -154.634274
where:
bonds (distance) C4'-P energy: -22.689
bonds (distance) P-C4' energy: -28.126
flat angles C4'-P-C4' energy: -33.996
flat angles P-C4'-P energy: -23.486
tors. eta vs tors. theta energy: -46.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -487.672078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.672078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.672078 (E_RNA)
where:
Base-Base interactions energy: -333.909
where: short stacking energy: -147.045
Base-Backbone interact. energy: 0.430
local terms energy: -154.193173
where:
bonds (distance) C4'-P energy: -27.337
bonds (distance) P-C4' energy: -32.341
flat angles C4'-P-C4' energy: -27.990
flat angles P-C4'-P energy: -25.942
tors. eta vs tors. theta energy: -40.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -474.823475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.823475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.823475 (E_RNA)
where:
Base-Base interactions energy: -326.606
where: short stacking energy: -146.416
Base-Backbone interact. energy: -0.466
local terms energy: -147.751530
where:
bonds (distance) C4'-P energy: -25.192
bonds (distance) P-C4' energy: -29.111
flat angles C4'-P-C4' energy: -31.307
flat angles P-C4'-P energy: -19.903
tors. eta vs tors. theta energy: -42.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -490.722045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.722045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.722045 (E_RNA)
where:
Base-Base interactions energy: -329.002
where: short stacking energy: -134.673
Base-Backbone interact. energy: -0.448
local terms energy: -161.272173
where:
bonds (distance) C4'-P energy: -29.755
bonds (distance) P-C4' energy: -32.680
flat angles C4'-P-C4' energy: -30.850
flat angles P-C4'-P energy: -22.870
tors. eta vs tors. theta energy: -45.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -462.355403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.355403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.355403 (E_RNA)
where:
Base-Base interactions energy: -316.595
where: short stacking energy: -139.730
Base-Backbone interact. energy: -0.668
local terms energy: -145.093024
where:
bonds (distance) C4'-P energy: -25.734
bonds (distance) P-C4' energy: -27.746
flat angles C4'-P-C4' energy: -24.427
flat angles P-C4'-P energy: -25.910
tors. eta vs tors. theta energy: -41.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -431.909800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.909800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.909800 (E_RNA)
where:
Base-Base interactions energy: -302.982
where: short stacking energy: -124.289
Base-Backbone interact. energy: -1.211
local terms energy: -127.716669
where:
bonds (distance) C4'-P energy: -23.576
bonds (distance) P-C4' energy: -23.681
flat angles C4'-P-C4' energy: -27.117
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -35.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -378.912131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.912131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.912131 (E_RNA)
where:
Base-Base interactions energy: -262.985
where: short stacking energy: -111.436
Base-Backbone interact. energy: -0.292
local terms energy: -115.635623
where:
bonds (distance) C4'-P energy: -29.697
bonds (distance) P-C4' energy: -19.276
flat angles C4'-P-C4' energy: -25.481
flat angles P-C4'-P energy: -21.790
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -309.852663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.852663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.852663 (E_RNA)
where:
Base-Base interactions energy: -204.740
where: short stacking energy: -97.950
Base-Backbone interact. energy: -0.871
local terms energy: -104.242263
where:
bonds (distance) C4'-P energy: -25.624
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -22.428
flat angles P-C4'-P energy: -15.373
tors. eta vs tors. theta energy: -21.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -205.035318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.035318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.035318 (E_RNA)
where:
Base-Base interactions energy: -118.964
where: short stacking energy: -61.716
Base-Backbone interact. energy: 0.277
local terms energy: -86.347438
where:
bonds (distance) C4'-P energy: -20.138
bonds (distance) P-C4' energy: -25.362
flat angles C4'-P-C4' energy: -20.563
flat angles P-C4'-P energy: -12.910
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: 10, replica: 7
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -139.035660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.035660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.035660 (E_RNA)
where:
Base-Base interactions energy: -43.885
where: short stacking energy: -38.128
Base-Backbone interact. energy: -0.222
local terms energy: -94.928646
where:
bonds (distance) C4'-P energy: -30.752
bonds (distance) P-C4' energy: -25.444
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -18.943
tors. eta vs tors. theta energy: -2.227
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: 5
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -523.887667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.887667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.887667 (E_RNA)
where:
Base-Base interactions energy: -371.191
where: short stacking energy: -148.620
Base-Backbone interact. energy: -0.315
local terms energy: -152.381661
where:
bonds (distance) C4'-P energy: -25.010
bonds (distance) P-C4' energy: -30.668
flat angles C4'-P-C4' energy: -31.281
flat angles P-C4'-P energy: -19.446
tors. eta vs tors. theta energy: -45.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -501.327984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.327984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.327984 (E_RNA)
where:
Base-Base interactions energy: -356.906
where: short stacking energy: -156.956
Base-Backbone interact. energy: -0.344
local terms energy: -144.078733
where:
bonds (distance) C4'-P energy: -27.390
bonds (distance) P-C4' energy: -24.034
flat angles C4'-P-C4' energy: -30.312
flat angles P-C4'-P energy: -20.615
tors. eta vs tors. theta energy: -41.729
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: 6
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -466.960830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.960830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.960830 (E_RNA)
where:
Base-Base interactions energy: -321.374
where: short stacking energy: -133.400
Base-Backbone interact. energy: -0.328
local terms energy: -145.258298
where:
bonds (distance) C4'-P energy: -23.751
bonds (distance) P-C4' energy: -30.070
flat angles C4'-P-C4' energy: -32.418
flat angles P-C4'-P energy: -19.554
tors. eta vs tors. theta energy: -39.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -464.074222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.074222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.074222 (E_RNA)
where:
Base-Base interactions energy: -311.509
where: short stacking energy: -148.238
Base-Backbone interact. energy: -0.000
local terms energy: -152.564431
where:
bonds (distance) C4'-P energy: -25.020
bonds (distance) P-C4' energy: -27.314
flat angles C4'-P-C4' energy: -33.327
flat angles P-C4'-P energy: -20.183
tors. eta vs tors. theta energy: -46.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -461.217942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.217942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.217942 (E_RNA)
where:
Base-Base interactions energy: -322.373
where: short stacking energy: -139.550
Base-Backbone interact. energy: -0.323
local terms energy: -138.522070
where:
bonds (distance) C4'-P energy: -25.440
bonds (distance) P-C4' energy: -19.479
flat angles C4'-P-C4' energy: -32.688
flat angles P-C4'-P energy: -19.963
tors. eta vs tors. theta energy: -40.953
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: 210
Temperature: 1.150000
Total energy: -411.344494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.344494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.344494 (E_RNA)
where:
Base-Base interactions energy: -283.495
where: short stacking energy: -124.234
Base-Backbone interact. energy: -0.422
local terms energy: -127.427903
where:
bonds (distance) C4'-P energy: -28.006
bonds (distance) P-C4' energy: -20.260
flat angles C4'-P-C4' energy: -32.872
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -31.584
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: 8
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -384.160657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.160657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.160657 (E_RNA)
where:
Base-Base interactions energy: -253.010
where: short stacking energy: -96.335
Base-Backbone interact. energy: -0.023
local terms energy: -131.127387
where:
bonds (distance) C4'-P energy: -25.469
bonds (distance) P-C4' energy: -31.361
flat angles C4'-P-C4' energy: -26.365
flat angles P-C4'-P energy: -23.628
tors. eta vs tors. theta energy: -24.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -316.946845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.946845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.946845 (E_RNA)
where:
Base-Base interactions energy: -209.088
where: short stacking energy: -97.670
Base-Backbone interact. energy: -1.159
local terms energy: -106.699952
where:
bonds (distance) C4'-P energy: -17.318
bonds (distance) P-C4' energy: -29.796
flat angles C4'-P-C4' energy: -25.585
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -18.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -205.820326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.820326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.820326 (E_RNA)
where:
Base-Base interactions energy: -110.288
where: short stacking energy: -54.145
Base-Backbone interact. energy: -1.808
local terms energy: -93.724920
where:
bonds (distance) C4'-P energy: -27.278
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -30.730
flat angles P-C4'-P energy: -12.951
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: 7
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -133.580203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.580203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.580203 (E_RNA)
where:
Base-Base interactions energy: -49.698
where: short stacking energy: -42.706
Base-Backbone interact. energy: -0.085
local terms energy: -83.796965
where:
bonds (distance) C4'-P energy: -30.134
bonds (distance) P-C4' energy: -28.131
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -16.308
tors. eta vs tors. theta energy: 7.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -528.665817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.665817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.665817 (E_RNA)
where:
Base-Base interactions energy: -384.571
where: short stacking energy: -150.004
Base-Backbone interact. energy: -0.014
local terms energy: -144.080488
where:
bonds (distance) C4'-P energy: -27.415
bonds (distance) P-C4' energy: -30.403
flat angles C4'-P-C4' energy: -25.709
flat angles P-C4'-P energy: -18.182
tors. eta vs tors. theta energy: -42.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -507.425148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.425148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.425148 (E_RNA)
where:
Base-Base interactions energy: -356.346
where: short stacking energy: -152.107
Base-Backbone interact. energy: -0.625
local terms energy: -150.453264
where:
bonds (distance) C4'-P energy: -24.759
bonds (distance) P-C4' energy: -31.003
flat angles C4'-P-C4' energy: -33.665
flat angles P-C4'-P energy: -19.041
tors. eta vs tors. theta energy: -41.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -465.742169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.742169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.742169 (E_RNA)
where:
Base-Base interactions energy: -323.485
where: short stacking energy: -136.606
Base-Backbone interact. energy: -0.560
local terms energy: -141.697002
where:
bonds (distance) C4'-P energy: -26.630
bonds (distance) P-C4' energy: -26.501
flat angles C4'-P-C4' energy: -26.576
flat angles P-C4'-P energy: -24.473
tors. eta vs tors. theta energy: -37.517
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: 10
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -460.152004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.152004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.152004 (E_RNA)
where:
Base-Base interactions energy: -318.885
where: short stacking energy: -133.497
Base-Backbone interact. energy: 0.329
local terms energy: -141.595897
where:
bonds (distance) C4'-P energy: -24.412
bonds (distance) P-C4' energy: -25.765
flat angles C4'-P-C4' energy: -32.325
flat angles P-C4'-P energy: -19.692
tors. eta vs tors. theta energy: -39.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -452.730435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.730435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.730435 (E_RNA)
where:
Base-Base interactions energy: -300.950
where: short stacking energy: -136.849
Base-Backbone interact. energy: -0.473
local terms energy: -151.308031
where:
bonds (distance) C4'-P energy: -30.480
bonds (distance) P-C4' energy: -23.545
flat angles C4'-P-C4' energy: -30.728
flat angles P-C4'-P energy: -23.735
tors. eta vs tors. theta energy: -42.820
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: 8
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -409.897286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.897286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.897286 (E_RNA)
where:
Base-Base interactions energy: -284.893
where: short stacking energy: -117.707
Base-Backbone interact. energy: -0.218
local terms energy: -124.785783
where:
bonds (distance) C4'-P energy: -25.776
bonds (distance) P-C4' energy: -26.714
flat angles C4'-P-C4' energy: -29.302
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: -28.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -413.516739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.516739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.516739 (E_RNA)
where:
Base-Base interactions energy: -287.305
where: short stacking energy: -117.973
Base-Backbone interact. energy: 0.482
local terms energy: -126.694069
where:
bonds (distance) C4'-P energy: -23.299
bonds (distance) P-C4' energy: -31.003
flat angles C4'-P-C4' energy: -27.016
flat angles P-C4'-P energy: -15.789
tors. eta vs tors. theta energy: -29.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -331.225621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.225621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.225621 (E_RNA)
where:
Base-Base interactions energy: -215.707
where: short stacking energy: -94.869
Base-Backbone interact. energy: 0.758
local terms energy: -116.276864
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -26.599
flat angles C4'-P-C4' energy: -28.434
flat angles P-C4'-P energy: -18.748
tors. eta vs tors. theta energy: -24.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -209.879781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.879781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.879781 (E_RNA)
where:
Base-Base interactions energy: -116.141
where: short stacking energy: -63.141
Base-Backbone interact. energy: -0.223
local terms energy: -93.515882
where:
bonds (distance) C4'-P energy: -23.698
bonds (distance) P-C4' energy: -25.168
flat angles C4'-P-C4' energy: -26.150
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -7.595
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: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -132.263169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.263169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.263169 (E_RNA)
where:
Base-Base interactions energy: -40.990
where: short stacking energy: -40.990
Base-Backbone interact. energy: 0.236
local terms energy: -91.509178
where:
bonds (distance) C4'-P energy: -24.623
bonds (distance) P-C4' energy: -32.639
flat angles C4'-P-C4' energy: -21.258
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -0.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -528.526618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.526618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.526618 (E_RNA)
where:
Base-Base interactions energy: -363.021
where: short stacking energy: -160.694
Base-Backbone interact. energy: -0.240
local terms energy: -165.266152
where:
bonds (distance) C4'-P energy: -31.541
bonds (distance) P-C4' energy: -30.782
flat angles C4'-P-C4' energy: -33.746
flat angles P-C4'-P energy: -21.199
tors. eta vs tors. theta energy: -47.998
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: 9
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -502.531289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.531289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.531289 (E_RNA)
where:
Base-Base interactions energy: -352.118
where: short stacking energy: -147.821
Base-Backbone interact. energy: 0.364
local terms energy: -150.777462
where:
bonds (distance) C4'-P energy: -29.017
bonds (distance) P-C4' energy: -27.546
flat angles C4'-P-C4' energy: -30.456
flat angles P-C4'-P energy: -21.260
tors. eta vs tors. theta energy: -42.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -471.533817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.533817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.533817 (E_RNA)
where:
Base-Base interactions energy: -322.487
where: short stacking energy: -143.957
Base-Backbone interact. energy: -0.851
local terms energy: -148.195628
where:
bonds (distance) C4'-P energy: -27.741
bonds (distance) P-C4' energy: -28.044
flat angles C4'-P-C4' energy: -31.034
flat angles P-C4'-P energy: -20.555
tors. eta vs tors. theta energy: -40.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -449.335739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.335739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.335739 (E_RNA)
where:
Base-Base interactions energy: -311.354
where: short stacking energy: -136.435
Base-Backbone interact. energy: -0.570
local terms energy: -137.411847
where:
bonds (distance) C4'-P energy: -28.073
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -28.740
flat angles P-C4'-P energy: -17.076
tors. eta vs tors. theta energy: -42.979
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: 8
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -423.047783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.047783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.047783 (E_RNA)
where:
Base-Base interactions energy: -296.724
where: short stacking energy: -116.804
Base-Backbone interact. energy: -0.795
local terms energy: -125.528962
where:
bonds (distance) C4'-P energy: -26.848
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -30.757
flat angles P-C4'-P energy: -19.758
tors. eta vs tors. theta energy: -28.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -422.304817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.304817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.304817 (E_RNA)
where:
Base-Base interactions energy: -295.815
where: short stacking energy: -132.267
Base-Backbone interact. energy: -0.355
local terms energy: -126.134478
where:
bonds (distance) C4'-P energy: -7.651
bonds (distance) P-C4' energy: -27.157
flat angles C4'-P-C4' energy: -27.079
flat angles P-C4'-P energy: -25.555
tors. eta vs tors. theta energy: -38.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -414.612003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.612003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.612003 (E_RNA)
where:
Base-Base interactions energy: -287.468
where: short stacking energy: -123.626
Base-Backbone interact. energy: -1.732
local terms energy: -125.411802
where:
bonds (distance) C4'-P energy: -20.953
bonds (distance) P-C4' energy: -27.056
flat angles C4'-P-C4' energy: -30.232
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -33.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -314.452340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.452340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.452340 (E_RNA)
where:
Base-Base interactions energy: -207.831
where: short stacking energy: -85.115
Base-Backbone interact. energy: -0.231
local terms energy: -106.390750
where:
bonds (distance) C4'-P energy: -27.185
bonds (distance) P-C4' energy: -26.407
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -17.862
tors. eta vs tors. theta energy: -16.114
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: 9, replica: 4
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -206.043083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.043083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.043083 (E_RNA)
where:
Base-Base interactions energy: -110.343
where: short stacking energy: -59.317
Base-Backbone interact. energy: -0.250
local terms energy: -95.450466
where:
bonds (distance) C4'-P energy: -22.822
bonds (distance) P-C4' energy: -29.010
flat angles C4'-P-C4' energy: -22.998
flat angles P-C4'-P energy: -10.314
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: 10, replica: 7
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -133.260467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.260467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.260467 (E_RNA)
where:
Base-Base interactions energy: -46.107
where: short stacking energy: -45.313
Base-Backbone interact. energy: -0.300
local terms energy: -86.853293
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -28.533
flat angles C4'-P-C4' energy: -26.827
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: 2.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -518.468086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.468086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.468086 (E_RNA)
where:
Base-Base interactions energy: -361.832
where: short stacking energy: -157.589
Base-Backbone interact. energy: -0.101
local terms energy: -156.534786
where:
bonds (distance) C4'-P energy: -28.926
bonds (distance) P-C4' energy: -29.228
flat angles C4'-P-C4' energy: -30.464
flat angles P-C4'-P energy: -19.910
tors. eta vs tors. theta energy: -48.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -473.087881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.087881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.087881 (E_RNA)
where:
Base-Base interactions energy: -328.578
where: short stacking energy: -144.039
Base-Backbone interact. energy: -1.087
local terms energy: -143.423237
where:
bonds (distance) C4'-P energy: -23.873
bonds (distance) P-C4' energy: -29.856
flat angles C4'-P-C4' energy: -31.195
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -42.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -492.549412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.549412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.549412 (E_RNA)
where:
Base-Base interactions energy: -341.802
where: short stacking energy: -146.623
Base-Backbone interact. energy: -0.074
local terms energy: -150.673303
where:
bonds (distance) C4'-P energy: -25.114
bonds (distance) P-C4' energy: -28.268
flat angles C4'-P-C4' energy: -32.382
flat angles P-C4'-P energy: -22.034
tors. eta vs tors. theta energy: -42.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -467.212611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.212611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.212611 (E_RNA)
where:
Base-Base interactions energy: -315.014
where: short stacking energy: -126.518
Base-Backbone interact. energy: -0.126
local terms energy: -152.072947
where:
bonds (distance) C4'-P energy: -29.996
bonds (distance) P-C4' energy: -32.048
flat angles C4'-P-C4' energy: -29.413
flat angles P-C4'-P energy: -22.416
tors. eta vs tors. theta energy: -38.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -448.062470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.062470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.062470 (E_RNA)
where:
Base-Base interactions energy: -302.168
where: short stacking energy: -137.183
Base-Backbone interact. energy: -0.007
local terms energy: -145.886970
where:
bonds (distance) C4'-P energy: -26.542
bonds (distance) P-C4' energy: -24.455
flat angles C4'-P-C4' energy: -28.921
flat angles P-C4'-P energy: -18.921
tors. eta vs tors. theta energy: -47.048
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: 6, replica: 1
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -414.930806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.930806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.930806 (E_RNA)
where:
Base-Base interactions energy: -283.603
where: short stacking energy: -114.896
Base-Backbone interact. energy: 0.233
local terms energy: -131.560278
where:
bonds (distance) C4'-P energy: -27.192
bonds (distance) P-C4' energy: -22.863
flat angles C4'-P-C4' energy: -28.161
flat angles P-C4'-P energy: -19.949
tors. eta vs tors. theta energy: -33.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -449.684143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.684143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.684143 (E_RNA)
where:
Base-Base interactions energy: -307.300
where: short stacking energy: -138.668
Base-Backbone interact. energy: -0.011
local terms energy: -142.373716
where:
bonds (distance) C4'-P energy: -27.489
bonds (distance) P-C4' energy: -27.700
flat angles C4'-P-C4' energy: -27.402
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -43.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -303.969752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.969752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.969752 (E_RNA)
where:
Base-Base interactions energy: -203.399
where: short stacking energy: -91.303
Base-Backbone interact. energy: -0.589
local terms energy: -99.982173
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -26.294
flat angles C4'-P-C4' energy: -26.825
flat angles P-C4'-P energy: -18.436
tors. eta vs tors. theta energy: -12.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -217.772202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.772202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.772202 (E_RNA)
where:
Base-Base interactions energy: -116.749
where: short stacking energy: -53.118
Base-Backbone interact. energy: 0.677
local terms energy: -101.700286
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -29.912
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -19.249
tors. eta vs tors. theta energy: -11.597
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: 7
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -117.905581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.905581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.905581 (E_RNA)
where:
Base-Base interactions energy: -37.542
where: short stacking energy: -32.337
Base-Backbone interact. energy: 0.663
local terms energy: -81.026710
where:
bonds (distance) C4'-P energy: -22.839
bonds (distance) P-C4' energy: -23.729
flat angles C4'-P-C4' energy: -18.935
flat angles P-C4'-P energy: -18.993
tors. eta vs tors. theta energy: 3.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -520.830458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.830458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.830458 (E_RNA)
where:
Base-Base interactions energy: -358.171
where: short stacking energy: -162.819
Base-Backbone interact. energy: -0.092
local terms energy: -162.567331
where:
bonds (distance) C4'-P energy: -28.219
bonds (distance) P-C4' energy: -26.688
flat angles C4'-P-C4' energy: -33.820
flat angles P-C4'-P energy: -23.908
tors. eta vs tors. theta energy: -49.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -478.781437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.781437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.781437 (E_RNA)
where:
Base-Base interactions energy: -332.850
where: short stacking energy: -151.857
Base-Backbone interact. energy: -0.601
local terms energy: -145.330076
where:
bonds (distance) C4'-P energy: -28.032
bonds (distance) P-C4' energy: -24.456
flat angles C4'-P-C4' energy: -33.222
flat angles P-C4'-P energy: -15.606
tors. eta vs tors. theta energy: -44.013
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: 8
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -473.116449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.116449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.116449 (E_RNA)
where:
Base-Base interactions energy: -324.730
where: short stacking energy: -142.168
Base-Backbone interact. energy: -0.025
local terms energy: -148.361167
where:
bonds (distance) C4'-P energy: -22.363
bonds (distance) P-C4' energy: -33.145
flat angles C4'-P-C4' energy: -29.342
flat angles P-C4'-P energy: -18.814
tors. eta vs tors. theta energy: -44.697
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: 4, replica: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -452.833358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.833358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.833358 (E_RNA)
where:
Base-Base interactions energy: -308.932
where: short stacking energy: -138.113
Base-Backbone interact. energy: -0.703
local terms energy: -143.198212
where:
bonds (distance) C4'-P energy: -25.064
bonds (distance) P-C4' energy: -29.325
flat angles C4'-P-C4' energy: -29.201
flat angles P-C4'-P energy: -20.009
tors. eta vs tors. theta energy: -39.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -442.480696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.480696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.480696 (E_RNA)
where:
Base-Base interactions energy: -307.954
where: short stacking energy: -140.575
Base-Backbone interact. energy: -0.183
local terms energy: -134.344102
where:
bonds (distance) C4'-P energy: -28.402
bonds (distance) P-C4' energy: -23.845
flat angles C4'-P-C4' energy: -29.728
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -38.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -439.297054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.297054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.297054 (E_RNA)
where:
Base-Base interactions energy: -296.145
where: short stacking energy: -130.917
Base-Backbone interact. energy: -0.023
local terms energy: -143.129072
where:
bonds (distance) C4'-P energy: -28.831
bonds (distance) P-C4' energy: -25.094
flat angles C4'-P-C4' energy: -28.244
flat angles P-C4'-P energy: -20.663
tors. eta vs tors. theta energy: -40.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -421.628333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.628333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.628333 (E_RNA)
where:
Base-Base interactions energy: -291.418
where: short stacking energy: -130.316
Base-Backbone interact. energy: -0.198
local terms energy: -130.013208
where:
bonds (distance) C4'-P energy: -22.277
bonds (distance) P-C4' energy: -30.361
flat angles C4'-P-C4' energy: -28.677
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -37.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -308.444422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.444422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.444422 (E_RNA)
where:
Base-Base interactions energy: -188.703
where: short stacking energy: -83.677
Base-Backbone interact. energy: -0.299
local terms energy: -119.442954
where:
bonds (distance) C4'-P energy: -27.029
bonds (distance) P-C4' energy: -31.840
flat angles C4'-P-C4' energy: -27.089
flat angles P-C4'-P energy: -17.384
tors. eta vs tors. theta energy: -16.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -217.559489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.559489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.559489 (E_RNA)
where:
Base-Base interactions energy: -124.560
where: short stacking energy: -63.634
Base-Backbone interact. energy: -0.634
local terms energy: -92.365743
where:
bonds (distance) C4'-P energy: -26.243
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -24.608
flat angles P-C4'-P energy: -2.368
tors. eta vs tors. theta energy: -16.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -133.622241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.622241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.622241 (E_RNA)
where:
Base-Base interactions energy: -45.960
where: short stacking energy: -33.267
Base-Backbone interact. energy: -0.912
local terms energy: -86.750086
where:
bonds (distance) C4'-P energy: -24.180
bonds (distance) P-C4' energy: -29.831
flat angles C4'-P-C4' energy: -20.308
flat angles P-C4'-P energy: -16.276
tors. eta vs tors. theta energy: 3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -522.811101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.811101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.811101 (E_RNA)
where:
Base-Base interactions energy: -365.554
where: short stacking energy: -161.076
Base-Backbone interact. energy: -1.082
local terms energy: -156.175677
where:
bonds (distance) C4'-P energy: -25.344
bonds (distance) P-C4' energy: -27.214
flat angles C4'-P-C4' energy: -34.475
flat angles P-C4'-P energy: -17.599
tors. eta vs tors. theta energy: -51.543
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: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -487.597276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.597276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.597276 (E_RNA)
where:
Base-Base interactions energy: -332.414
where: short stacking energy: -150.350
Base-Backbone interact. energy: -0.011
local terms energy: -155.172098
where:
bonds (distance) C4'-P energy: -28.487
bonds (distance) P-C4' energy: -28.569
flat angles C4'-P-C4' energy: -27.835
flat angles P-C4'-P energy: -24.739
tors. eta vs tors. theta energy: -45.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -466.676510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.676510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.676510 (E_RNA)
where:
Base-Base interactions energy: -324.428
where: short stacking energy: -132.758
Base-Backbone interact. energy: 0.511
local terms energy: -142.759856
where:
bonds (distance) C4'-P energy: -26.214
bonds (distance) P-C4' energy: -24.178
flat angles C4'-P-C4' energy: -27.734
flat angles P-C4'-P energy: -22.281
tors. eta vs tors. theta energy: -42.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -469.868104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.868104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.868104 (E_RNA)
where:
Base-Base interactions energy: -330.131
where: short stacking energy: -140.982
Base-Backbone interact. energy: -0.020
local terms energy: -139.717034
where:
bonds (distance) C4'-P energy: -28.482
bonds (distance) P-C4' energy: -22.609
flat angles C4'-P-C4' energy: -26.953
flat angles P-C4'-P energy: -19.472
tors. eta vs tors. theta energy: -42.201
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: 5, replica: 1
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -443.719081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.719081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.719081 (E_RNA)
where:
Base-Base interactions energy: -299.405
where: short stacking energy: -139.187
Base-Backbone interact. energy: -1.033
local terms energy: -143.280994
where:
bonds (distance) C4'-P energy: -26.601
bonds (distance) P-C4' energy: -27.868
flat angles C4'-P-C4' energy: -32.045
flat angles P-C4'-P energy: -21.866
tors. eta vs tors. theta energy: -34.900
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: 3
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -446.822061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.822061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.822061 (E_RNA)
where:
Base-Base interactions energy: -315.154
where: short stacking energy: -136.570
Base-Backbone interact. energy: -0.056
local terms energy: -131.611483
where:
bonds (distance) C4'-P energy: -24.112
bonds (distance) P-C4' energy: -24.353
flat angles C4'-P-C4' energy: -26.245
flat angles P-C4'-P energy: -17.632
tors. eta vs tors. theta energy: -39.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -418.791683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.791683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.791683 (E_RNA)
where:
Base-Base interactions energy: -287.898
where: short stacking energy: -123.367
Base-Backbone interact. energy: -0.106
local terms energy: -130.787333
where:
bonds (distance) C4'-P energy: -24.637
bonds (distance) P-C4' energy: -26.346
flat angles C4'-P-C4' energy: -29.418
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -37.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -239.625487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.625487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.625487 (E_RNA)
where:
Base-Base interactions energy: -137.456
where: short stacking energy: -73.621
Base-Backbone interact. energy: -0.463
local terms energy: -101.706633
where:
bonds (distance) C4'-P energy: -25.436
bonds (distance) P-C4' energy: -25.666
flat angles C4'-P-C4' energy: -19.557
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -17.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -283.973110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.973110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.973110 (E_RNA)
where:
Base-Base interactions energy: -180.270
where: short stacking energy: -74.490
Base-Backbone interact. energy: -0.595
local terms energy: -103.107679
where:
bonds (distance) C4'-P energy: -23.232
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -25.059
flat angles P-C4'-P energy: -19.084
tors. eta vs tors. theta energy: -12.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -129.015296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.015296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.015296 (E_RNA)
where:
Base-Base interactions energy: -48.443
where: short stacking energy: -46.441
Base-Backbone interact. energy: -0.220
local terms energy: -80.352656
where:
bonds (distance) C4'-P energy: -25.435
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -12.913
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: 1, replica: 8
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -504.218541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.218541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.218541 (E_RNA)
where:
Base-Base interactions energy: -350.443
where: short stacking energy: -147.605
Base-Backbone interact. energy: -0.168
local terms energy: -153.607734
where:
bonds (distance) C4'-P energy: -27.626
bonds (distance) P-C4' energy: -28.278
flat angles C4'-P-C4' energy: -31.406
flat angles P-C4'-P energy: -23.719
tors. eta vs tors. theta energy: -42.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -515.672041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.672041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.672041 (E_RNA)
where:
Base-Base interactions energy: -352.804
where: short stacking energy: -157.584
Base-Backbone interact. energy: -0.408
local terms energy: -162.459586
where:
bonds (distance) C4'-P energy: -26.811
bonds (distance) P-C4' energy: -30.186
flat angles C4'-P-C4' energy: -33.899
flat angles P-C4'-P energy: -22.040
tors. eta vs tors. theta energy: -49.524
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: 216
Temperature: 1.000000
Total energy: -478.287082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.287082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.287082 (E_RNA)
where:
Base-Base interactions energy: -318.037
where: short stacking energy: -135.022
Base-Backbone interact. energy: -1.173
local terms energy: -159.077536
where:
bonds (distance) C4'-P energy: -27.436
bonds (distance) P-C4' energy: -29.220
flat angles C4'-P-C4' energy: -35.255
flat angles P-C4'-P energy: -25.290
tors. eta vs tors. theta energy: -41.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -464.538379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.538379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.538379 (E_RNA)
where:
Base-Base interactions energy: -321.881
where: short stacking energy: -139.619
Base-Backbone interact. energy: -0.621
local terms energy: -142.036501
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -27.305
flat angles C4'-P-C4' energy: -31.680
flat angles P-C4'-P energy: -18.720
tors. eta vs tors. theta energy: -41.495
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: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -453.323758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.323758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.323758 (E_RNA)
where:
Base-Base interactions energy: -303.983
where: short stacking energy: -136.477
Base-Backbone interact. energy: -0.098
local terms energy: -149.242265
where:
bonds (distance) C4'-P energy: -25.690
bonds (distance) P-C4' energy: -25.720
flat angles C4'-P-C4' energy: -33.930
flat angles P-C4'-P energy: -20.667
tors. eta vs tors. theta energy: -43.237
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: 1
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -425.564055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.564055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.564055 (E_RNA)
where:
Base-Base interactions energy: -306.728
where: short stacking energy: -136.220
Base-Backbone interact. energy: -0.368
local terms energy: -118.467618
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -22.565
flat angles C4'-P-C4' energy: -29.418
flat angles P-C4'-P energy: -15.387
tors. eta vs tors. theta energy: -36.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -446.219864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.219864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.219864 (E_RNA)
where:
Base-Base interactions energy: -298.817
where: short stacking energy: -134.628
Base-Backbone interact. energy: -0.266
local terms energy: -147.136696
where:
bonds (distance) C4'-P energy: -30.892
bonds (distance) P-C4' energy: -29.151
flat angles C4'-P-C4' energy: -33.733
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -38.997
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: 4
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -231.961667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.961667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.961667 (E_RNA)
where:
Base-Base interactions energy: -139.453
where: short stacking energy: -78.061
Base-Backbone interact. energy: -0.055
local terms energy: -92.453551
where:
bonds (distance) C4'-P energy: -25.791
bonds (distance) P-C4' energy: -24.338
flat angles C4'-P-C4' energy: -19.575
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -14.279
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: 2
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -300.851959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.851959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.851959 (E_RNA)
where:
Base-Base interactions energy: -198.698
where: short stacking energy: -77.578
Base-Backbone interact. energy: -0.185
local terms energy: -101.969197
where:
bonds (distance) C4'-P energy: -24.303
bonds (distance) P-C4' energy: -24.314
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -18.319
tors. eta vs tors. theta energy: -16.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -140.729614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.729614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.729614 (E_RNA)
where:
Base-Base interactions energy: -46.490
where: short stacking energy: -34.736
Base-Backbone interact. energy: -0.577
local terms energy: -93.663053
where:
bonds (distance) C4'-P energy: -27.192
bonds (distance) P-C4' energy: -30.164
flat angles C4'-P-C4' energy: -21.485
flat angles P-C4'-P energy: -18.880
tors. eta vs tors. theta energy: 4.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -497.432151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.432151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.432151 (E_RNA)
where:
Base-Base interactions energy: -345.567
where: short stacking energy: -145.794
Base-Backbone interact. energy: -0.793
local terms energy: -151.072468
where:
bonds (distance) C4'-P energy: -30.439
bonds (distance) P-C4' energy: -27.658
flat angles C4'-P-C4' energy: -29.641
flat angles P-C4'-P energy: -21.717
tors. eta vs tors. theta energy: -41.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -482.602154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.602154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.602154 (E_RNA)
where:
Base-Base interactions energy: -341.557
where: short stacking energy: -147.592
Base-Backbone interact. energy: -1.302
local terms energy: -139.743509
where:
bonds (distance) C4'-P energy: -28.797
bonds (distance) P-C4' energy: -24.419
flat angles C4'-P-C4' energy: -25.083
flat angles P-C4'-P energy: -21.513
tors. eta vs tors. theta energy: -39.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -510.137901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.137901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.137901 (E_RNA)
where:
Base-Base interactions energy: -355.650
where: short stacking energy: -160.405
Base-Backbone interact. energy: -1.278
local terms energy: -153.210314
where:
bonds (distance) C4'-P energy: -30.146
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -26.433
flat angles P-C4'-P energy: -26.894
tors. eta vs tors. theta energy: -48.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -447.210993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.210993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.210993 (E_RNA)
where:
Base-Base interactions energy: -312.849
where: short stacking energy: -137.747
Base-Backbone interact. energy: -0.012
local terms energy: -134.349383
where:
bonds (distance) C4'-P energy: -20.466
bonds (distance) P-C4' energy: -29.264
flat angles C4'-P-C4' energy: -27.308
flat angles P-C4'-P energy: -19.841
tors. eta vs tors. theta energy: -37.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -441.515667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.515667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.515667 (E_RNA)
where:
Base-Base interactions energy: -293.246
where: short stacking energy: -137.852
Base-Backbone interact. energy: -0.608
local terms energy: -147.661869
where:
bonds (distance) C4'-P energy: -28.600
bonds (distance) P-C4' energy: -23.764
flat angles C4'-P-C4' energy: -29.778
flat angles P-C4'-P energy: -22.541
tors. eta vs tors. theta energy: -42.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -427.615134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.615134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.615134 (E_RNA)
where:
Base-Base interactions energy: -295.903
where: short stacking energy: -140.085
Base-Backbone interact. energy: -0.039
local terms energy: -131.672763
where:
bonds (distance) C4'-P energy: -19.743
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -28.422
flat angles P-C4'-P energy: -19.136
tors. eta vs tors. theta energy: -41.112
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: 217
Temperature: 1.200000
Total energy: -413.374414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.374414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.374414 (E_RNA)
where:
Base-Base interactions energy: -279.288
where: short stacking energy: -121.853
Base-Backbone interact. energy: -0.305
local terms energy: -133.781898
where:
bonds (distance) C4'-P energy: -27.357
bonds (distance) P-C4' energy: -26.935
flat angles C4'-P-C4' energy: -29.235
flat angles P-C4'-P energy: -19.482
tors. eta vs tors. theta energy: -30.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -336.529964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.529964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.529964 (E_RNA)
where:
Base-Base interactions energy: -224.334
where: short stacking energy: -111.229
Base-Backbone interact. energy: -0.896
local terms energy: -111.300389
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -23.889
flat angles C4'-P-C4' energy: -27.796
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -28.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -201.559527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.559527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.559527 (E_RNA)
where:
Base-Base interactions energy: -106.128
where: short stacking energy: -41.035
Base-Backbone interact. energy: -0.834
local terms energy: -94.597454
where:
bonds (distance) C4'-P energy: -24.090
bonds (distance) P-C4' energy: -29.738
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -16.148
tors. eta vs tors. theta energy: -6.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -130.153762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.153762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.153762 (E_RNA)
where:
Base-Base interactions energy: -45.148
where: short stacking energy: -35.664
Base-Backbone interact. energy: -0.498
local terms energy: -84.507785
where:
bonds (distance) C4'-P energy: -25.585
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: -24.391
flat angles P-C4'-P energy: -16.253
tors. eta vs tors. theta energy: 4.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -485.868256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.868256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.868256 (E_RNA)
where:
Base-Base interactions energy: -341.651
where: short stacking energy: -145.814
Base-Backbone interact. energy: -0.066
local terms energy: -144.150731
where:
bonds (distance) C4'-P energy: -25.278
bonds (distance) P-C4' energy: -30.677
flat angles C4'-P-C4' energy: -31.134
flat angles P-C4'-P energy: -17.621
tors. eta vs tors. theta energy: -39.441
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: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -480.148752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.148752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.148752 (E_RNA)
where:
Base-Base interactions energy: -330.327
where: short stacking energy: -143.981
Base-Backbone interact. energy: -0.926
local terms energy: -148.895674
where:
bonds (distance) C4'-P energy: -25.884
bonds (distance) P-C4' energy: -25.490
flat angles C4'-P-C4' energy: -32.416
flat angles P-C4'-P energy: -21.760
tors. eta vs tors. theta energy: -43.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -494.394085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.394085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.394085 (E_RNA)
where:
Base-Base interactions energy: -342.290
where: short stacking energy: -154.665
Base-Backbone interact. energy: -0.008
local terms energy: -152.095719
where:
bonds (distance) C4'-P energy: -25.369
bonds (distance) P-C4' energy: -27.732
flat angles C4'-P-C4' energy: -30.539
flat angles P-C4'-P energy: -23.444
tors. eta vs tors. theta energy: -45.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -461.515581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.515581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.515581 (E_RNA)
where:
Base-Base interactions energy: -313.803
where: short stacking energy: -137.102
Base-Backbone interact. energy: -0.325
local terms energy: -147.388253
where:
bonds (distance) C4'-P energy: -27.382
bonds (distance) P-C4' energy: -26.653
flat angles C4'-P-C4' energy: -33.761
flat angles P-C4'-P energy: -21.761
tors. eta vs tors. theta energy: -37.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -439.558557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.558557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.558557 (E_RNA)
where:
Base-Base interactions energy: -303.739
where: short stacking energy: -140.906
Base-Backbone interact. energy: -0.122
local terms energy: -135.697794
where:
bonds (distance) C4'-P energy: -23.125
bonds (distance) P-C4' energy: -28.142
flat angles C4'-P-C4' energy: -33.591
flat angles P-C4'-P energy: -15.454
tors. eta vs tors. theta energy: -35.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -410.679523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.679523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.679523 (E_RNA)
where:
Base-Base interactions energy: -281.501
where: short stacking energy: -122.097
Base-Backbone interact. energy: 0.588
local terms energy: -129.767202
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -27.773
flat angles C4'-P-C4' energy: -25.193
flat angles P-C4'-P energy: -21.308
tors. eta vs tors. theta energy: -36.012
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: 7, replica: 1
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -409.040237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.040237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.040237 (E_RNA)
where:
Base-Base interactions energy: -289.057
where: short stacking energy: -123.112
Base-Backbone interact. energy: 0.807
local terms energy: -120.790200
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -29.788
flat angles C4'-P-C4' energy: -25.465
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: -33.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -326.138720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.138720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.138720 (E_RNA)
where:
Base-Base interactions energy: -217.833
where: short stacking energy: -93.452
Base-Backbone interact. energy: -0.309
local terms energy: -107.996491
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -26.684
flat angles C4'-P-C4' energy: -22.250
flat angles P-C4'-P energy: -18.209
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: 9, replica: 4
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -208.706611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.706611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.706611 (E_RNA)
where:
Base-Base interactions energy: -103.589
where: short stacking energy: -49.806
Base-Backbone interact. energy: -0.858
local terms energy: -104.259723
where:
bonds (distance) C4'-P energy: -26.680
bonds (distance) P-C4' energy: -28.162
flat angles C4'-P-C4' energy: -26.638
flat angles P-C4'-P energy: -21.053
tors. eta vs tors. theta energy: -1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -133.710976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.710976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.710976 (E_RNA)
where:
Base-Base interactions energy: -57.945
where: short stacking energy: -48.492
Base-Backbone interact. energy: 3.555
local terms energy: -79.321382
where:
bonds (distance) C4'-P energy: -21.511
bonds (distance) P-C4' energy: -22.697
flat angles C4'-P-C4' energy: -27.477
flat angles P-C4'-P energy: -5.764
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: 9
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -494.116761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.116761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.116761 (E_RNA)
where:
Base-Base interactions energy: -342.609
where: short stacking energy: -144.386
Base-Backbone interact. energy: -0.150
local terms energy: -151.358690
where:
bonds (distance) C4'-P energy: -23.225
bonds (distance) P-C4' energy: -28.148
flat angles C4'-P-C4' energy: -34.212
flat angles P-C4'-P energy: -25.474
tors. eta vs tors. theta energy: -40.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -483.247452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.247452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.247452 (E_RNA)
where:
Base-Base interactions energy: -338.222
where: short stacking energy: -136.326
Base-Backbone interact. energy: 0.021
local terms energy: -145.046830
where:
bonds (distance) C4'-P energy: -31.212
bonds (distance) P-C4' energy: -24.209
flat angles C4'-P-C4' energy: -26.256
flat angles P-C4'-P energy: -27.140
tors. eta vs tors. theta energy: -36.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -500.540238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.540238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.540238 (E_RNA)
where:
Base-Base interactions energy: -361.897
where: short stacking energy: -148.463
Base-Backbone interact. energy: -0.723
local terms energy: -137.920051
where:
bonds (distance) C4'-P energy: -26.811
bonds (distance) P-C4' energy: -27.069
flat angles C4'-P-C4' energy: -26.250
flat angles P-C4'-P energy: -17.137
tors. eta vs tors. theta energy: -40.653
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: 10
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -461.806539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.806539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.806539 (E_RNA)
where:
Base-Base interactions energy: -306.670
where: short stacking energy: -141.040
Base-Backbone interact. energy: -0.455
local terms energy: -154.681855
where:
bonds (distance) C4'-P energy: -31.722
bonds (distance) P-C4' energy: -31.280
flat angles C4'-P-C4' energy: -25.616
flat angles P-C4'-P energy: -24.789
tors. eta vs tors. theta energy: -41.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -445.010942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.010942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.010942 (E_RNA)
where:
Base-Base interactions energy: -304.759
where: short stacking energy: -142.520
Base-Backbone interact. energy: -0.077
local terms energy: -140.174571
where:
bonds (distance) C4'-P energy: -19.975
bonds (distance) P-C4' energy: -27.882
flat angles C4'-P-C4' energy: -31.085
flat angles P-C4'-P energy: -20.552
tors. eta vs tors. theta energy: -40.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -396.069747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.069747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.069747 (E_RNA)
where:
Base-Base interactions energy: -268.911
where: short stacking energy: -106.210
Base-Backbone interact. energy: 1.940
local terms energy: -129.099165
where:
bonds (distance) C4'-P energy: -28.244
bonds (distance) P-C4' energy: -30.914
flat angles C4'-P-C4' energy: -29.642
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -28.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -415.878105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.878105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.878105 (E_RNA)
where:
Base-Base interactions energy: -283.312
where: short stacking energy: -120.378
Base-Backbone interact. energy: 0.980
local terms energy: -133.546228
where:
bonds (distance) C4'-P energy: -23.465
bonds (distance) P-C4' energy: -29.092
flat angles C4'-P-C4' energy: -32.305
flat angles P-C4'-P energy: -18.335
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: 8, replica: 2
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -319.166101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.166101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.166101 (E_RNA)
where:
Base-Base interactions energy: -210.407
where: short stacking energy: -86.043
Base-Backbone interact. energy: -1.961
local terms energy: -106.798050
where:
bonds (distance) C4'-P energy: -19.721
bonds (distance) P-C4' energy: -30.318
flat angles C4'-P-C4' energy: -20.886
flat angles P-C4'-P energy: -14.929
tors. eta vs tors. theta energy: -20.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -204.853059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.853059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.853059 (E_RNA)
where:
Base-Base interactions energy: -121.132
where: short stacking energy: -65.774
Base-Backbone interact. energy: 2.393
local terms energy: -86.114862
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -23.969
flat angles C4'-P-C4' energy: -25.719
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -5.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -125.938914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.938914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.938914 (E_RNA)
where:
Base-Base interactions energy: -51.762
where: short stacking energy: -46.626
Base-Backbone interact. energy: 0.964
local terms energy: -75.140980
where:
bonds (distance) C4'-P energy: -24.376
bonds (distance) P-C4' energy: -21.151
flat angles C4'-P-C4' energy: -22.271
flat angles P-C4'-P energy: -9.991
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: 1, replica: 9
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -505.097258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.097258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.097258 (E_RNA)
where:
Base-Base interactions energy: -362.261
where: short stacking energy: -151.372
Base-Backbone interact. energy: -1.378
local terms energy: -141.458764
where:
bonds (distance) C4'-P energy: -25.592
bonds (distance) P-C4' energy: -29.239
flat angles C4'-P-C4' energy: -27.023
flat angles P-C4'-P energy: -15.215
tors. eta vs tors. theta energy: -44.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -501.177141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.177141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.177141 (E_RNA)
where:
Base-Base interactions energy: -337.113
where: short stacking energy: -147.597
Base-Backbone interact. energy: -0.222
local terms energy: -163.841786
where:
bonds (distance) C4'-P energy: -29.370
bonds (distance) P-C4' energy: -34.349
flat angles C4'-P-C4' energy: -33.337
flat angles P-C4'-P energy: -22.224
tors. eta vs tors. theta energy: -44.562
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: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -510.592964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.592964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.592964 (E_RNA)
where:
Base-Base interactions energy: -362.706
where: short stacking energy: -162.523
Base-Backbone interact. energy: -0.351
local terms energy: -147.535458
where:
bonds (distance) C4'-P energy: -26.791
bonds (distance) P-C4' energy: -27.888
flat angles C4'-P-C4' energy: -31.323
flat angles P-C4'-P energy: -17.514
tors. eta vs tors. theta energy: -44.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -456.897584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.897584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.897584 (E_RNA)
where:
Base-Base interactions energy: -311.113
where: short stacking energy: -137.734
Base-Backbone interact. energy: -0.650
local terms energy: -145.134552
where:
bonds (distance) C4'-P energy: -32.015
bonds (distance) P-C4' energy: -30.039
flat angles C4'-P-C4' energy: -28.473
flat angles P-C4'-P energy: -15.809
tors. eta vs tors. theta energy: -38.799
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: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -440.815985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.815985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.815985 (E_RNA)
where:
Base-Base interactions energy: -298.430
where: short stacking energy: -139.585
Base-Backbone interact. energy: -0.034
local terms energy: -142.351252
where:
bonds (distance) C4'-P energy: -26.627
bonds (distance) P-C4' energy: -26.388
flat angles C4'-P-C4' energy: -27.862
flat angles P-C4'-P energy: -19.655
tors. eta vs tors. theta energy: -41.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -426.670364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.670364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.670364 (E_RNA)
where:
Base-Base interactions energy: -289.294
where: short stacking energy: -137.958
Base-Backbone interact. energy: -0.640
local terms energy: -136.737046
where:
bonds (distance) C4'-P energy: -28.959
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -31.127
flat angles P-C4'-P energy: -14.334
tors. eta vs tors. theta energy: -39.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -392.837307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.837307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.837307 (E_RNA)
where:
Base-Base interactions energy: -284.298
where: short stacking energy: -117.044
Base-Backbone interact. energy: -0.914
local terms energy: -107.625460
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -26.017
flat angles C4'-P-C4' energy: -21.693
flat angles P-C4'-P energy: -14.697
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: 8, replica: 2
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -332.150231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.150231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.150231 (E_RNA)
where:
Base-Base interactions energy: -216.749
where: short stacking energy: -92.920
Base-Backbone interact. energy: -0.417
local terms energy: -114.984724
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -24.992
flat angles C4'-P-C4' energy: -23.235
flat angles P-C4'-P energy: -18.315
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: 9, replica: 4
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -222.140314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.140314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.140314 (E_RNA)
where:
Base-Base interactions energy: -120.816
where: short stacking energy: -56.591
Base-Backbone interact. energy: 1.434
local terms energy: -102.757711
where:
bonds (distance) C4'-P energy: -26.164
bonds (distance) P-C4' energy: -26.541
flat angles C4'-P-C4' energy: -26.457
flat angles P-C4'-P energy: -16.872
tors. eta vs tors. theta energy: -6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -132.072161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.072161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.072161 (E_RNA)
where:
Base-Base interactions energy: -51.532
where: short stacking energy: -51.532
Base-Backbone interact. energy: -1.142
local terms energy: -79.397315
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -31.455
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -9.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -509.902269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.902269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.902269 (E_RNA)
where:
Base-Base interactions energy: -359.743
where: short stacking energy: -153.167
Base-Backbone interact. energy: -0.005
local terms energy: -150.154172
where:
bonds (distance) C4'-P energy: -29.095
bonds (distance) P-C4' energy: -29.044
flat angles C4'-P-C4' energy: -32.492
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -43.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -498.836859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.836859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.836859 (E_RNA)
where:
Base-Base interactions energy: -354.368
where: short stacking energy: -151.584
Base-Backbone interact. energy: -0.110
local terms energy: -144.358511
where:
bonds (distance) C4'-P energy: -23.303
bonds (distance) P-C4' energy: -26.944
flat angles C4'-P-C4' energy: -28.759
flat angles P-C4'-P energy: -21.654
tors. eta vs tors. theta energy: -43.698
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: 3, replica: 5
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -500.499984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.499984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.499984 (E_RNA)
where:
Base-Base interactions energy: -348.879
where: short stacking energy: -154.859
Base-Backbone interact. energy: -0.424
local terms energy: -151.197003
where:
bonds (distance) C4'-P energy: -29.234
bonds (distance) P-C4' energy: -23.239
flat angles C4'-P-C4' energy: -28.742
flat angles P-C4'-P energy: -21.318
tors. eta vs tors. theta energy: -48.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -445.783948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.783948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.783948 (E_RNA)
where:
Base-Base interactions energy: -301.503
where: short stacking energy: -123.980
Base-Backbone interact. energy: 0.967
local terms energy: -145.248207
where:
bonds (distance) C4'-P energy: -29.717
bonds (distance) P-C4' energy: -27.010
flat angles C4'-P-C4' energy: -31.897
flat angles P-C4'-P energy: -21.112
tors. eta vs tors. theta energy: -35.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -420.994241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.994241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.994241 (E_RNA)
where:
Base-Base interactions energy: -280.223
where: short stacking energy: -116.101
Base-Backbone interact. energy: -0.059
local terms energy: -140.712031
where:
bonds (distance) C4'-P energy: -25.778
bonds (distance) P-C4' energy: -28.221
flat angles C4'-P-C4' energy: -28.391
flat angles P-C4'-P energy: -21.300
tors. eta vs tors. theta energy: -37.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -433.384090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.384090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.384090 (E_RNA)
where:
Base-Base interactions energy: -294.546
where: short stacking energy: -132.124
Base-Backbone interact. energy: -0.481
local terms energy: -138.357109
where:
bonds (distance) C4'-P energy: -24.741
bonds (distance) P-C4' energy: -23.748
flat angles C4'-P-C4' energy: -31.119
flat angles P-C4'-P energy: -19.657
tors. eta vs tors. theta energy: -39.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -401.959096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.959096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.959096 (E_RNA)
where:
Base-Base interactions energy: -271.637
where: short stacking energy: -118.146
Base-Backbone interact. energy: -0.020
local terms energy: -130.302001
where:
bonds (distance) C4'-P energy: -26.532
bonds (distance) P-C4' energy: -24.144
flat angles C4'-P-C4' energy: -30.607
flat angles P-C4'-P energy: -19.699
tors. eta vs tors. theta energy: -29.320
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: 2
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -321.348567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.348567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.348567 (E_RNA)
where:
Base-Base interactions energy: -221.581
where: short stacking energy: -94.729
Base-Backbone interact. energy: -0.490
local terms energy: -99.278277
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -28.534
flat angles P-C4'-P energy: -22.281
tors. eta vs tors. theta energy: -13.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -203.969128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.969128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.969128 (E_RNA)
where:
Base-Base interactions energy: -105.024
where: short stacking energy: -61.062
Base-Backbone interact. energy: -0.410
local terms energy: -98.535327
where:
bonds (distance) C4'-P energy: -27.400
bonds (distance) P-C4' energy: -25.883
flat angles C4'-P-C4' energy: -21.656
flat angles P-C4'-P energy: -17.567
tors. eta vs tors. theta energy: -6.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -127.530001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.530001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.530001 (E_RNA)
where:
Base-Base interactions energy: -36.388
where: short stacking energy: -33.275
Base-Backbone interact. energy: -1.375
local terms energy: -89.767109
where:
bonds (distance) C4'-P energy: -22.621
bonds (distance) P-C4' energy: -26.395
flat angles C4'-P-C4' energy: -26.974
flat angles P-C4'-P energy: -14.265
tors. eta vs tors. theta energy: 0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -504.673767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.673767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.673767 (E_RNA)
where:
Base-Base interactions energy: -360.769
where: short stacking energy: -145.759
Base-Backbone interact. energy: 0.822
local terms energy: -144.726772
where:
bonds (distance) C4'-P energy: -26.911
bonds (distance) P-C4' energy: -31.324
flat angles C4'-P-C4' energy: -26.007
flat angles P-C4'-P energy: -19.794
tors. eta vs tors. theta energy: -40.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -513.005012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.005012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.005012 (E_RNA)
where:
Base-Base interactions energy: -363.892
where: short stacking energy: -153.206
Base-Backbone interact. energy: -0.001
local terms energy: -149.111321
where:
bonds (distance) C4'-P energy: -26.049
bonds (distance) P-C4' energy: -25.824
flat angles C4'-P-C4' energy: -34.553
flat angles P-C4'-P energy: -18.117
tors. eta vs tors. theta energy: -44.568
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: 10
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -459.786015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.786015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.786015 (E_RNA)
where:
Base-Base interactions energy: -317.918
where: short stacking energy: -126.068
Base-Backbone interact. energy: -0.467
local terms energy: -141.401777
where:
bonds (distance) C4'-P energy: -28.637
bonds (distance) P-C4' energy: -27.668
flat angles C4'-P-C4' energy: -29.586
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -37.609
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: 5
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -506.308560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.308560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.308560 (E_RNA)
where:
Base-Base interactions energy: -352.134
where: short stacking energy: -152.416
Base-Backbone interact. energy: -0.024
local terms energy: -154.150378
where:
bonds (distance) C4'-P energy: -30.246
bonds (distance) P-C4' energy: -24.380
flat angles C4'-P-C4' energy: -31.933
flat angles P-C4'-P energy: -19.944
tors. eta vs tors. theta energy: -47.648
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: 222
Temperature: 1.100000
Total energy: -450.774543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.774543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.774543 (E_RNA)
where:
Base-Base interactions energy: -308.532
where: short stacking energy: -142.551
Base-Backbone interact. energy: -0.311
local terms energy: -141.931648
where:
bonds (distance) C4'-P energy: -26.388
bonds (distance) P-C4' energy: -29.223
flat angles C4'-P-C4' energy: -22.887
flat angles P-C4'-P energy: -19.954
tors. eta vs tors. theta energy: -43.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -419.449254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.449254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.449254 (E_RNA)
where:
Base-Base interactions energy: -295.118
where: short stacking energy: -115.265
Base-Backbone interact. energy: 0.734
local terms energy: -125.065500
where:
bonds (distance) C4'-P energy: -26.013
bonds (distance) P-C4' energy: -25.374
flat angles C4'-P-C4' energy: -27.739
flat angles P-C4'-P energy: -19.213
tors. eta vs tors. theta energy: -26.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -386.078620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.078620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.078620 (E_RNA)
where:
Base-Base interactions energy: -265.451
where: short stacking energy: -118.249
Base-Backbone interact. energy: -0.755
local terms energy: -119.872379
where:
bonds (distance) C4'-P energy: -27.853
bonds (distance) P-C4' energy: -21.734
flat angles C4'-P-C4' energy: -26.789
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -28.611
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: 2
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -327.237010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.237010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.237010 (E_RNA)
where:
Base-Base interactions energy: -210.527
where: short stacking energy: -82.604
Base-Backbone interact. energy: -0.363
local terms energy: -116.346665
where:
bonds (distance) C4'-P energy: -24.824
bonds (distance) P-C4' energy: -25.268
flat angles C4'-P-C4' energy: -24.775
flat angles P-C4'-P energy: -21.440
tors. eta vs tors. theta energy: -20.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -217.590245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.590245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.590245 (E_RNA)
where:
Base-Base interactions energy: -119.399
where: short stacking energy: -64.579
Base-Backbone interact. energy: 0.730
local terms energy: -98.921717
where:
bonds (distance) C4'-P energy: -29.614
bonds (distance) P-C4' energy: -27.477
flat angles C4'-P-C4' energy: -22.654
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -5.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -140.468740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.468740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.468740 (E_RNA)
where:
Base-Base interactions energy: -59.695
where: short stacking energy: -57.487
Base-Backbone interact. energy: 3.252
local terms energy: -84.026126
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -25.882
flat angles C4'-P-C4' energy: -27.006
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: -5.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -512.317409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.317409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.317409 (E_RNA)
where:
Base-Base interactions energy: -365.947
where: short stacking energy: -153.252
Base-Backbone interact. energy: -0.263
local terms energy: -146.107524
where:
bonds (distance) C4'-P energy: -32.195
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -29.251
flat angles P-C4'-P energy: -22.918
tors. eta vs tors. theta energy: -37.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -479.409154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.409154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.409154 (E_RNA)
where:
Base-Base interactions energy: -338.349
where: short stacking energy: -137.788
Base-Backbone interact. energy: -0.948
local terms energy: -140.112161
where:
bonds (distance) C4'-P energy: -24.974
bonds (distance) P-C4' energy: -26.674
flat angles C4'-P-C4' energy: -31.084
flat angles P-C4'-P energy: -20.605
tors. eta vs tors. theta energy: -36.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -473.000942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.000942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.000942 (E_RNA)
where:
Base-Base interactions energy: -313.171
where: short stacking energy: -146.441
Base-Backbone interact. energy: -0.052
local terms energy: -159.778341
where:
bonds (distance) C4'-P energy: -32.061
bonds (distance) P-C4' energy: -31.835
flat angles C4'-P-C4' energy: -28.314
flat angles P-C4'-P energy: -24.632
tors. eta vs tors. theta energy: -42.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -496.070012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.070012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.070012 (E_RNA)
where:
Base-Base interactions energy: -349.733
where: short stacking energy: -139.294
Base-Backbone interact. energy: -0.013
local terms energy: -146.324588
where:
bonds (distance) C4'-P energy: -26.144
bonds (distance) P-C4' energy: -23.134
flat angles C4'-P-C4' energy: -29.768
flat angles P-C4'-P energy: -20.503
tors. eta vs tors. theta energy: -46.775
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: 223
Temperature: 1.100000
Total energy: -451.590651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.590651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.590651 (E_RNA)
where:
Base-Base interactions energy: -310.191
where: short stacking energy: -145.237
Base-Backbone interact. energy: -0.347
local terms energy: -141.052267
where:
bonds (distance) C4'-P energy: -24.034
bonds (distance) P-C4' energy: -27.771
flat angles C4'-P-C4' energy: -26.060
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -47.284
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: 6, replica: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -435.150493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.150493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.150493 (E_RNA)
where:
Base-Base interactions energy: -295.808
where: short stacking energy: -133.615
Base-Backbone interact. energy: -1.236
local terms energy: -138.106295
where:
bonds (distance) C4'-P energy: -29.320
bonds (distance) P-C4' energy: -26.614
flat angles C4'-P-C4' energy: -27.579
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -40.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -384.655122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.655122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.655122 (E_RNA)
where:
Base-Base interactions energy: -265.589
where: short stacking energy: -110.222
Base-Backbone interact. energy: 1.041
local terms energy: -120.107297
where:
bonds (distance) C4'-P energy: -24.906
bonds (distance) P-C4' energy: -21.290
flat angles C4'-P-C4' energy: -28.525
flat angles P-C4'-P energy: -15.867
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: 8, replica: 2
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -328.073440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.073440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.073440 (E_RNA)
where:
Base-Base interactions energy: -215.328
where: short stacking energy: -85.051
Base-Backbone interact. energy: -0.452
local terms energy: -112.293950
where:
bonds (distance) C4'-P energy: -28.893
bonds (distance) P-C4' energy: -26.040
flat angles C4'-P-C4' energy: -23.431
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -18.448
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: 223
Temperature: 1.300000
Total energy: -228.257652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.257652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.257652 (E_RNA)
where:
Base-Base interactions energy: -123.525
where: short stacking energy: -71.819
Base-Backbone interact. energy: -0.079
local terms energy: -104.654233
where:
bonds (distance) C4'-P energy: -21.953
bonds (distance) P-C4' energy: -25.171
flat angles C4'-P-C4' energy: -19.808
flat angles P-C4'-P energy: -18.462
tors. eta vs tors. theta energy: -19.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -128.489125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.489125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.489125 (E_RNA)
where:
Base-Base interactions energy: -48.296
where: short stacking energy: -48.296
Base-Backbone interact. energy: -0.445
local terms energy: -79.747543
where:
bonds (distance) C4'-P energy: -23.772
bonds (distance) P-C4' energy: -26.560
flat angles C4'-P-C4' energy: -23.885
flat angles P-C4'-P energy: -6.118
tors. eta vs tors. theta energy: 0.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -510.523531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.523531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.523531 (E_RNA)
where:
Base-Base interactions energy: -358.144
where: short stacking energy: -146.574
Base-Backbone interact. energy: -0.435
local terms energy: -151.944067
where:
bonds (distance) C4'-P energy: -29.129
bonds (distance) P-C4' energy: -29.280
flat angles C4'-P-C4' energy: -30.507
flat angles P-C4'-P energy: -23.797
tors. eta vs tors. theta energy: -39.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -469.051712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.051712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.051712 (E_RNA)
where:
Base-Base interactions energy: -321.889
where: short stacking energy: -133.716
Base-Backbone interact. energy: -0.349
local terms energy: -146.814161
where:
bonds (distance) C4'-P energy: -27.891
bonds (distance) P-C4' energy: -29.810
flat angles C4'-P-C4' energy: -29.934
flat angles P-C4'-P energy: -21.147
tors. eta vs tors. theta energy: -38.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -513.463760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.463760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.463760 (E_RNA)
where:
Base-Base interactions energy: -363.851
where: short stacking energy: -148.573
Base-Backbone interact. energy: -0.044
local terms energy: -149.568740
where:
bonds (distance) C4'-P energy: -23.697
bonds (distance) P-C4' energy: -29.638
flat angles C4'-P-C4' energy: -34.957
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: -43.287
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: 9
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -470.808325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.808325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.808325 (E_RNA)
where:
Base-Base interactions energy: -327.503
where: short stacking energy: -140.101
Base-Backbone interact. energy: -0.216
local terms energy: -143.089216
where:
bonds (distance) C4'-P energy: -26.943
bonds (distance) P-C4' energy: -23.397
flat angles C4'-P-C4' energy: -31.995
flat angles P-C4'-P energy: -22.306
tors. eta vs tors. theta energy: -38.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -450.988938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.988938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.988938 (E_RNA)
where:
Base-Base interactions energy: -306.715
where: short stacking energy: -135.636
Base-Backbone interact. energy: 3.915
local terms energy: -148.188837
where:
bonds (distance) C4'-P energy: -26.244
bonds (distance) P-C4' energy: -28.366
flat angles C4'-P-C4' energy: -32.211
flat angles P-C4'-P energy: -20.224
tors. eta vs tors. theta energy: -41.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -442.259859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.259859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.259859 (E_RNA)
where:
Base-Base interactions energy: -306.474
where: short stacking energy: -130.759
Base-Backbone interact. energy: -0.302
local terms energy: -135.483244
where:
bonds (distance) C4'-P energy: -21.168
bonds (distance) P-C4' energy: -29.891
flat angles C4'-P-C4' energy: -26.558
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -39.982
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: 224
Temperature: 1.200000
Total energy: -399.135975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.135975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.135975 (E_RNA)
where:
Base-Base interactions energy: -263.294
where: short stacking energy: -108.985
Base-Backbone interact. energy: -0.235
local terms energy: -135.607105
where:
bonds (distance) C4'-P energy: -24.664
bonds (distance) P-C4' energy: -33.275
flat angles C4'-P-C4' energy: -30.111
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -34.586
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: 8, replica: 2
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -347.300493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.300493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.300493 (E_RNA)
where:
Base-Base interactions energy: -235.957
where: short stacking energy: -102.629
Base-Backbone interact. energy: -0.302
local terms energy: -111.041435
where:
bonds (distance) C4'-P energy: -22.329
bonds (distance) P-C4' energy: -26.625
flat angles C4'-P-C4' energy: -25.546
flat angles P-C4'-P energy: -12.935
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: 9, replica: 4
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -220.792500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.792500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.792500 (E_RNA)
where:
Base-Base interactions energy: -122.478
where: short stacking energy: -69.801
Base-Backbone interact. energy: -0.105
local terms energy: -98.209723
where:
bonds (distance) C4'-P energy: -23.637
bonds (distance) P-C4' energy: -26.353
flat angles C4'-P-C4' energy: -24.876
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -10.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -130.564861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.564861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.564861 (E_RNA)
where:
Base-Base interactions energy: -51.089
where: short stacking energy: -47.404
Base-Backbone interact. energy: -0.277
local terms energy: -79.198787
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -26.675
flat angles C4'-P-C4' energy: -23.345
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: 2.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -507.931676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.931676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.931676 (E_RNA)
where:
Base-Base interactions energy: -364.025
where: short stacking energy: -149.061
Base-Backbone interact. energy: -0.076
local terms energy: -143.829981
where:
bonds (distance) C4'-P energy: -20.453
bonds (distance) P-C4' energy: -32.152
flat angles C4'-P-C4' energy: -28.247
flat angles P-C4'-P energy: -24.140
tors. eta vs tors. theta energy: -38.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -523.673662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.673662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.673662 (E_RNA)
where:
Base-Base interactions energy: -364.948
where: short stacking energy: -154.406
Base-Backbone interact. energy: -0.303
local terms energy: -158.422709
where:
bonds (distance) C4'-P energy: -26.989
bonds (distance) P-C4' energy: -28.624
flat angles C4'-P-C4' energy: -29.966
flat angles P-C4'-P energy: -22.996
tors. eta vs tors. theta energy: -49.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -460.746811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.746811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.746811 (E_RNA)
where:
Base-Base interactions energy: -315.018
where: short stacking energy: -126.448
Base-Backbone interact. energy: -0.787
local terms energy: -144.942589
where:
bonds (distance) C4'-P energy: -26.872
bonds (distance) P-C4' energy: -29.301
flat angles C4'-P-C4' energy: -27.388
flat angles P-C4'-P energy: -25.716
tors. eta vs tors. theta energy: -35.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -455.469872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.469872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.469872 (E_RNA)
where:
Base-Base interactions energy: -331.534
where: short stacking energy: -133.752
Base-Backbone interact. energy: -0.754
local terms energy: -123.182407
where:
bonds (distance) C4'-P energy: -23.178
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -26.855
flat angles P-C4'-P energy: -19.676
tors. eta vs tors. theta energy: -33.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -461.076253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.076253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.076253 (E_RNA)
where:
Base-Base interactions energy: -335.760
where: short stacking energy: -144.374
Base-Backbone interact. energy: -0.496
local terms energy: -124.820247
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -27.367
flat angles P-C4'-P energy: -21.398
tors. eta vs tors. theta energy: -36.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -440.284379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.284379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.284379 (E_RNA)
where:
Base-Base interactions energy: -291.422
where: short stacking energy: -124.675
Base-Backbone interact. energy: -0.292
local terms energy: -148.570051
where:
bonds (distance) C4'-P energy: -27.605
bonds (distance) P-C4' energy: -27.458
flat angles C4'-P-C4' energy: -30.418
flat angles P-C4'-P energy: -25.965
tors. eta vs tors. theta energy: -37.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -415.404026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.404026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.404026 (E_RNA)
where:
Base-Base interactions energy: -279.176
where: short stacking energy: -119.590
Base-Backbone interact. energy: -1.505
local terms energy: -134.723516
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -32.681
flat angles C4'-P-C4' energy: -25.841
flat angles P-C4'-P energy: -22.752
tors. eta vs tors. theta energy: -33.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -351.999017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.999017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.999017 (E_RNA)
where:
Base-Base interactions energy: -229.765
where: short stacking energy: -109.853
Base-Backbone interact. energy: 1.331
local terms energy: -123.565828
where:
bonds (distance) C4'-P energy: -21.662
bonds (distance) P-C4' energy: -25.885
flat angles C4'-P-C4' energy: -24.976
flat angles P-C4'-P energy: -20.443
tors. eta vs tors. theta energy: -30.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -225.871714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.871714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.871714 (E_RNA)
where:
Base-Base interactions energy: -125.459
where: short stacking energy: -70.100
Base-Backbone interact. energy: 0.328
local terms energy: -100.740622
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -26.827
flat angles C4'-P-C4' energy: -24.903
flat angles P-C4'-P energy: -13.780
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: 10, replica: 7
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -128.215269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.215269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.215269 (E_RNA)
where:
Base-Base interactions energy: -51.314
where: short stacking energy: -50.937
Base-Backbone interact. energy: -0.397
local terms energy: -76.504979
where:
bonds (distance) C4'-P energy: -25.501
bonds (distance) P-C4' energy: -23.696
flat angles C4'-P-C4' energy: -21.548
flat angles P-C4'-P energy: -3.188
tors. eta vs tors. theta energy: -2.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -511.193571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.193571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.193571 (E_RNA)
where:
Base-Base interactions energy: -362.953
where: short stacking energy: -156.931
Base-Backbone interact. energy: 0.081
local terms energy: -148.321082
where:
bonds (distance) C4'-P energy: -21.932
bonds (distance) P-C4' energy: -27.527
flat angles C4'-P-C4' energy: -34.492
flat angles P-C4'-P energy: -24.119
tors. eta vs tors. theta energy: -40.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -519.782413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.782413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.782413 (E_RNA)
where:
Base-Base interactions energy: -358.329
where: short stacking energy: -151.399
Base-Backbone interact. energy: -0.004
local terms energy: -161.449575
where:
bonds (distance) C4'-P energy: -29.921
bonds (distance) P-C4' energy: -31.828
flat angles C4'-P-C4' energy: -28.862
flat angles P-C4'-P energy: -21.091
tors. eta vs tors. theta energy: -49.748
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: 6
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -462.428346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.428346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.428346 (E_RNA)
where:
Base-Base interactions energy: -317.860
where: short stacking energy: -132.752
Base-Backbone interact. energy: -0.135
local terms energy: -144.432439
where:
bonds (distance) C4'-P energy: -21.236
bonds (distance) P-C4' energy: -29.411
flat angles C4'-P-C4' energy: -33.367
flat angles P-C4'-P energy: -22.885
tors. eta vs tors. theta energy: -37.533
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: 10
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -453.177273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.177273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.177273 (E_RNA)
where:
Base-Base interactions energy: -328.233
where: short stacking energy: -137.016
Base-Backbone interact. energy: -0.027
local terms energy: -124.918178
where:
bonds (distance) C4'-P energy: -25.129
bonds (distance) P-C4' energy: -22.813
flat angles C4'-P-C4' energy: -26.502
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -37.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -440.737209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.737209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.737209 (E_RNA)
where:
Base-Base interactions energy: -301.614
where: short stacking energy: -128.548
Base-Backbone interact. energy: -1.412
local terms energy: -137.712096
where:
bonds (distance) C4'-P energy: -25.560
bonds (distance) P-C4' energy: -28.998
flat angles C4'-P-C4' energy: -27.699
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: -35.131
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: 9
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -448.540653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.540653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.540653 (E_RNA)
where:
Base-Base interactions energy: -310.284
where: short stacking energy: -133.681
Base-Backbone interact. energy: 1.039
local terms energy: -139.296301
where:
bonds (distance) C4'-P energy: -21.713
bonds (distance) P-C4' energy: -30.665
flat angles C4'-P-C4' energy: -30.424
flat angles P-C4'-P energy: -18.840
tors. eta vs tors. theta energy: -37.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -419.017660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.017660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.017660 (E_RNA)
where:
Base-Base interactions energy: -290.094
where: short stacking energy: -127.771
Base-Backbone interact. energy: -0.096
local terms energy: -128.827479
where:
bonds (distance) C4'-P energy: -26.820
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -29.079
flat angles P-C4'-P energy: -16.089
tors. eta vs tors. theta energy: -37.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -345.984793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.984793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.984793 (E_RNA)
where:
Base-Base interactions energy: -226.573
where: short stacking energy: -99.977
Base-Backbone interact. energy: 0.611
local terms energy: -120.022084
where:
bonds (distance) C4'-P energy: -22.512
bonds (distance) P-C4' energy: -24.485
flat angles C4'-P-C4' energy: -22.061
flat angles P-C4'-P energy: -21.579
tors. eta vs tors. theta energy: -29.385
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: 9, replica: 4
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -229.793378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.793378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.793378 (E_RNA)
where:
Base-Base interactions energy: -131.599
where: short stacking energy: -71.311
Base-Backbone interact. energy: -0.767
local terms energy: -97.426920
where:
bonds (distance) C4'-P energy: -28.760
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -26.296
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -145.628423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.628423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.628423 (E_RNA)
where:
Base-Base interactions energy: -75.233
where: short stacking energy: -61.240
Base-Backbone interact. energy: 0.802
local terms energy: -71.197625
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -14.663
tors. eta vs tors. theta energy: -7.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -484.728728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.728728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.728728 (E_RNA)
where:
Base-Base interactions energy: -337.379
where: short stacking energy: -140.861
Base-Backbone interact. energy: -0.699
local terms energy: -146.650213
where:
bonds (distance) C4'-P energy: -28.597
bonds (distance) P-C4' energy: -30.325
flat angles C4'-P-C4' energy: -33.941
flat angles P-C4'-P energy: -20.654
tors. eta vs tors. theta energy: -33.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -514.389539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.389539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.389539 (E_RNA)
where:
Base-Base interactions energy: -367.266
where: short stacking energy: -139.561
Base-Backbone interact. energy: -1.077
local terms energy: -146.047016
where:
bonds (distance) C4'-P energy: -25.279
bonds (distance) P-C4' energy: -25.685
flat angles C4'-P-C4' energy: -30.160
flat angles P-C4'-P energy: -19.311
tors. eta vs tors. theta energy: -45.612
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: 6
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -478.459336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.459336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.459336 (E_RNA)
where:
Base-Base interactions energy: -333.962
where: short stacking energy: -144.420
Base-Backbone interact. energy: -0.320
local terms energy: -144.177690
where:
bonds (distance) C4'-P energy: -25.751
bonds (distance) P-C4' energy: -24.849
flat angles C4'-P-C4' energy: -30.265
flat angles P-C4'-P energy: -22.973
tors. eta vs tors. theta energy: -40.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -473.588150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.588150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.588150 (E_RNA)
where:
Base-Base interactions energy: -329.477
where: short stacking energy: -142.128
Base-Backbone interact. energy: -0.063
local terms energy: -144.048144
where:
bonds (distance) C4'-P energy: -25.235
bonds (distance) P-C4' energy: -25.678
flat angles C4'-P-C4' energy: -32.497
flat angles P-C4'-P energy: -19.358
tors. eta vs tors. theta energy: -41.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -462.192900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.192900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.192900 (E_RNA)
where:
Base-Base interactions energy: -326.580
where: short stacking energy: -125.841
Base-Backbone interact. energy: -0.419
local terms energy: -135.193968
where:
bonds (distance) C4'-P energy: -24.501
bonds (distance) P-C4' energy: -21.758
flat angles C4'-P-C4' energy: -32.801
flat angles P-C4'-P energy: -18.325
tors. eta vs tors. theta energy: -37.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -437.588161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.588161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.588161 (E_RNA)
where:
Base-Base interactions energy: -302.070
where: short stacking energy: -125.531
Base-Backbone interact. energy: -0.245
local terms energy: -135.273038
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -30.887
flat angles C4'-P-C4' energy: -32.469
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -38.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -397.161820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.161820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.161820 (E_RNA)
where:
Base-Base interactions energy: -267.756
where: short stacking energy: -109.061
Base-Backbone interact. energy: -0.200
local terms energy: -129.206474
where:
bonds (distance) C4'-P energy: -29.208
bonds (distance) P-C4' energy: -23.385
flat angles C4'-P-C4' energy: -28.764
flat angles P-C4'-P energy: -21.188
tors. eta vs tors. theta energy: -26.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -225.725753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.725753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.725753 (E_RNA)
where:
Base-Base interactions energy: -112.901
where: short stacking energy: -64.982
Base-Backbone interact. energy: -1.178
local terms energy: -111.646772
where:
bonds (distance) C4'-P energy: -30.116
bonds (distance) P-C4' energy: -21.363
flat angles C4'-P-C4' energy: -27.820
flat angles P-C4'-P energy: -16.021
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -346.076186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.076186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.076186 (E_RNA)
where:
Base-Base interactions energy: -241.914
where: short stacking energy: -107.234
Base-Backbone interact. energy: -0.058
local terms energy: -104.105027
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -22.996
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -31.975
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: 10, replica: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -131.354157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.354157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.354157 (E_RNA)
where:
Base-Base interactions energy: -36.870
where: short stacking energy: -37.170
Base-Backbone interact. energy: -0.408
local terms energy: -94.076173
where:
bonds (distance) C4'-P energy: -27.587
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -22.619
flat angles P-C4'-P energy: -18.607
tors. eta vs tors. theta energy: -5.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -521.093769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.093769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.093769 (E_RNA)
where:
Base-Base interactions energy: -370.402
where: short stacking energy: -149.573
Base-Backbone interact. energy: -0.014
local terms energy: -150.678035
where:
bonds (distance) C4'-P energy: -26.986
bonds (distance) P-C4' energy: -27.360
flat angles C4'-P-C4' energy: -30.024
flat angles P-C4'-P energy: -21.281
tors. eta vs tors. theta energy: -45.028
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: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -493.867719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.867719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.867719 (E_RNA)
where:
Base-Base interactions energy: -333.825
where: short stacking energy: -145.991
Base-Backbone interact. energy: -0.103
local terms energy: -159.940291
where:
bonds (distance) C4'-P energy: -29.741
bonds (distance) P-C4' energy: -31.254
flat angles C4'-P-C4' energy: -34.144
flat angles P-C4'-P energy: -22.065
tors. eta vs tors. theta energy: -42.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -488.533777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.533777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.533777 (E_RNA)
where:
Base-Base interactions energy: -341.914
where: short stacking energy: -145.921
Base-Backbone interact. energy: -0.374
local terms energy: -146.245928
where:
bonds (distance) C4'-P energy: -27.897
bonds (distance) P-C4' energy: -32.393
flat angles C4'-P-C4' energy: -30.607
flat angles P-C4'-P energy: -15.802
tors. eta vs tors. theta energy: -39.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -461.368578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.368578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.368578 (E_RNA)
where:
Base-Base interactions energy: -306.765
where: short stacking energy: -142.317
Base-Backbone interact. energy: -0.169
local terms energy: -154.434948
where:
bonds (distance) C4'-P energy: -31.079
bonds (distance) P-C4' energy: -22.083
flat angles C4'-P-C4' energy: -30.101
flat angles P-C4'-P energy: -24.575
tors. eta vs tors. theta energy: -46.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -467.443240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.443240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.443240 (E_RNA)
where:
Base-Base interactions energy: -325.741
where: short stacking energy: -138.241
Base-Backbone interact. energy: 0.525
local terms energy: -142.227600
where:
bonds (distance) C4'-P energy: -23.180
bonds (distance) P-C4' energy: -27.229
flat angles C4'-P-C4' energy: -33.981
flat angles P-C4'-P energy: -19.590
tors. eta vs tors. theta energy: -38.248
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: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -442.138985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.138985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.138985 (E_RNA)
where:
Base-Base interactions energy: -311.105
where: short stacking energy: -126.165
Base-Backbone interact. energy: 0.397
local terms energy: -131.430377
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -27.005
flat angles C4'-P-C4' energy: -24.097
flat angles P-C4'-P energy: -24.089
tors. eta vs tors. theta energy: -35.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -403.315252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.315252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.315252 (E_RNA)
where:
Base-Base interactions energy: -281.710
where: short stacking energy: -113.745
Base-Backbone interact. energy: -0.336
local terms energy: -121.269514
where:
bonds (distance) C4'-P energy: -23.565
bonds (distance) P-C4' energy: -29.588
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -22.431
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: 8, replica: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -215.355862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.355862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.355862 (E_RNA)
where:
Base-Base interactions energy: -115.530
where: short stacking energy: -62.807
Base-Backbone interact. energy: 3.059
local terms energy: -102.885099
where:
bonds (distance) C4'-P energy: -20.255
bonds (distance) P-C4' energy: -29.644
flat angles C4'-P-C4' energy: -23.343
flat angles P-C4'-P energy: -15.704
tors. eta vs tors. theta energy: -13.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -323.495644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.495644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.495644 (E_RNA)
where:
Base-Base interactions energy: -205.043
where: short stacking energy: -95.015
Base-Backbone interact. energy: -0.986
local terms energy: -117.466382
where:
bonds (distance) C4'-P energy: -25.704
bonds (distance) P-C4' energy: -27.470
flat angles C4'-P-C4' energy: -24.898
flat angles P-C4'-P energy: -13.833
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: 10, replica: 7
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -128.894956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.894956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.894956 (E_RNA)
where:
Base-Base interactions energy: -43.225
where: short stacking energy: -36.960
Base-Backbone interact. energy: -0.407
local terms energy: -85.262590
where:
bonds (distance) C4'-P energy: -28.341
bonds (distance) P-C4' energy: -22.444
flat angles C4'-P-C4' energy: -21.080
flat angles P-C4'-P energy: -13.820
tors. eta vs tors. theta energy: 0.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -517.108615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.108615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.108615 (E_RNA)
where:
Base-Base interactions energy: -365.488
where: short stacking energy: -157.242
Base-Backbone interact. energy: -0.752
local terms energy: -150.868740
where:
bonds (distance) C4'-P energy: -24.786
bonds (distance) P-C4' energy: -29.211
flat angles C4'-P-C4' energy: -32.355
flat angles P-C4'-P energy: -16.999
tors. eta vs tors. theta energy: -47.518
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: 2, replica: 8
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -487.489417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.489417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.489417 (E_RNA)
where:
Base-Base interactions energy: -341.125
where: short stacking energy: -143.199
Base-Backbone interact. energy: 0.889
local terms energy: -147.252896
where:
bonds (distance) C4'-P energy: -28.959
bonds (distance) P-C4' energy: -27.530
flat angles C4'-P-C4' energy: -28.846
flat angles P-C4'-P energy: -20.469
tors. eta vs tors. theta energy: -41.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -463.926753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.926753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.926753 (E_RNA)
where:
Base-Base interactions energy: -317.776
where: short stacking energy: -137.800
Base-Backbone interact. energy: -0.407
local terms energy: -145.743885
where:
bonds (distance) C4'-P energy: -32.817
bonds (distance) P-C4' energy: -25.081
flat angles C4'-P-C4' energy: -30.720
flat angles P-C4'-P energy: -16.712
tors. eta vs tors. theta energy: -40.414
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: 229
Temperature: 1.050000
Total energy: -472.351748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.351748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.351748 (E_RNA)
where:
Base-Base interactions energy: -327.079
where: short stacking energy: -139.740
Base-Backbone interact. energy: -0.165
local terms energy: -145.108019
where:
bonds (distance) C4'-P energy: -27.695
bonds (distance) P-C4' energy: -24.874
flat angles C4'-P-C4' energy: -27.608
flat angles P-C4'-P energy: -21.441
tors. eta vs tors. theta energy: -43.491
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: 6
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -453.426094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.426094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.426094 (E_RNA)
where:
Base-Base interactions energy: -299.873
where: short stacking energy: -137.757
Base-Backbone interact. energy: -0.792
local terms energy: -152.761347
where:
bonds (distance) C4'-P energy: -26.387
bonds (distance) P-C4' energy: -24.999
flat angles C4'-P-C4' energy: -30.018
flat angles P-C4'-P energy: -25.259
tors. eta vs tors. theta energy: -46.098
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: 1
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -414.251346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.251346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.251346 (E_RNA)
where:
Base-Base interactions energy: -309.823
where: short stacking energy: -123.113
Base-Backbone interact. energy: 0.403
local terms energy: -104.831344
where:
bonds (distance) C4'-P energy: -23.186
bonds (distance) P-C4' energy: -26.697
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -24.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -424.718854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.718854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.718854 (E_RNA)
where:
Base-Base interactions energy: -294.701
where: short stacking energy: -127.157
Base-Backbone interact. energy: 0.139
local terms energy: -130.157305
where:
bonds (distance) C4'-P energy: -19.464
bonds (distance) P-C4' energy: -28.336
flat angles C4'-P-C4' energy: -21.535
flat angles P-C4'-P energy: -23.715
tors. eta vs tors. theta energy: -37.106
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: 2
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -336.143063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.143063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.143063 (E_RNA)
where:
Base-Base interactions energy: -206.602
where: short stacking energy: -97.355
Base-Backbone interact. energy: -0.698
local terms energy: -128.842836
where:
bonds (distance) C4'-P energy: -30.327
bonds (distance) P-C4' energy: -23.622
flat angles C4'-P-C4' energy: -26.964
flat angles P-C4'-P energy: -17.767
tors. eta vs tors. theta energy: -30.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -216.921440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.921440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.921440 (E_RNA)
where:
Base-Base interactions energy: -114.301
where: short stacking energy: -63.703
Base-Backbone interact. energy: -0.234
local terms energy: -102.386998
where:
bonds (distance) C4'-P energy: -23.101
bonds (distance) P-C4' energy: -29.073
flat angles C4'-P-C4' energy: -26.979
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: -8.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -133.514467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.514467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.514467 (E_RNA)
where:
Base-Base interactions energy: -43.505
where: short stacking energy: -33.832
Base-Backbone interact. energy: -0.615
local terms energy: -89.393974
where:
bonds (distance) C4'-P energy: -29.313
bonds (distance) P-C4' energy: -30.683
flat angles C4'-P-C4' energy: -27.491
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: 6.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -521.546324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.546324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.546324 (E_RNA)
where:
Base-Base interactions energy: -362.746
where: short stacking energy: -150.590
Base-Backbone interact. energy: -1.121
local terms energy: -157.679073
where:
bonds (distance) C4'-P energy: -25.470
bonds (distance) P-C4' energy: -32.264
flat angles C4'-P-C4' energy: -30.769
flat angles P-C4'-P energy: -24.371
tors. eta vs tors. theta energy: -44.806
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: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -495.882063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.882063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.882063 (E_RNA)
where:
Base-Base interactions energy: -345.902
where: short stacking energy: -144.082
Base-Backbone interact. energy: -0.054
local terms energy: -149.925709
where:
bonds (distance) C4'-P energy: -28.883
bonds (distance) P-C4' energy: -27.370
flat angles C4'-P-C4' energy: -32.461
flat angles P-C4'-P energy: -18.804
tors. eta vs tors. theta energy: -42.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -483.920236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.920236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.920236 (E_RNA)
where:
Base-Base interactions energy: -338.329
where: short stacking energy: -144.466
Base-Backbone interact. energy: -0.585
local terms energy: -145.007152
where:
bonds (distance) C4'-P energy: -22.188
bonds (distance) P-C4' energy: -30.599
flat angles C4'-P-C4' energy: -31.030
flat angles P-C4'-P energy: -22.542
tors. eta vs tors. theta energy: -38.647
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: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -465.640471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.640471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.640471 (E_RNA)
where:
Base-Base interactions energy: -332.190
where: short stacking energy: -135.871
Base-Backbone interact. energy: -0.709
local terms energy: -132.741249
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -29.409
flat angles C4'-P-C4' energy: -29.270
flat angles P-C4'-P energy: -16.514
tors. eta vs tors. theta energy: -39.035
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: 6
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -449.338869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.338869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.338869 (E_RNA)
where:
Base-Base interactions energy: -310.309
where: short stacking energy: -145.054
Base-Backbone interact. energy: 0.401
local terms energy: -139.431617
where:
bonds (distance) C4'-P energy: -25.182
bonds (distance) P-C4' energy: -19.351
flat angles C4'-P-C4' energy: -28.581
flat angles P-C4'-P energy: -18.934
tors. eta vs tors. theta energy: -47.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -393.998482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.998482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.998482 (E_RNA)
where:
Base-Base interactions energy: -268.352
where: short stacking energy: -116.361
Base-Backbone interact. energy: -0.094
local terms energy: -125.551831
where:
bonds (distance) C4'-P energy: -23.311
bonds (distance) P-C4' energy: -24.536
flat angles C4'-P-C4' energy: -27.733
flat angles P-C4'-P energy: -15.573
tors. eta vs tors. theta energy: -34.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -415.059040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.059040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.059040 (E_RNA)
where:
Base-Base interactions energy: -290.507
where: short stacking energy: -111.963
Base-Backbone interact. energy: 2.167
local terms energy: -126.719423
where:
bonds (distance) C4'-P energy: -24.966
bonds (distance) P-C4' energy: -24.764
flat angles C4'-P-C4' energy: -25.750
flat angles P-C4'-P energy: -22.248
tors. eta vs tors. theta energy: -28.991
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: 2
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -318.042028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.042028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.042028 (E_RNA)
where:
Base-Base interactions energy: -224.091
where: short stacking energy: -95.407
Base-Backbone interact. energy: -0.314
local terms energy: -93.636587
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -21.894
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -17.420
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: 9, replica: 4
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -190.358910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.358910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.358910 (E_RNA)
where:
Base-Base interactions energy: -87.338
where: short stacking energy: -48.173
Base-Backbone interact. energy: 0.843
local terms energy: -103.864643
where:
bonds (distance) C4'-P energy: -29.858
bonds (distance) P-C4' energy: -29.007
flat angles C4'-P-C4' energy: -25.278
flat angles P-C4'-P energy: -15.367
tors. eta vs tors. theta energy: -4.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -145.292294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.292294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.292294 (E_RNA)
where:
Base-Base interactions energy: -55.844
where: short stacking energy: -33.330
Base-Backbone interact. energy: -0.112
local terms energy: -89.336404
where:
bonds (distance) C4'-P energy: -19.848
bonds (distance) P-C4' energy: -33.331
flat angles C4'-P-C4' energy: -22.951
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -3.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -525.671451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.671451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.671451 (E_RNA)
where:
Base-Base interactions energy: -367.795
where: short stacking energy: -164.789
Base-Backbone interact. energy: -0.005
local terms energy: -157.871522
where:
bonds (distance) C4'-P energy: -28.532
bonds (distance) P-C4' energy: -28.006
flat angles C4'-P-C4' energy: -29.155
flat angles P-C4'-P energy: -24.048
tors. eta vs tors. theta energy: -48.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -474.921498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.921498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.921498 (E_RNA)
where:
Base-Base interactions energy: -332.576
where: short stacking energy: -143.372
Base-Backbone interact. energy: 0.234
local terms energy: -142.579712
where:
bonds (distance) C4'-P energy: -27.953
bonds (distance) P-C4' energy: -25.219
flat angles C4'-P-C4' energy: -30.891
flat angles P-C4'-P energy: -18.875
tors. eta vs tors. theta energy: -39.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -511.996593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.996593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.996593 (E_RNA)
where:
Base-Base interactions energy: -365.161
where: short stacking energy: -153.392
Base-Backbone interact. energy: -0.170
local terms energy: -146.666117
where:
bonds (distance) C4'-P energy: -28.734
bonds (distance) P-C4' energy: -26.535
flat angles C4'-P-C4' energy: -31.659
flat angles P-C4'-P energy: -16.494
tors. eta vs tors. theta energy: -43.244
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: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -461.594134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.594134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.594134 (E_RNA)
where:
Base-Base interactions energy: -312.532
where: short stacking energy: -141.326
Base-Backbone interact. energy: -0.688
local terms energy: -148.374306
where:
bonds (distance) C4'-P energy: -24.579
bonds (distance) P-C4' energy: -32.357
flat angles C4'-P-C4' energy: -30.431
flat angles P-C4'-P energy: -22.306
tors. eta vs tors. theta energy: -38.701
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: 6
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -449.924939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.924939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.924939 (E_RNA)
where:
Base-Base interactions energy: -310.075
where: short stacking energy: -135.563
Base-Backbone interact. energy: -0.646
local terms energy: -139.203818
where:
bonds (distance) C4'-P energy: -22.674
bonds (distance) P-C4' energy: -27.359
flat angles C4'-P-C4' energy: -26.903
flat angles P-C4'-P energy: -20.400
tors. eta vs tors. theta energy: -41.867
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: 231
Temperature: 1.150000
Total energy: -424.119317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.119317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.119317 (E_RNA)
where:
Base-Base interactions energy: -301.951
where: short stacking energy: -128.485
Base-Backbone interact. energy: -0.790
local terms energy: -121.378638
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -29.268
flat angles C4'-P-C4' energy: -26.766
flat angles P-C4'-P energy: -14.662
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: 7, replica: 1
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -393.446072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.446072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.446072 (E_RNA)
where:
Base-Base interactions energy: -271.385
where: short stacking energy: -115.978
Base-Backbone interact. energy: -0.142
local terms energy: -121.919576
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -33.768
flat angles C4'-P-C4' energy: -25.728
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -27.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -328.731375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.731375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.731375 (E_RNA)
where:
Base-Base interactions energy: -221.799
where: short stacking energy: -96.799
Base-Backbone interact. energy: -0.325
local terms energy: -106.607238
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -24.348
flat angles P-C4'-P energy: -16.246
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: 9, replica: 4
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -200.161744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.161744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.161744 (E_RNA)
where:
Base-Base interactions energy: -114.904
where: short stacking energy: -64.516
Base-Backbone interact. energy: -0.574
local terms energy: -84.683321
where:
bonds (distance) C4'-P energy: -21.984
bonds (distance) P-C4' energy: -31.534
flat angles C4'-P-C4' energy: -22.815
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -2.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -135.593059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.593059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.593059 (E_RNA)
where:
Base-Base interactions energy: -40.001
where: short stacking energy: -30.057
Base-Backbone interact. energy: -2.194
local terms energy: -93.397952
where:
bonds (distance) C4'-P energy: -24.669
bonds (distance) P-C4' energy: -30.325
flat angles C4'-P-C4' energy: -24.987
flat angles P-C4'-P energy: -14.078
tors. eta vs tors. theta energy: 0.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -526.114502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.114502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.114502 (E_RNA)
where:
Base-Base interactions energy: -382.344
where: short stacking energy: -150.298
Base-Backbone interact. energy: -0.770
local terms energy: -143.000122
where:
bonds (distance) C4'-P energy: -25.284
bonds (distance) P-C4' energy: -25.128
flat angles C4'-P-C4' energy: -31.602
flat angles P-C4'-P energy: -19.050
tors. eta vs tors. theta energy: -41.936
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: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -492.159780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.159780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.159780 (E_RNA)
where:
Base-Base interactions energy: -344.642
where: short stacking energy: -139.556
Base-Backbone interact. energy: -0.161
local terms energy: -147.356484
where:
bonds (distance) C4'-P energy: -28.479
bonds (distance) P-C4' energy: -29.493
flat angles C4'-P-C4' energy: -35.537
flat angles P-C4'-P energy: -14.693
tors. eta vs tors. theta energy: -39.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -467.851094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.851094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.851094 (E_RNA)
where:
Base-Base interactions energy: -324.373
where: short stacking energy: -134.753
Base-Backbone interact. energy: -3.022
local terms energy: -140.456714
where:
bonds (distance) C4'-P energy: -31.885
bonds (distance) P-C4' energy: -24.349
flat angles C4'-P-C4' energy: -27.188
flat angles P-C4'-P energy: -17.918
tors. eta vs tors. theta energy: -39.117
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: 4, replica: 8
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -474.539546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.539546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.539546 (E_RNA)
where:
Base-Base interactions energy: -329.534
where: short stacking energy: -140.734
Base-Backbone interact. energy: -0.054
local terms energy: -144.952328
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -27.793
flat angles C4'-P-C4' energy: -32.566
flat angles P-C4'-P energy: -21.225
tors. eta vs tors. theta energy: -42.321
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: 232
Temperature: 1.100000
Total energy: -446.738943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.738943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.738943 (E_RNA)
where:
Base-Base interactions energy: -304.686
where: short stacking energy: -140.364
Base-Backbone interact. energy: -0.402
local terms energy: -141.650845
where:
bonds (distance) C4'-P energy: -25.465
bonds (distance) P-C4' energy: -24.551
flat angles C4'-P-C4' energy: -31.077
flat angles P-C4'-P energy: -18.349
tors. eta vs tors. theta energy: -42.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -426.253993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.253993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.253993 (E_RNA)
where:
Base-Base interactions energy: -300.992
where: short stacking energy: -123.943
Base-Backbone interact. energy: -1.004
local terms energy: -124.257296
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -26.887
flat angles C4'-P-C4' energy: -27.933
flat angles P-C4'-P energy: -19.330
tors. eta vs tors. theta energy: -33.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -386.594840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.594840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.594840 (E_RNA)
where:
Base-Base interactions energy: -272.120
where: short stacking energy: -111.725
Base-Backbone interact. energy: -0.181
local terms energy: -114.293850
where:
bonds (distance) C4'-P energy: -25.998
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -26.038
flat angles P-C4'-P energy: -13.510
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: 8, replica: 2
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -349.955546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.955546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.955546 (E_RNA)
where:
Base-Base interactions energy: -229.707
where: short stacking energy: -93.554
Base-Backbone interact. energy: -0.148
local terms energy: -120.101267
where:
bonds (distance) C4'-P energy: -22.762
bonds (distance) P-C4' energy: -27.144
flat angles C4'-P-C4' energy: -28.347
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -26.084
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: 7
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -159.153186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.153186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.153186 (E_RNA)
where:
Base-Base interactions energy: -72.933
where: short stacking energy: -60.869
Base-Backbone interact. energy: -0.311
local terms energy: -85.909392
where:
bonds (distance) C4'-P energy: -21.636
bonds (distance) P-C4' energy: -26.336
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -196.376482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.376482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.376482 (E_RNA)
where:
Base-Base interactions energy: -103.366
where: short stacking energy: -53.576
Base-Backbone interact. energy: -0.664
local terms energy: -92.346394
where:
bonds (distance) C4'-P energy: -24.682
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -26.855
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -9.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -526.581070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.581070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.581070 (E_RNA)
where:
Base-Base interactions energy: -364.060
where: short stacking energy: -159.698
Base-Backbone interact. energy: -0.198
local terms energy: -162.323189
where:
bonds (distance) C4'-P energy: -31.398
bonds (distance) P-C4' energy: -32.278
flat angles C4'-P-C4' energy: -32.202
flat angles P-C4'-P energy: -20.433
tors. eta vs tors. theta energy: -46.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -480.233805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.233805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.233805 (E_RNA)
where:
Base-Base interactions energy: -343.137
where: short stacking energy: -131.544
Base-Backbone interact. energy: -0.198
local terms energy: -136.898552
where:
bonds (distance) C4'-P energy: -31.378
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -27.815
flat angles P-C4'-P energy: -20.497
tors. eta vs tors. theta energy: -39.670
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: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -467.828400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.828400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.828400 (E_RNA)
where:
Base-Base interactions energy: -312.690
where: short stacking energy: -138.588
Base-Backbone interact. energy: -0.512
local terms energy: -154.626520
where:
bonds (distance) C4'-P energy: -31.111
bonds (distance) P-C4' energy: -31.301
flat angles C4'-P-C4' energy: -34.473
flat angles P-C4'-P energy: -19.677
tors. eta vs tors. theta energy: -38.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -489.343993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.343993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.343993 (E_RNA)
where:
Base-Base interactions energy: -342.748
where: short stacking energy: -140.387
Base-Backbone interact. energy: -0.394
local terms energy: -146.202836
where:
bonds (distance) C4'-P energy: -24.462
bonds (distance) P-C4' energy: -26.866
flat angles C4'-P-C4' energy: -32.391
flat angles P-C4'-P energy: -22.283
tors. eta vs tors. theta energy: -40.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -446.821149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.821149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.821149 (E_RNA)
where:
Base-Base interactions energy: -308.699
where: short stacking energy: -138.453
Base-Backbone interact. energy: -0.182
local terms energy: -137.940506
where:
bonds (distance) C4'-P energy: -26.943
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -32.481
flat angles P-C4'-P energy: -17.248
tors. eta vs tors. theta energy: -45.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -428.485246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.485246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.485246 (E_RNA)
where:
Base-Base interactions energy: -292.287
where: short stacking energy: -125.970
Base-Backbone interact. energy: -1.130
local terms energy: -135.067927
where:
bonds (distance) C4'-P energy: -27.312
bonds (distance) P-C4' energy: -23.794
flat angles C4'-P-C4' energy: -27.256
flat angles P-C4'-P energy: -21.021
tors. eta vs tors. theta energy: -35.684
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: 7, replica: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -391.491769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.491769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.491769 (E_RNA)
where:
Base-Base interactions energy: -272.951
where: short stacking energy: -110.224
Base-Backbone interact. energy: 1.122
local terms energy: -119.662846
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -31.443
flat angles C4'-P-C4' energy: -32.377
flat angles P-C4'-P energy: -15.613
tors. eta vs tors. theta energy: -24.993
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: 2
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -336.648109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.648109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.648109 (E_RNA)
where:
Base-Base interactions energy: -228.487
where: short stacking energy: -96.561
Base-Backbone interact. energy: -0.685
local terms energy: -107.476028
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -29.440
flat angles C4'-P-C4' energy: -26.867
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -19.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -131.400723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.400723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.400723 (E_RNA)
where:
Base-Base interactions energy: -48.550
where: short stacking energy: -48.591
Base-Backbone interact. energy: -0.459
local terms energy: -82.390907
where:
bonds (distance) C4'-P energy: -22.249
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -28.081
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -2.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -197.209701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.209701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.209701 (E_RNA)
where:
Base-Base interactions energy: -121.687
where: short stacking energy: -71.077
Base-Backbone interact. energy: -0.184
local terms energy: -75.338732
where:
bonds (distance) C4'-P energy: -22.488
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -20.836
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -8.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -529.233048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.233048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.233048 (E_RNA)
where:
Base-Base interactions energy: -371.613
where: short stacking energy: -162.567
Base-Backbone interact. energy: -0.018
local terms energy: -157.601393
where:
bonds (distance) C4'-P energy: -30.324
bonds (distance) P-C4' energy: -28.247
flat angles C4'-P-C4' energy: -31.490
flat angles P-C4'-P energy: -19.030
tors. eta vs tors. theta energy: -48.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -487.113235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.113235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.113235 (E_RNA)
where:
Base-Base interactions energy: -339.818
where: short stacking energy: -145.269
Base-Backbone interact. energy: -0.196
local terms energy: -147.098854
where:
bonds (distance) C4'-P energy: -27.216
bonds (distance) P-C4' energy: -28.803
flat angles C4'-P-C4' energy: -31.760
flat angles P-C4'-P energy: -15.052
tors. eta vs tors. theta energy: -44.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -477.665148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.665148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.665148 (E_RNA)
where:
Base-Base interactions energy: -339.671
where: short stacking energy: -141.279
Base-Backbone interact. energy: -0.148
local terms energy: -137.845689
where:
bonds (distance) C4'-P energy: -28.898
bonds (distance) P-C4' energy: -28.474
flat angles C4'-P-C4' energy: -26.694
flat angles P-C4'-P energy: -17.536
tors. eta vs tors. theta energy: -36.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -449.637924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.637924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.637924 (E_RNA)
where:
Base-Base interactions energy: -314.738
where: short stacking energy: -134.228
Base-Backbone interact. energy: -0.825
local terms energy: -134.075309
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -27.299
flat angles C4'-P-C4' energy: -31.542
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -40.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -442.941621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.941621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.941621 (E_RNA)
where:
Base-Base interactions energy: -310.888
where: short stacking energy: -123.894
Base-Backbone interact. energy: -0.353
local terms energy: -131.700737
where:
bonds (distance) C4'-P energy: -28.078
bonds (distance) P-C4' energy: -26.312
flat angles C4'-P-C4' energy: -28.379
flat angles P-C4'-P energy: -19.025
tors. eta vs tors. theta energy: -29.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -438.263481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.263481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.263481 (E_RNA)
where:
Base-Base interactions energy: -310.425
where: short stacking energy: -146.116
Base-Backbone interact. energy: 0.692
local terms energy: -128.530197
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -27.230
flat angles P-C4'-P energy: -20.514
tors. eta vs tors. theta energy: -38.629
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: 2
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -346.511131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.511131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.511131 (E_RNA)
where:
Base-Base interactions energy: -225.859
where: short stacking energy: -100.531
Base-Backbone interact. energy: -0.724
local terms energy: -119.928685
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -32.031
flat angles C4'-P-C4' energy: -27.301
flat angles P-C4'-P energy: -17.310
tors. eta vs tors. theta energy: -23.182
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: 1
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -391.203267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.203267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.203267 (E_RNA)
where:
Base-Base interactions energy: -283.996
where: short stacking energy: -126.884
Base-Backbone interact. energy: -1.450
local terms energy: -105.757087
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -19.505
flat angles P-C4'-P energy: -16.922
tors. eta vs tors. theta energy: -32.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -234.230825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.230825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.230825 (E_RNA)
where:
Base-Base interactions energy: -121.911
where: short stacking energy: -73.735
Base-Backbone interact. energy: -1.018
local terms energy: -111.301803
where:
bonds (distance) C4'-P energy: -30.412
bonds (distance) P-C4' energy: -29.317
flat angles C4'-P-C4' energy: -20.719
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -16.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -146.980586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.980586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.980586 (E_RNA)
where:
Base-Base interactions energy: -66.432
where: short stacking energy: -37.119
Base-Backbone interact. energy: -0.649
local terms energy: -79.899525
where:
bonds (distance) C4'-P energy: -19.933
bonds (distance) P-C4' energy: -20.843
flat angles C4'-P-C4' energy: -28.973
flat angles P-C4'-P energy: -12.369
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: 1, replica: 5
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -519.606210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.606210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.606210 (E_RNA)
where:
Base-Base interactions energy: -361.638
where: short stacking energy: -158.642
Base-Backbone interact. energy: -0.084
local terms energy: -157.884129
where:
bonds (distance) C4'-P energy: -24.464
bonds (distance) P-C4' energy: -30.348
flat angles C4'-P-C4' energy: -33.945
flat angles P-C4'-P energy: -25.171
tors. eta vs tors. theta energy: -43.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -487.811581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.811581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.811581 (E_RNA)
where:
Base-Base interactions energy: -332.879
where: short stacking energy: -147.644
Base-Backbone interact. energy: -0.077
local terms energy: -154.855387
where:
bonds (distance) C4'-P energy: -30.523
bonds (distance) P-C4' energy: -28.853
flat angles C4'-P-C4' energy: -31.840
flat angles P-C4'-P energy: -24.457
tors. eta vs tors. theta energy: -39.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -479.206113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.206113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.206113 (E_RNA)
where:
Base-Base interactions energy: -335.030
where: short stacking energy: -139.367
Base-Backbone interact. energy: -0.905
local terms energy: -143.270329
where:
bonds (distance) C4'-P energy: -29.009
bonds (distance) P-C4' energy: -26.502
flat angles C4'-P-C4' energy: -28.316
flat angles P-C4'-P energy: -17.996
tors. eta vs tors. theta energy: -41.447
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: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -454.911058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.911058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.911058 (E_RNA)
where:
Base-Base interactions energy: -311.325
where: short stacking energy: -127.680
Base-Backbone interact. energy: -0.804
local terms energy: -142.782911
where:
bonds (distance) C4'-P energy: -25.353
bonds (distance) P-C4' energy: -31.534
flat angles C4'-P-C4' energy: -27.557
flat angles P-C4'-P energy: -21.450
tors. eta vs tors. theta energy: -36.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -447.381784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.381784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.381784 (E_RNA)
where:
Base-Base interactions energy: -297.186
where: short stacking energy: -137.756
Base-Backbone interact. energy: -0.311
local terms energy: -149.884669
where:
bonds (distance) C4'-P energy: -21.842
bonds (distance) P-C4' energy: -31.464
flat angles C4'-P-C4' energy: -31.535
flat angles P-C4'-P energy: -20.131
tors. eta vs tors. theta energy: -44.912
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: 6, replica: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -459.207989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.207989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.207989 (E_RNA)
where:
Base-Base interactions energy: -313.270
where: short stacking energy: -136.175
Base-Backbone interact. energy: -0.004
local terms energy: -145.933872
where:
bonds (distance) C4'-P energy: -23.105
bonds (distance) P-C4' energy: -26.266
flat angles C4'-P-C4' energy: -33.505
flat angles P-C4'-P energy: -22.233
tors. eta vs tors. theta energy: -40.824
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: 2
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -358.221129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.221129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.221129 (E_RNA)
where:
Base-Base interactions energy: -245.057
where: short stacking energy: -105.026
Base-Backbone interact. energy: 0.146
local terms energy: -113.310464
where:
bonds (distance) C4'-P energy: -26.012
bonds (distance) P-C4' energy: -27.730
flat angles C4'-P-C4' energy: -21.841
flat angles P-C4'-P energy: -11.843
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: 8, replica: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -384.301122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.301122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.301122 (E_RNA)
where:
Base-Base interactions energy: -263.613
where: short stacking energy: -111.316
Base-Backbone interact. energy: -0.946
local terms energy: -119.741805
where:
bonds (distance) C4'-P energy: -29.203
bonds (distance) P-C4' energy: -20.966
flat angles C4'-P-C4' energy: -27.260
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -27.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -218.051131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.051131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.051131 (E_RNA)
where:
Base-Base interactions energy: -109.808
where: short stacking energy: -69.243
Base-Backbone interact. energy: -0.766
local terms energy: -107.477649
where:
bonds (distance) C4'-P energy: -30.013
bonds (distance) P-C4' energy: -28.595
flat angles C4'-P-C4' energy: -27.994
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -11.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -131.332225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.332225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.332225 (E_RNA)
where:
Base-Base interactions energy: -34.777
where: short stacking energy: -35.877
Base-Backbone interact. energy: -0.093
local terms energy: -96.461418
where:
bonds (distance) C4'-P energy: -30.681
bonds (distance) P-C4' energy: -23.622
flat angles C4'-P-C4' energy: -28.356
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: 0.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -521.383611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.383611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.383611 (E_RNA)
where:
Base-Base interactions energy: -372.803
where: short stacking energy: -132.008
Base-Backbone interact. energy: -0.206
local terms energy: -148.374195
where:
bonds (distance) C4'-P energy: -31.389
bonds (distance) P-C4' energy: -29.649
flat angles C4'-P-C4' energy: -29.809
flat angles P-C4'-P energy: -21.735
tors. eta vs tors. theta energy: -35.792
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: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -492.750045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.750045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.750045 (E_RNA)
where:
Base-Base interactions energy: -339.520
where: short stacking energy: -153.902
Base-Backbone interact. energy: -0.653
local terms energy: -152.576408
where:
bonds (distance) C4'-P energy: -26.964
bonds (distance) P-C4' energy: -29.750
flat angles C4'-P-C4' energy: -33.572
flat angles P-C4'-P energy: -17.953
tors. eta vs tors. theta energy: -44.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -459.858449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.858449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.858449 (E_RNA)
where:
Base-Base interactions energy: -319.105
where: short stacking energy: -134.435
Base-Backbone interact. energy: -0.144
local terms energy: -140.610104
where:
bonds (distance) C4'-P energy: -25.589
bonds (distance) P-C4' energy: -32.362
flat angles C4'-P-C4' energy: -26.693
flat angles P-C4'-P energy: -20.745
tors. eta vs tors. theta energy: -35.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -462.871349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.871349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.871349 (E_RNA)
where:
Base-Base interactions energy: -329.067
where: short stacking energy: -144.936
Base-Backbone interact. energy: -0.090
local terms energy: -133.714194
where:
bonds (distance) C4'-P energy: -28.545
bonds (distance) P-C4' energy: -23.102
flat angles C4'-P-C4' energy: -26.394
flat angles P-C4'-P energy: -17.727
tors. eta vs tors. theta energy: -37.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -437.524433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.524433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.524433 (E_RNA)
where:
Base-Base interactions energy: -286.680
where: short stacking energy: -129.476
Base-Backbone interact. energy: -1.051
local terms energy: -149.793549
where:
bonds (distance) C4'-P energy: -23.073
bonds (distance) P-C4' energy: -27.643
flat angles C4'-P-C4' energy: -34.061
flat angles P-C4'-P energy: -22.699
tors. eta vs tors. theta energy: -42.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -430.943691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.943691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.943691 (E_RNA)
where:
Base-Base interactions energy: -293.945
where: short stacking energy: -136.285
Base-Backbone interact. energy: -0.034
local terms energy: -136.964484
where:
bonds (distance) C4'-P energy: -22.282
bonds (distance) P-C4' energy: -23.800
flat angles C4'-P-C4' energy: -30.883
flat angles P-C4'-P energy: -20.795
tors. eta vs tors. theta energy: -39.204
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: 1
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -421.741971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.741971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.741971 (E_RNA)
where:
Base-Base interactions energy: -297.169
where: short stacking energy: -121.426
Base-Backbone interact. energy: -0.640
local terms energy: -123.932462
where:
bonds (distance) C4'-P energy: -21.591
bonds (distance) P-C4' energy: -26.365
flat angles C4'-P-C4' energy: -21.095
flat angles P-C4'-P energy: -21.936
tors. eta vs tors. theta energy: -32.946
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: 8, replica: 2
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -339.582324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.582324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.582324 (E_RNA)
where:
Base-Base interactions energy: -224.466
where: short stacking energy: -94.271
Base-Backbone interact. energy: -1.343
local terms energy: -113.772580
where:
bonds (distance) C4'-P energy: -25.953
bonds (distance) P-C4' energy: -31.228
flat angles C4'-P-C4' energy: -20.064
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -21.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -210.123707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.123707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.123707 (E_RNA)
where:
Base-Base interactions energy: -120.627
where: short stacking energy: -59.341
Base-Backbone interact. energy: -0.847
local terms energy: -88.649782
where:
bonds (distance) C4'-P energy: -24.981
bonds (distance) P-C4' energy: -20.568
flat angles C4'-P-C4' energy: -21.449
flat angles P-C4'-P energy: -18.725
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: 10, replica: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -132.747136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.747136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.747136 (E_RNA)
where:
Base-Base interactions energy: -45.752
where: short stacking energy: -44.487
Base-Backbone interact. energy: -0.276
local terms energy: -86.719248
where:
bonds (distance) C4'-P energy: -23.834
bonds (distance) P-C4' energy: -26.735
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -17.148
tors. eta vs tors. theta energy: -0.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -523.038703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.038703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.038703 (E_RNA)
where:
Base-Base interactions energy: -365.205
where: short stacking energy: -145.375
Base-Backbone interact. energy: -0.407
local terms energy: -157.427112
where:
bonds (distance) C4'-P energy: -32.449
bonds (distance) P-C4' energy: -33.624
flat angles C4'-P-C4' energy: -30.356
flat angles P-C4'-P energy: -22.094
tors. eta vs tors. theta energy: -38.905
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: 8
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -495.119003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.119003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.119003 (E_RNA)
where:
Base-Base interactions energy: -350.138
where: short stacking energy: -147.360
Base-Backbone interact. energy: -0.684
local terms energy: -144.297048
where:
bonds (distance) C4'-P energy: -22.144
bonds (distance) P-C4' energy: -30.033
flat angles C4'-P-C4' energy: -33.521
flat angles P-C4'-P energy: -15.989
tors. eta vs tors. theta energy: -42.609
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: 3, replica: 10
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -454.650144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.650144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.650144 (E_RNA)
where:
Base-Base interactions energy: -313.189
where: short stacking energy: -137.311
Base-Backbone interact. energy: -1.139
local terms energy: -140.322129
where:
bonds (distance) C4'-P energy: -25.816
bonds (distance) P-C4' energy: -25.648
flat angles C4'-P-C4' energy: -32.032
flat angles P-C4'-P energy: -18.201
tors. eta vs tors. theta energy: -38.625
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: 9
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -468.673505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.673505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.673505 (E_RNA)
where:
Base-Base interactions energy: -324.889
where: short stacking energy: -143.384
Base-Backbone interact. energy: -0.301
local terms energy: -143.483964
where:
bonds (distance) C4'-P energy: -25.995
bonds (distance) P-C4' energy: -25.568
flat angles C4'-P-C4' energy: -29.165
flat angles P-C4'-P energy: -23.058
tors. eta vs tors. theta energy: -39.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -445.672331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.672331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.672331 (E_RNA)
where:
Base-Base interactions energy: -314.133
where: short stacking energy: -144.588
Base-Backbone interact. energy: -0.345
local terms energy: -131.194072
where:
bonds (distance) C4'-P energy: -21.596
bonds (distance) P-C4' energy: -25.028
flat angles C4'-P-C4' energy: -29.476
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -41.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -439.450990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.450990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.450990 (E_RNA)
where:
Base-Base interactions energy: -300.858
where: short stacking energy: -137.300
Base-Backbone interact. energy: -0.177
local terms energy: -138.416499
where:
bonds (distance) C4'-P energy: -23.130
bonds (distance) P-C4' energy: -23.602
flat angles C4'-P-C4' energy: -27.229
flat angles P-C4'-P energy: -20.372
tors. eta vs tors. theta energy: -44.083
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: 1
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -394.254351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.254351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.254351 (E_RNA)
where:
Base-Base interactions energy: -277.382
where: short stacking energy: -120.359
Base-Backbone interact. energy: -0.382
local terms energy: -116.490722
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -23.185
flat angles C4'-P-C4' energy: -29.410
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -32.909
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: 4
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -216.865468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.865468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.865468 (E_RNA)
where:
Base-Base interactions energy: -117.752
where: short stacking energy: -51.654
Base-Backbone interact. energy: 1.058
local terms energy: -100.171362
where:
bonds (distance) C4'-P energy: -27.236
bonds (distance) P-C4' energy: -28.738
flat angles C4'-P-C4' energy: -29.025
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -2.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -320.156854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.156854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.156854 (E_RNA)
where:
Base-Base interactions energy: -214.755
where: short stacking energy: -85.900
Base-Backbone interact. energy: 2.874
local terms energy: -108.275935
where:
bonds (distance) C4'-P energy: -21.172
bonds (distance) P-C4' energy: -26.798
flat angles C4'-P-C4' energy: -23.551
flat angles P-C4'-P energy: -15.341
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: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -134.981251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.981251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.981251 (E_RNA)
where:
Base-Base interactions energy: -41.479
where: short stacking energy: -33.473
Base-Backbone interact. energy: -0.372
local terms energy: -93.130139
where:
bonds (distance) C4'-P energy: -22.729
bonds (distance) P-C4' energy: -30.940
flat angles C4'-P-C4' energy: -25.937
flat angles P-C4'-P energy: -17.937
tors. eta vs tors. theta energy: 4.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -522.748428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.748428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.748428 (E_RNA)
where:
Base-Base interactions energy: -373.166
where: short stacking energy: -135.401
Base-Backbone interact. energy: 0.608
local terms energy: -150.189829
where:
bonds (distance) C4'-P energy: -22.649
bonds (distance) P-C4' energy: -33.687
flat angles C4'-P-C4' energy: -31.551
flat angles P-C4'-P energy: -24.169
tors. eta vs tors. theta energy: -38.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -486.547507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.547507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.547507 (E_RNA)
where:
Base-Base interactions energy: -336.851
where: short stacking energy: -140.355
Base-Backbone interact. energy: -0.569
local terms energy: -149.127243
where:
bonds (distance) C4'-P energy: -28.848
bonds (distance) P-C4' energy: -32.031
flat angles C4'-P-C4' energy: -32.606
flat angles P-C4'-P energy: -20.010
tors. eta vs tors. theta energy: -35.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -470.225088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.225088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.225088 (E_RNA)
where:
Base-Base interactions energy: -329.457
where: short stacking energy: -138.414
Base-Backbone interact. energy: -0.682
local terms energy: -140.086268
where:
bonds (distance) C4'-P energy: -27.921
bonds (distance) P-C4' energy: -25.522
flat angles C4'-P-C4' energy: -32.394
flat angles P-C4'-P energy: -19.693
tors. eta vs tors. theta energy: -34.556
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: 10
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -458.188903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.188903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.188903 (E_RNA)
where:
Base-Base interactions energy: -315.135
where: short stacking energy: -140.959
Base-Backbone interact. energy: -0.326
local terms energy: -142.727229
where:
bonds (distance) C4'-P energy: -25.093
bonds (distance) P-C4' energy: -28.705
flat angles C4'-P-C4' energy: -34.278
flat angles P-C4'-P energy: -17.005
tors. eta vs tors. theta energy: -37.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -419.534914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.534914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.534914 (E_RNA)
where:
Base-Base interactions energy: -285.486
where: short stacking energy: -120.450
Base-Backbone interact. energy: -0.227
local terms energy: -133.821820
where:
bonds (distance) C4'-P energy: -25.315
bonds (distance) P-C4' energy: -26.678
flat angles C4'-P-C4' energy: -30.651
flat angles P-C4'-P energy: -21.644
tors. eta vs tors. theta energy: -29.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -424.368352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.368352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.368352 (E_RNA)
where:
Base-Base interactions energy: -286.230
where: short stacking energy: -130.820
Base-Backbone interact. energy: -0.055
local terms energy: -138.083595
where:
bonds (distance) C4'-P energy: -22.688
bonds (distance) P-C4' energy: -26.420
flat angles C4'-P-C4' energy: -28.362
flat angles P-C4'-P energy: -21.871
tors. eta vs tors. theta energy: -38.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -400.436674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.436674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.436674 (E_RNA)
where:
Base-Base interactions energy: -277.750
where: short stacking energy: -120.998
Base-Backbone interact. energy: -0.212
local terms energy: -122.475044
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -24.280
flat angles C4'-P-C4' energy: -33.582
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -31.674
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: 4
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -217.019412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.019412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.019412 (E_RNA)
where:
Base-Base interactions energy: -117.740
where: short stacking energy: -70.955
Base-Backbone interact. energy: -0.644
local terms energy: -98.635525
where:
bonds (distance) C4'-P energy: -23.312
bonds (distance) P-C4' energy: -23.029
flat angles C4'-P-C4' energy: -25.263
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -13.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -346.766187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.766187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.766187 (E_RNA)
where:
Base-Base interactions energy: -212.040
where: short stacking energy: -95.381
Base-Backbone interact. energy: -0.050
local terms energy: -134.676692
where:
bonds (distance) C4'-P energy: -21.945
bonds (distance) P-C4' energy: -29.837
flat angles C4'-P-C4' energy: -24.388
flat angles P-C4'-P energy: -24.185
tors. eta vs tors. theta energy: -34.322
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: 10, replica: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -153.492404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.492404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.492404 (E_RNA)
where:
Base-Base interactions energy: -67.891
where: short stacking energy: -56.251
Base-Backbone interact. energy: 0.981
local terms energy: -86.582373
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -22.003
flat angles C4'-P-C4' energy: -24.792
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: -5.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -525.825612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.825612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.825612 (E_RNA)
where:
Base-Base interactions energy: -374.799
where: short stacking energy: -145.047
Base-Backbone interact. energy: -0.053
local terms energy: -150.973808
where:
bonds (distance) C4'-P energy: -26.164
bonds (distance) P-C4' energy: -29.541
flat angles C4'-P-C4' energy: -31.453
flat angles P-C4'-P energy: -21.026
tors. eta vs tors. theta energy: -42.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -481.264677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.264677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.264677 (E_RNA)
where:
Base-Base interactions energy: -339.303
where: short stacking energy: -139.376
Base-Backbone interact. energy: -0.104
local terms energy: -141.858069
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -24.969
flat angles C4'-P-C4' energy: -30.074
flat angles P-C4'-P energy: -25.113
tors. eta vs tors. theta energy: -41.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -463.580699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.580699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.580699 (E_RNA)
where:
Base-Base interactions energy: -319.085
where: short stacking energy: -136.904
Base-Backbone interact. energy: -0.169
local terms energy: -144.326841
where:
bonds (distance) C4'-P energy: -30.379
bonds (distance) P-C4' energy: -26.542
flat angles C4'-P-C4' energy: -31.825
flat angles P-C4'-P energy: -22.084
tors. eta vs tors. theta energy: -33.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -467.414098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.414098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.414098 (E_RNA)
where:
Base-Base interactions energy: -326.945
where: short stacking energy: -143.041
Base-Backbone interact. energy: -0.282
local terms energy: -140.187036
where:
bonds (distance) C4'-P energy: -25.443
bonds (distance) P-C4' energy: -25.006
flat angles C4'-P-C4' energy: -28.264
flat angles P-C4'-P energy: -21.452
tors. eta vs tors. theta energy: -40.022
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: 6
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -424.379717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.379717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.379717 (E_RNA)
where:
Base-Base interactions energy: -288.730
where: short stacking energy: -127.614
Base-Backbone interact. energy: -1.134
local terms energy: -134.515772
where:
bonds (distance) C4'-P energy: -24.060
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -27.856
flat angles P-C4'-P energy: -24.991
tors. eta vs tors. theta energy: -37.163
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: 1
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -425.251270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.251270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.251270 (E_RNA)
where:
Base-Base interactions energy: -289.964
where: short stacking energy: -121.365
Base-Backbone interact. energy: -1.451
local terms energy: -133.836277
where:
bonds (distance) C4'-P energy: -25.143
bonds (distance) P-C4' energy: -26.162
flat angles C4'-P-C4' energy: -30.038
flat angles P-C4'-P energy: -19.469
tors. eta vs tors. theta energy: -33.025
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: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -430.111700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.111700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.111700 (E_RNA)
where:
Base-Base interactions energy: -291.173
where: short stacking energy: -124.169
Base-Backbone interact. energy: -0.088
local terms energy: -138.850425
where:
bonds (distance) C4'-P energy: -24.321
bonds (distance) P-C4' energy: -27.760
flat angles C4'-P-C4' energy: -25.869
flat angles P-C4'-P energy: -19.858
tors. eta vs tors. theta energy: -41.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -339.385114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.385114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.385114 (E_RNA)
where:
Base-Base interactions energy: -230.133
where: short stacking energy: -100.214
Base-Backbone interact. energy: -0.763
local terms energy: -108.488614
where:
bonds (distance) C4'-P energy: -23.543
bonds (distance) P-C4' energy: -21.873
flat angles C4'-P-C4' energy: -26.767
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -24.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -195.558985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.558985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.558985 (E_RNA)
where:
Base-Base interactions energy: -108.872
where: short stacking energy: -60.729
Base-Backbone interact. energy: -1.237
local terms energy: -85.449434
where:
bonds (distance) C4'-P energy: -23.752
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -10.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -131.373455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.373455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.373455 (E_RNA)
where:
Base-Base interactions energy: -36.263
where: short stacking energy: -35.497
Base-Backbone interact. energy: -0.773
local terms energy: -94.338030
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -27.536
flat angles C4'-P-C4' energy: -23.984
flat angles P-C4'-P energy: -16.491
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: 1, replica: 5
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -520.322921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.322921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.322921 (E_RNA)
where:
Base-Base interactions energy: -365.947
where: short stacking energy: -149.677
Base-Backbone interact. energy: -0.043
local terms energy: -154.332580
where:
bonds (distance) C4'-P energy: -29.500
bonds (distance) P-C4' energy: -30.026
flat angles C4'-P-C4' energy: -27.518
flat angles P-C4'-P energy: -23.453
tors. eta vs tors. theta energy: -43.836
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: 2, replica: 8
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -494.148035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.148035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.148035 (E_RNA)
where:
Base-Base interactions energy: -344.929
where: short stacking energy: -143.021
Base-Backbone interact. energy: -1.664
local terms energy: -147.555661
where:
bonds (distance) C4'-P energy: -32.398
bonds (distance) P-C4' energy: -26.146
flat angles C4'-P-C4' energy: -28.858
flat angles P-C4'-P energy: -20.953
tors. eta vs tors. theta energy: -39.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -476.111475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.111475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.111475 (E_RNA)
where:
Base-Base interactions energy: -327.289
where: short stacking energy: -148.686
Base-Backbone interact. energy: -0.045
local terms energy: -148.777343
where:
bonds (distance) C4'-P energy: -23.831
bonds (distance) P-C4' energy: -27.093
flat angles C4'-P-C4' energy: -30.906
flat angles P-C4'-P energy: -21.794
tors. eta vs tors. theta energy: -45.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -475.274379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.274379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.274379 (E_RNA)
where:
Base-Base interactions energy: -337.992
where: short stacking energy: -137.730
Base-Backbone interact. energy: -0.724
local terms energy: -136.558647
where:
bonds (distance) C4'-P energy: -26.426
bonds (distance) P-C4' energy: -24.349
flat angles C4'-P-C4' energy: -26.363
flat angles P-C4'-P energy: -20.179
tors. eta vs tors. theta energy: -39.241
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: 1
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -438.151652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.151652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.151652 (E_RNA)
where:
Base-Base interactions energy: -309.818
where: short stacking energy: -133.253
Base-Backbone interact. energy: 0.470
local terms energy: -128.803778
where:
bonds (distance) C4'-P energy: -26.612
bonds (distance) P-C4' energy: -24.730
flat angles C4'-P-C4' energy: -27.355
flat angles P-C4'-P energy: -16.413
tors. eta vs tors. theta energy: -33.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -394.446380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.446380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.446380 (E_RNA)
where:
Base-Base interactions energy: -282.574
where: short stacking energy: -113.108
Base-Backbone interact. energy: 0.160
local terms energy: -112.032163
where:
bonds (distance) C4'-P energy: -22.286
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -25.977
flat angles P-C4'-P energy: -18.396
tors. eta vs tors. theta energy: -27.219
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: 3
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -416.130670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.130670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.130670 (E_RNA)
where:
Base-Base interactions energy: -282.919
where: short stacking energy: -120.433
Base-Backbone interact. energy: -0.580
local terms energy: -132.631121
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -29.210
flat angles C4'-P-C4' energy: -29.930
flat angles P-C4'-P energy: -19.630
tors. eta vs tors. theta energy: -36.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -324.139768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.139768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.139768 (E_RNA)
where:
Base-Base interactions energy: -218.199
where: short stacking energy: -93.407
Base-Backbone interact. energy: -0.013
local terms energy: -105.928457
where:
bonds (distance) C4'-P energy: -19.749
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -20.406
flat angles P-C4'-P energy: -17.972
tors. eta vs tors. theta energy: -27.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -206.498404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.498404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.498404 (E_RNA)
where:
Base-Base interactions energy: -106.881
where: short stacking energy: -58.054
Base-Backbone interact. energy: -0.147
local terms energy: -99.470041
where:
bonds (distance) C4'-P energy: -24.554
bonds (distance) P-C4' energy: -32.616
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -15.515
tors. eta vs tors. theta energy: -9.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -135.358489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.358489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.358489 (E_RNA)
where:
Base-Base interactions energy: -48.581
where: short stacking energy: -46.228
Base-Backbone interact. energy: -0.389
local terms energy: -86.388885
where:
bonds (distance) C4'-P energy: -24.267
bonds (distance) P-C4' energy: -23.427
flat angles C4'-P-C4' energy: -27.200
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -0.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -520.330216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.330216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.330216 (E_RNA)
where:
Base-Base interactions energy: -367.345
where: short stacking energy: -144.716
Base-Backbone interact. energy: -0.320
local terms energy: -152.665045
where:
bonds (distance) C4'-P energy: -27.630
bonds (distance) P-C4' energy: -31.229
flat angles C4'-P-C4' energy: -30.205
flat angles P-C4'-P energy: -20.603
tors. eta vs tors. theta energy: -42.998
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: 10
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -489.993434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.993434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.993434 (E_RNA)
where:
Base-Base interactions energy: -335.927
where: short stacking energy: -149.516
Base-Backbone interact. energy: -1.114
local terms energy: -152.952989
where:
bonds (distance) C4'-P energy: -25.149
bonds (distance) P-C4' energy: -29.068
flat angles C4'-P-C4' energy: -33.194
flat angles P-C4'-P energy: -22.227
tors. eta vs tors. theta energy: -43.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -478.385622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.385622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.385622 (E_RNA)
where:
Base-Base interactions energy: -337.252
where: short stacking energy: -143.201
Base-Backbone interact. energy: 0.131
local terms energy: -141.264318
where:
bonds (distance) C4'-P energy: -22.128
bonds (distance) P-C4' energy: -26.300
flat angles C4'-P-C4' energy: -29.296
flat angles P-C4'-P energy: -20.617
tors. eta vs tors. theta energy: -42.924
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: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -452.370603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.370603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.370603 (E_RNA)
where:
Base-Base interactions energy: -328.887
where: short stacking energy: -126.037
Base-Backbone interact. energy: -1.150
local terms energy: -122.332901
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -23.869
flat angles C4'-P-C4' energy: -30.637
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -31.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -472.483846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.483846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.483846 (E_RNA)
where:
Base-Base interactions energy: -333.996
where: short stacking energy: -136.008
Base-Backbone interact. energy: -0.025
local terms energy: -138.463264
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -28.040
flat angles C4'-P-C4' energy: -29.363
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -40.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -454.754430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.754430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.754430 (E_RNA)
where:
Base-Base interactions energy: -323.235
where: short stacking energy: -131.440
Base-Backbone interact. energy: -0.108
local terms energy: -131.411312
where:
bonds (distance) C4'-P energy: -26.811
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -26.204
flat angles P-C4'-P energy: -16.308
tors. eta vs tors. theta energy: -41.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -367.694911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.694911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.694911 (E_RNA)
where:
Base-Base interactions energy: -256.051
where: short stacking energy: -112.518
Base-Backbone interact. energy: -0.156
local terms energy: -111.487612
where:
bonds (distance) C4'-P energy: -26.072
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -27.021
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -30.132
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: 4
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -220.967477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.967477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.967477 (E_RNA)
where:
Base-Base interactions energy: -128.632
where: short stacking energy: -64.622
Base-Backbone interact. energy: -1.102
local terms energy: -91.233180
where:
bonds (distance) C4'-P energy: -22.565
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -26.722
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -7.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -315.554630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.554630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.554630 (E_RNA)
where:
Base-Base interactions energy: -213.029
where: short stacking energy: -97.465
Base-Backbone interact. energy: 2.858
local terms energy: -105.384281
where:
bonds (distance) C4'-P energy: -25.447
bonds (distance) P-C4' energy: -24.063
flat angles C4'-P-C4' energy: -22.372
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -19.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -143.394880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.394880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.394880 (E_RNA)
where:
Base-Base interactions energy: -55.343
where: short stacking energy: -51.369
Base-Backbone interact. energy: -0.616
local terms energy: -87.435992
where:
bonds (distance) C4'-P energy: -18.988
bonds (distance) P-C4' energy: -31.557
flat angles C4'-P-C4' energy: -24.205
flat angles P-C4'-P energy: -4.426
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: 1, replica: 5
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -525.581268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.581268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.581268 (E_RNA)
where:
Base-Base interactions energy: -372.146
where: short stacking energy: -144.450
Base-Backbone interact. energy: -0.162
local terms energy: -153.273795
where:
bonds (distance) C4'-P energy: -27.762
bonds (distance) P-C4' energy: -27.721
flat angles C4'-P-C4' energy: -30.292
flat angles P-C4'-P energy: -25.927
tors. eta vs tors. theta energy: -41.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -481.689878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.689878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.689878 (E_RNA)
where:
Base-Base interactions energy: -319.651
where: short stacking energy: -140.087
Base-Backbone interact. energy: -0.766
local terms energy: -161.273330
where:
bonds (distance) C4'-P energy: -32.216
bonds (distance) P-C4' energy: -28.552
flat angles C4'-P-C4' energy: -34.187
flat angles P-C4'-P energy: -26.677
tors. eta vs tors. theta energy: -39.642
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: 8
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -486.120043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.120043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.120043 (E_RNA)
where:
Base-Base interactions energy: -341.477
where: short stacking energy: -147.799
Base-Backbone interact. energy: -0.032
local terms energy: -144.611515
where:
bonds (distance) C4'-P energy: -22.614
bonds (distance) P-C4' energy: -25.120
flat angles C4'-P-C4' energy: -31.682
flat angles P-C4'-P energy: -24.128
tors. eta vs tors. theta energy: -41.067
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: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -459.928703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.928703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.928703 (E_RNA)
where:
Base-Base interactions energy: -304.394
where: short stacking energy: -122.537
Base-Backbone interact. energy: 0.582
local terms energy: -156.117069
where:
bonds (distance) C4'-P energy: -30.683
bonds (distance) P-C4' energy: -32.143
flat angles C4'-P-C4' energy: -31.972
flat angles P-C4'-P energy: -22.270
tors. eta vs tors. theta energy: -39.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -475.884829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.884829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.884829 (E_RNA)
where:
Base-Base interactions energy: -331.072
where: short stacking energy: -127.992
Base-Backbone interact. energy: -0.324
local terms energy: -144.489255
where:
bonds (distance) C4'-P energy: -28.279
bonds (distance) P-C4' energy: -27.686
flat angles C4'-P-C4' energy: -31.505
flat angles P-C4'-P energy: -23.597
tors. eta vs tors. theta energy: -33.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -423.752215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.752215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.752215 (E_RNA)
where:
Base-Base interactions energy: -284.810
where: short stacking energy: -124.858
Base-Backbone interact. energy: -0.637
local terms energy: -138.305389
where:
bonds (distance) C4'-P energy: -23.009
bonds (distance) P-C4' energy: -25.007
flat angles C4'-P-C4' energy: -29.689
flat angles P-C4'-P energy: -23.497
tors. eta vs tors. theta energy: -37.103
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: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -377.874689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.874689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.874689 (E_RNA)
where:
Base-Base interactions energy: -253.166
where: short stacking energy: -96.463
Base-Backbone interact. energy: -0.738
local terms energy: -123.970989
where:
bonds (distance) C4'-P energy: -25.156
bonds (distance) P-C4' energy: -28.133
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -19.297
tors. eta vs tors. theta energy: -31.976
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: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -247.825689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.825689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.825689 (E_RNA)
where:
Base-Base interactions energy: -152.750
where: short stacking energy: -74.912
Base-Backbone interact. energy: -0.804
local terms energy: -94.271108
where:
bonds (distance) C4'-P energy: -19.916
bonds (distance) P-C4' energy: -32.232
flat angles C4'-P-C4' energy: -23.135
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -11.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -307.033364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.033364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.033364 (E_RNA)
where:
Base-Base interactions energy: -202.085
where: short stacking energy: -89.804
Base-Backbone interact. energy: -0.063
local terms energy: -104.885808
where:
bonds (distance) C4'-P energy: -21.486
bonds (distance) P-C4' energy: -24.654
flat angles C4'-P-C4' energy: -25.704
flat angles P-C4'-P energy: -15.450
tors. eta vs tors. theta energy: -17.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -137.028060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.028060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.028060 (E_RNA)
where:
Base-Base interactions energy: -45.620
where: short stacking energy: -45.620
Base-Backbone interact. energy: 0.400
local terms energy: -91.808060
where:
bonds (distance) C4'-P energy: -22.604
bonds (distance) P-C4' energy: -30.024
flat angles C4'-P-C4' energy: -23.372
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -3.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -524.573052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.573052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.573052 (E_RNA)
where:
Base-Base interactions energy: -374.497
where: short stacking energy: -139.710
Base-Backbone interact. energy: -0.184
local terms energy: -149.892535
where:
bonds (distance) C4'-P energy: -26.753
bonds (distance) P-C4' energy: -30.443
flat angles C4'-P-C4' energy: -29.252
flat angles P-C4'-P energy: -21.120
tors. eta vs tors. theta energy: -42.324
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: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -489.983534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.983534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.983534 (E_RNA)
where:
Base-Base interactions energy: -333.009
where: short stacking energy: -133.180
Base-Backbone interact. energy: 0.268
local terms energy: -157.242508
where:
bonds (distance) C4'-P energy: -24.676
bonds (distance) P-C4' energy: -30.812
flat angles C4'-P-C4' energy: -32.671
flat angles P-C4'-P energy: -30.029
tors. eta vs tors. theta energy: -39.055
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: 10
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -487.456478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.456478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.456478 (E_RNA)
where:
Base-Base interactions energy: -340.763
where: short stacking energy: -139.446
Base-Backbone interact. energy: -0.495
local terms energy: -146.198560
where:
bonds (distance) C4'-P energy: -23.307
bonds (distance) P-C4' energy: -28.966
flat angles C4'-P-C4' energy: -33.527
flat angles P-C4'-P energy: -22.659
tors. eta vs tors. theta energy: -37.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -471.319548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.319548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.319548 (E_RNA)
where:
Base-Base interactions energy: -340.833
where: short stacking energy: -133.966
Base-Backbone interact. energy: -0.064
local terms energy: -130.423305
where:
bonds (distance) C4'-P energy: -27.177
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -32.271
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -33.037
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: 1
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -446.405870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.405870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.405870 (E_RNA)
where:
Base-Base interactions energy: -314.579
where: short stacking energy: -133.165
Base-Backbone interact. energy: -0.877
local terms energy: -130.949328
where:
bonds (distance) C4'-P energy: -19.060
bonds (distance) P-C4' energy: -22.906
flat angles C4'-P-C4' energy: -31.157
flat angles P-C4'-P energy: -22.480
tors. eta vs tors. theta energy: -35.347
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: 6, replica: 6
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -424.985093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.985093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.985093 (E_RNA)
where:
Base-Base interactions energy: -299.618
where: short stacking energy: -133.872
Base-Backbone interact. energy: -0.356
local terms energy: -125.011628
where:
bonds (distance) C4'-P energy: -26.933
bonds (distance) P-C4' energy: -27.172
flat angles C4'-P-C4' energy: -22.262
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -37.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -418.150970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.150970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.150970 (E_RNA)
where:
Base-Base interactions energy: -288.540
where: short stacking energy: -126.967
Base-Backbone interact. energy: -0.710
local terms energy: -128.900920
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -24.531
flat angles C4'-P-C4' energy: -28.493
flat angles P-C4'-P energy: -18.808
tors. eta vs tors. theta energy: -39.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -340.374832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.374832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.374832 (E_RNA)
where:
Base-Base interactions energy: -225.114
where: short stacking energy: -107.330
Base-Backbone interact. energy: -0.040
local terms energy: -115.220927
where:
bonds (distance) C4'-P energy: -19.228
bonds (distance) P-C4' energy: -29.911
flat angles C4'-P-C4' energy: -25.960
flat angles P-C4'-P energy: -16.606
tors. eta vs tors. theta energy: -23.516
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: 4
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -215.559353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.559353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.559353 (E_RNA)
where:
Base-Base interactions energy: -119.260
where: short stacking energy: -64.838
Base-Backbone interact. energy: -0.677
local terms energy: -95.622554
where:
bonds (distance) C4'-P energy: -24.945
bonds (distance) P-C4' energy: -22.893
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -135.607814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.607814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.607814 (E_RNA)
where:
Base-Base interactions energy: -51.163
where: short stacking energy: -51.163
Base-Backbone interact. energy: -1.048
local terms energy: -83.397061
where:
bonds (distance) C4'-P energy: -23.925
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: -1.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -519.926992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.926992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.926992 (E_RNA)
where:
Base-Base interactions energy: -373.531
where: short stacking energy: -132.476
Base-Backbone interact. energy: -0.823
local terms energy: -145.572787
where:
bonds (distance) C4'-P energy: -28.660
bonds (distance) P-C4' energy: -25.819
flat angles C4'-P-C4' energy: -28.851
flat angles P-C4'-P energy: -24.591
tors. eta vs tors. theta energy: -37.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -485.559451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.559451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.559451 (E_RNA)
where:
Base-Base interactions energy: -340.577
where: short stacking energy: -146.706
Base-Backbone interact. energy: -0.330
local terms energy: -144.652853
where:
bonds (distance) C4'-P energy: -27.531
bonds (distance) P-C4' energy: -26.071
flat angles C4'-P-C4' energy: -30.175
flat angles P-C4'-P energy: -23.644
tors. eta vs tors. theta energy: -37.232
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: 10
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -467.676313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.676313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.676313 (E_RNA)
where:
Base-Base interactions energy: -329.399
where: short stacking energy: -144.920
Base-Backbone interact. energy: -1.080
local terms energy: -137.196591
where:
bonds (distance) C4'-P energy: -27.178
bonds (distance) P-C4' energy: -22.049
flat angles C4'-P-C4' energy: -29.984
flat angles P-C4'-P energy: -20.055
tors. eta vs tors. theta energy: -37.931
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: 4, replica: 9
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -475.064836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.064836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.064836 (E_RNA)
where:
Base-Base interactions energy: -336.961
where: short stacking energy: -141.648
Base-Backbone interact. energy: -1.472
local terms energy: -136.632245
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -25.115
flat angles C4'-P-C4' energy: -28.384
flat angles P-C4'-P energy: -20.909
tors. eta vs tors. theta energy: -39.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -437.208820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.208820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.208820 (E_RNA)
where:
Base-Base interactions energy: -306.344
where: short stacking energy: -127.751
Base-Backbone interact. energy: 0.809
local terms energy: -131.674156
where:
bonds (distance) C4'-P energy: -26.271
bonds (distance) P-C4' energy: -25.010
flat angles C4'-P-C4' energy: -27.921
flat angles P-C4'-P energy: -17.216
tors. eta vs tors. theta energy: -35.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -441.760845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.760845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.760845 (E_RNA)
where:
Base-Base interactions energy: -302.806
where: short stacking energy: -137.052
Base-Backbone interact. energy: -1.523
local terms energy: -137.431435
where:
bonds (distance) C4'-P energy: -26.487
bonds (distance) P-C4' energy: -25.059
flat angles C4'-P-C4' energy: -28.778
flat angles P-C4'-P energy: -19.505
tors. eta vs tors. theta energy: -37.602
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: 244
Temperature: 1.200000
Total energy: -427.529941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.529941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.529941 (E_RNA)
where:
Base-Base interactions energy: -300.096
where: short stacking energy: -128.536
Base-Backbone interact. energy: -0.727
local terms energy: -126.707319
where:
bonds (distance) C4'-P energy: -17.583
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -29.848
flat angles P-C4'-P energy: -16.631
tors. eta vs tors. theta energy: -41.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -343.177900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.177900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.177900 (E_RNA)
where:
Base-Base interactions energy: -231.215
where: short stacking energy: -102.721
Base-Backbone interact. energy: -0.422
local terms energy: -111.541372
where:
bonds (distance) C4'-P energy: -20.495
bonds (distance) P-C4' energy: -26.886
flat angles C4'-P-C4' energy: -25.040
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -24.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -233.351498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.351498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.351498 (E_RNA)
where:
Base-Base interactions energy: -136.275
where: short stacking energy: -72.554
Base-Backbone interact. energy: 0.398
local terms energy: -97.474886
where:
bonds (distance) C4'-P energy: -21.350
bonds (distance) P-C4' energy: -27.452
flat angles C4'-P-C4' energy: -22.355
flat angles P-C4'-P energy: -15.647
tors. eta vs tors. theta energy: -10.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -148.906651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.906651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.906651 (E_RNA)
where:
Base-Base interactions energy: -54.539
where: short stacking energy: -50.591
Base-Backbone interact. energy: -0.179
local terms energy: -94.188657
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -29.407
flat angles C4'-P-C4' energy: -26.011
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -2.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -528.815769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.815769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.815769 (E_RNA)
where:
Base-Base interactions energy: -370.321
where: short stacking energy: -151.051
Base-Backbone interact. energy: -0.094
local terms energy: -158.401276
where:
bonds (distance) C4'-P energy: -33.438
bonds (distance) P-C4' energy: -28.601
flat angles C4'-P-C4' energy: -33.168
flat angles P-C4'-P energy: -19.008
tors. eta vs tors. theta energy: -44.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -496.553116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.553116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.553116 (E_RNA)
where:
Base-Base interactions energy: -355.681
where: short stacking energy: -151.805
Base-Backbone interact. energy: -0.058
local terms energy: -140.814431
where:
bonds (distance) C4'-P energy: -26.039
bonds (distance) P-C4' energy: -26.535
flat angles C4'-P-C4' energy: -27.361
flat angles P-C4'-P energy: -19.001
tors. eta vs tors. theta energy: -41.879
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: 10
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -479.241672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.241672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.241672 (E_RNA)
where:
Base-Base interactions energy: -330.214
where: short stacking energy: -143.540
Base-Backbone interact. energy: -0.752
local terms energy: -148.275375
where:
bonds (distance) C4'-P energy: -25.190
bonds (distance) P-C4' energy: -25.991
flat angles C4'-P-C4' energy: -31.758
flat angles P-C4'-P energy: -21.887
tors. eta vs tors. theta energy: -43.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -492.353403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.353403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.353403 (E_RNA)
where:
Base-Base interactions energy: -346.058
where: short stacking energy: -141.130
Base-Backbone interact. energy: -0.547
local terms energy: -145.747662
where:
bonds (distance) C4'-P energy: -25.928
bonds (distance) P-C4' energy: -29.320
flat angles C4'-P-C4' energy: -34.376
flat angles P-C4'-P energy: -16.693
tors. eta vs tors. theta energy: -39.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -454.484312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.484312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.484312 (E_RNA)
where:
Base-Base interactions energy: -309.959
where: short stacking energy: -126.521
Base-Backbone interact. energy: -1.155
local terms energy: -143.369673
where:
bonds (distance) C4'-P energy: -29.190
bonds (distance) P-C4' energy: -24.641
flat angles C4'-P-C4' energy: -27.609
flat angles P-C4'-P energy: -21.715
tors. eta vs tors. theta energy: -40.216
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: 6
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -428.947180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.947180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.947180 (E_RNA)
where:
Base-Base interactions energy: -294.281
where: short stacking energy: -133.336
Base-Backbone interact. energy: -0.597
local terms energy: -134.069532
where:
bonds (distance) C4'-P energy: -19.587
bonds (distance) P-C4' energy: -28.608
flat angles C4'-P-C4' energy: -29.055
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -42.046
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: 3
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -443.768121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.768121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.768121 (E_RNA)
where:
Base-Base interactions energy: -307.527
where: short stacking energy: -141.791
Base-Backbone interact. energy: -0.386
local terms energy: -135.855300
where:
bonds (distance) C4'-P energy: -29.827
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -26.146
flat angles P-C4'-P energy: -17.680
tors. eta vs tors. theta energy: -39.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -347.453788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.453788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.453788 (E_RNA)
where:
Base-Base interactions energy: -220.396
where: short stacking energy: -99.716
Base-Backbone interact. energy: -0.741
local terms energy: -126.317278
where:
bonds (distance) C4'-P energy: -27.927
bonds (distance) P-C4' energy: -25.076
flat angles C4'-P-C4' energy: -29.818
flat angles P-C4'-P energy: -17.455
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: 9, replica: 4
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -245.584340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.584340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.584340 (E_RNA)
where:
Base-Base interactions energy: -142.960
where: short stacking energy: -78.783
Base-Backbone interact. energy: -0.945
local terms energy: -101.679641
where:
bonds (distance) C4'-P energy: -24.858
bonds (distance) P-C4' energy: -27.423
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -14.693
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: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -138.289645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.289645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.289645 (E_RNA)
where:
Base-Base interactions energy: -39.253
where: short stacking energy: -38.807
Base-Backbone interact. energy: -0.382
local terms energy: -98.653889
where:
bonds (distance) C4'-P energy: -32.495
bonds (distance) P-C4' energy: -29.613
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -16.537
tors. eta vs tors. theta energy: -1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -506.914551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.914551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.914551 (E_RNA)
where:
Base-Base interactions energy: -351.060
where: short stacking energy: -148.659
Base-Backbone interact. energy: -0.005
local terms energy: -155.850330
where:
bonds (distance) C4'-P energy: -31.352
bonds (distance) P-C4' energy: -28.345
flat angles C4'-P-C4' energy: -33.176
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -45.966
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: 246
Temperature: 0.950000
Total energy: -516.685622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.685622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.685622 (E_RNA)
where:
Base-Base interactions energy: -362.284
where: short stacking energy: -149.648
Base-Backbone interact. energy: -0.060
local terms energy: -154.341871
where:
bonds (distance) C4'-P energy: -29.670
bonds (distance) P-C4' energy: -25.634
flat angles C4'-P-C4' energy: -34.846
flat angles P-C4'-P energy: -18.892
tors. eta vs tors. theta energy: -45.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -486.600224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.600224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.600224 (E_RNA)
where:
Base-Base interactions energy: -343.342
where: short stacking energy: -149.953
Base-Backbone interact. energy: -0.015
local terms energy: -143.243673
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -28.597
flat angles C4'-P-C4' energy: -34.684
flat angles P-C4'-P energy: -23.129
tors. eta vs tors. theta energy: -39.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -464.008004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.008004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.008004 (E_RNA)
where:
Base-Base interactions energy: -321.821
where: short stacking energy: -137.273
Base-Backbone interact. energy: -0.090
local terms energy: -142.096309
where:
bonds (distance) C4'-P energy: -28.365
bonds (distance) P-C4' energy: -27.150
flat angles C4'-P-C4' energy: -27.295
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -44.218
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: 5, replica: 1
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -426.546020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.546020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.546020 (E_RNA)
where:
Base-Base interactions energy: -308.632
where: short stacking energy: -119.591
Base-Backbone interact. energy: 0.398
local terms energy: -118.312192
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -25.588
flat angles C4'-P-C4' energy: -22.667
flat angles P-C4'-P energy: -24.363
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: 6, replica: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -439.576446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.576446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.576446 (E_RNA)
where:
Base-Base interactions energy: -304.764
where: short stacking energy: -137.385
Base-Backbone interact. energy: -0.189
local terms energy: -134.623164
where:
bonds (distance) C4'-P energy: -30.845
bonds (distance) P-C4' energy: -21.987
flat angles C4'-P-C4' energy: -28.568
flat angles P-C4'-P energy: -17.476
tors. eta vs tors. theta energy: -35.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -406.822675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.822675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.822675 (E_RNA)
where:
Base-Base interactions energy: -288.410
where: short stacking energy: -117.023
Base-Backbone interact. energy: -0.084
local terms energy: -118.329497
where:
bonds (distance) C4'-P energy: -18.792
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -29.343
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: -33.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -320.895977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.895977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.895977 (E_RNA)
where:
Base-Base interactions energy: -203.761
where: short stacking energy: -77.126
Base-Backbone interact. energy: -0.068
local terms energy: -117.066801
where:
bonds (distance) C4'-P energy: -21.374
bonds (distance) P-C4' energy: -31.254
flat angles C4'-P-C4' energy: -23.388
flat angles P-C4'-P energy: -20.167
tors. eta vs tors. theta energy: -20.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -213.089343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.089343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.089343 (E_RNA)
where:
Base-Base interactions energy: -121.609
where: short stacking energy: -66.227
Base-Backbone interact. energy: 0.957
local terms energy: -92.437495
where:
bonds (distance) C4'-P energy: -22.489
bonds (distance) P-C4' energy: -23.412
flat angles C4'-P-C4' energy: -24.102
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -9.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -134.788282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.788282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.788282 (E_RNA)
where:
Base-Base interactions energy: -39.293
where: short stacking energy: -38.682
Base-Backbone interact. energy: 0.116
local terms energy: -95.611221
where:
bonds (distance) C4'-P energy: -27.117
bonds (distance) P-C4' energy: -31.693
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -15.784
tors. eta vs tors. theta energy: -1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -500.258941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.258941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.258941 (E_RNA)
where:
Base-Base interactions energy: -352.308
where: short stacking energy: -150.833
Base-Backbone interact. energy: -0.077
local terms energy: -147.874011
where:
bonds (distance) C4'-P energy: -26.432
bonds (distance) P-C4' energy: -32.122
flat angles C4'-P-C4' energy: -26.488
flat angles P-C4'-P energy: -23.445
tors. eta vs tors. theta energy: -39.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -514.645924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.645924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.645924 (E_RNA)
where:
Base-Base interactions energy: -366.482
where: short stacking energy: -141.551
Base-Backbone interact. energy: 0.406
local terms energy: -148.570663
where:
bonds (distance) C4'-P energy: -29.140
bonds (distance) P-C4' energy: -27.983
flat angles C4'-P-C4' energy: -30.875
flat angles P-C4'-P energy: -17.788
tors. eta vs tors. theta energy: -42.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -467.711656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.711656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.711656 (E_RNA)
where:
Base-Base interactions energy: -325.855
where: short stacking energy: -128.958
Base-Backbone interact. energy: -0.794
local terms energy: -141.061897
where:
bonds (distance) C4'-P energy: -19.743
bonds (distance) P-C4' energy: -30.275
flat angles C4'-P-C4' energy: -29.457
flat angles P-C4'-P energy: -24.644
tors. eta vs tors. theta energy: -36.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -459.903187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.903187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.903187 (E_RNA)
where:
Base-Base interactions energy: -333.989
where: short stacking energy: -139.264
Base-Backbone interact. energy: 0.079
local terms energy: -125.994150
where:
bonds (distance) C4'-P energy: -23.738
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -28.580
flat angles P-C4'-P energy: -15.082
tors. eta vs tors. theta energy: -34.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -447.193179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.193179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.193179 (E_RNA)
where:
Base-Base interactions energy: -301.509
where: short stacking energy: -137.693
Base-Backbone interact. energy: 0.594
local terms energy: -146.278411
where:
bonds (distance) C4'-P energy: -24.475
bonds (distance) P-C4' energy: -27.562
flat angles C4'-P-C4' energy: -30.134
flat angles P-C4'-P energy: -24.545
tors. eta vs tors. theta energy: -39.561
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: 3
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -429.224756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.224756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.224756 (E_RNA)
where:
Base-Base interactions energy: -295.951
where: short stacking energy: -123.658
Base-Backbone interact. energy: -1.373
local terms energy: -131.900559
where:
bonds (distance) C4'-P energy: -27.301
bonds (distance) P-C4' energy: -26.262
flat angles C4'-P-C4' energy: -30.217
flat angles P-C4'-P energy: -17.316
tors. eta vs tors. theta energy: -30.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -422.122289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.122289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.122289 (E_RNA)
where:
Base-Base interactions energy: -279.546
where: short stacking energy: -129.738
Base-Backbone interact. energy: -0.452
local terms energy: -142.123976
where:
bonds (distance) C4'-P energy: -28.616
bonds (distance) P-C4' energy: -25.576
flat angles C4'-P-C4' energy: -26.316
flat angles P-C4'-P energy: -23.056
tors. eta vs tors. theta energy: -38.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -328.021264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.021264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.021264 (E_RNA)
where:
Base-Base interactions energy: -207.809
where: short stacking energy: -89.632
Base-Backbone interact. energy: -0.147
local terms energy: -120.064952
where:
bonds (distance) C4'-P energy: -23.424
bonds (distance) P-C4' energy: -23.061
flat angles C4'-P-C4' energy: -27.383
flat angles P-C4'-P energy: -19.997
tors. eta vs tors. theta energy: -26.200
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: 4
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -208.718821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.718821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.718821 (E_RNA)
where:
Base-Base interactions energy: -121.472
where: short stacking energy: -67.552
Base-Backbone interact. energy: 4.910
local terms energy: -92.156814
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -23.746
flat angles C4'-P-C4' energy: -25.597
flat angles P-C4'-P energy: -14.218
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: 10, replica: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -127.234898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.234898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.234898 (E_RNA)
where:
Base-Base interactions energy: -45.438
where: short stacking energy: -38.116
Base-Backbone interact. energy: 0.223
local terms energy: -82.020662
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -27.341
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -17.055
tors. eta vs tors. theta energy: -5.014
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: 5
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -514.747006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.747006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.747006 (E_RNA)
where:
Base-Base interactions energy: -370.855
where: short stacking energy: -146.361
Base-Backbone interact. energy: -1.012
local terms energy: -142.880283
where:
bonds (distance) C4'-P energy: -19.526
bonds (distance) P-C4' energy: -28.150
flat angles C4'-P-C4' energy: -31.444
flat angles P-C4'-P energy: -21.389
tors. eta vs tors. theta energy: -42.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -506.082467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.082467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.082467 (E_RNA)
where:
Base-Base interactions energy: -352.703
where: short stacking energy: -155.662
Base-Backbone interact. energy: -0.333
local terms energy: -153.046612
where:
bonds (distance) C4'-P energy: -29.332
bonds (distance) P-C4' energy: -28.796
flat angles C4'-P-C4' energy: -30.564
flat angles P-C4'-P energy: -19.400
tors. eta vs tors. theta energy: -44.955
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: 1
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -475.592612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.592612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.592612 (E_RNA)
where:
Base-Base interactions energy: -334.640
where: short stacking energy: -145.639
Base-Backbone interact. energy: -0.192
local terms energy: -140.760432
where:
bonds (distance) C4'-P energy: -23.643
bonds (distance) P-C4' energy: -22.670
flat angles C4'-P-C4' energy: -34.720
flat angles P-C4'-P energy: -21.176
tors. eta vs tors. theta energy: -38.553
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: 248
Temperature: 1.050000
Total energy: -470.041787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.041787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.041787 (E_RNA)
where:
Base-Base interactions energy: -345.920
where: short stacking energy: -151.557
Base-Backbone interact. energy: 0.198
local terms energy: -124.319193
where:
bonds (distance) C4'-P energy: -26.730
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -25.465
flat angles P-C4'-P energy: -17.574
tors. eta vs tors. theta energy: -40.864
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: 248
Temperature: 1.100000
Total energy: -444.951813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.951813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.951813 (E_RNA)
where:
Base-Base interactions energy: -299.008
where: short stacking energy: -129.405
Base-Backbone interact. energy: -0.097
local terms energy: -145.847460
where:
bonds (distance) C4'-P energy: -25.571
bonds (distance) P-C4' energy: -31.142
flat angles C4'-P-C4' energy: -26.827
flat angles P-C4'-P energy: -22.375
tors. eta vs tors. theta energy: -39.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -442.997107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.997107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.997107 (E_RNA)
where:
Base-Base interactions energy: -297.113
where: short stacking energy: -135.208
Base-Backbone interact. energy: -0.100
local terms energy: -145.784237
where:
bonds (distance) C4'-P energy: -26.538
bonds (distance) P-C4' energy: -27.323
flat angles C4'-P-C4' energy: -29.111
flat angles P-C4'-P energy: -22.340
tors. eta vs tors. theta energy: -40.472
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: 6
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -430.114389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.114389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.114389 (E_RNA)
where:
Base-Base interactions energy: -298.079
where: short stacking energy: -133.290
Base-Backbone interact. energy: -0.078
local terms energy: -131.958028
where:
bonds (distance) C4'-P energy: -23.569
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -30.778
flat angles P-C4'-P energy: -18.054
tors. eta vs tors. theta energy: -38.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -329.019642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.019642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.019642 (E_RNA)
where:
Base-Base interactions energy: -205.987
where: short stacking energy: -89.361
Base-Backbone interact. energy: -0.086
local terms energy: -122.947317
where:
bonds (distance) C4'-P energy: -23.584
bonds (distance) P-C4' energy: -31.446
flat angles C4'-P-C4' energy: -24.012
flat angles P-C4'-P energy: -21.591
tors. eta vs tors. theta energy: -22.315
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: 4
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -207.642940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.642940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.642940 (E_RNA)
where:
Base-Base interactions energy: -107.768
where: short stacking energy: -63.854
Base-Backbone interact. energy: 1.844
local terms energy: -101.718675
where:
bonds (distance) C4'-P energy: -25.518
bonds (distance) P-C4' energy: -23.734
flat angles C4'-P-C4' energy: -25.415
flat angles P-C4'-P energy: -20.466
tors. eta vs tors. theta energy: -6.586
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: 10, replica: 7
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -141.067728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.067728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.067728 (E_RNA)
where:
Base-Base interactions energy: -64.390
where: short stacking energy: -55.235
Base-Backbone interact. energy: 1.628
local terms energy: -78.305500
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -26.218
flat angles C4'-P-C4' energy: -25.855
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: -3.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -525.572783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.572783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.572783 (E_RNA)
where:
Base-Base interactions energy: -366.758
where: short stacking energy: -144.896
Base-Backbone interact. energy: -0.084
local terms energy: -158.731170
where:
bonds (distance) C4'-P energy: -24.874
bonds (distance) P-C4' energy: -31.824
flat angles C4'-P-C4' energy: -33.539
flat angles P-C4'-P energy: -21.226
tors. eta vs tors. theta energy: -47.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -490.860298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.860298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.860298 (E_RNA)
where:
Base-Base interactions energy: -337.459
where: short stacking energy: -151.787
Base-Backbone interact. energy: -0.107
local terms energy: -153.294221
where:
bonds (distance) C4'-P energy: -27.483
bonds (distance) P-C4' energy: -29.239
flat angles C4'-P-C4' energy: -28.690
flat angles P-C4'-P energy: -23.044
tors. eta vs tors. theta energy: -44.838
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: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -488.092270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.092270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.092270 (E_RNA)
where:
Base-Base interactions energy: -335.102
where: short stacking energy: -141.147
Base-Backbone interact. energy: 0.171
local terms energy: -153.160740
where:
bonds (distance) C4'-P energy: -25.245
bonds (distance) P-C4' energy: -29.139
flat angles C4'-P-C4' energy: -32.713
flat angles P-C4'-P energy: -26.659
tors. eta vs tors. theta energy: -39.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -467.525213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.525213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.525213 (E_RNA)
where:
Base-Base interactions energy: -334.173
where: short stacking energy: -130.778
Base-Backbone interact. energy: -0.120
local terms energy: -133.231804
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -33.392
flat angles C4'-P-C4' energy: -29.053
flat angles P-C4'-P energy: -18.123
tors. eta vs tors. theta energy: -30.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -448.887375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.887375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.887375 (E_RNA)
where:
Base-Base interactions energy: -307.821
where: short stacking energy: -125.021
Base-Backbone interact. energy: -0.159
local terms energy: -140.906837
where:
bonds (distance) C4'-P energy: -26.239
bonds (distance) P-C4' energy: -28.800
flat angles C4'-P-C4' energy: -27.917
flat angles P-C4'-P energy: -23.219
tors. eta vs tors. theta energy: -34.733
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: 249
Temperature: 1.150000
Total energy: -450.739608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.739608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.739608 (E_RNA)
where:
Base-Base interactions energy: -308.746
where: short stacking energy: -136.942
Base-Backbone interact. energy: 1.252
local terms energy: -143.246025
where:
bonds (distance) C4'-P energy: -23.310
bonds (distance) P-C4' energy: -25.669
flat angles C4'-P-C4' energy: -30.122
flat angles P-C4'-P energy: -24.049
tors. eta vs tors. theta energy: -40.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -432.778572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.778572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.778572 (E_RNA)
where:
Base-Base interactions energy: -299.453
where: short stacking energy: -127.761
Base-Backbone interact. energy: 0.201
local terms energy: -133.526735
where:
bonds (distance) C4'-P energy: -20.916
bonds (distance) P-C4' energy: -22.712
flat angles C4'-P-C4' energy: -30.765
flat angles P-C4'-P energy: -21.559
tors. eta vs tors. theta energy: -37.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -313.376082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.376082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.376082 (E_RNA)
where:
Base-Base interactions energy: -205.477
where: short stacking energy: -92.515
Base-Backbone interact. energy: -1.195
local terms energy: -106.704309
where:
bonds (distance) C4'-P energy: -20.368
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -23.949
flat angles P-C4'-P energy: -22.487
tors. eta vs tors. theta energy: -22.488
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: 4
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -229.026075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.026075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.026075 (E_RNA)
where:
Base-Base interactions energy: -125.558
where: short stacking energy: -64.636
Base-Backbone interact. energy: 0.999
local terms energy: -104.466745
where:
bonds (distance) C4'-P energy: -29.655
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -25.296
flat angles P-C4'-P energy: -16.950
tors. eta vs tors. theta energy: -11.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -142.570997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.570997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.570997 (E_RNA)
where:
Base-Base interactions energy: -51.787
where: short stacking energy: -48.139
Base-Backbone interact. energy: -0.078
local terms energy: -90.705727
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -24.997
flat angles C4'-P-C4' energy: -27.171
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -1.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -521.789402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.789402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.789402 (E_RNA)
where:
Base-Base interactions energy: -368.476
where: short stacking energy: -143.019
Base-Backbone interact. energy: -1.327
local terms energy: -151.986714
where:
bonds (distance) C4'-P energy: -27.327
bonds (distance) P-C4' energy: -29.863
flat angles C4'-P-C4' energy: -31.053
flat angles P-C4'-P energy: -18.985
tors. eta vs tors. theta energy: -44.758
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: 2, replica: 8
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -482.113897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.113897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.113897 (E_RNA)
where:
Base-Base interactions energy: -341.921
where: short stacking energy: -155.900
Base-Backbone interact. energy: -0.016
local terms energy: -140.177631
where:
bonds (distance) C4'-P energy: -26.413
bonds (distance) P-C4' energy: -31.368
flat angles C4'-P-C4' energy: -23.178
flat angles P-C4'-P energy: -16.917
tors. eta vs tors. theta energy: -42.302
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: 1
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -460.325976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.325976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.325976 (E_RNA)
where:
Base-Base interactions energy: -326.384
where: short stacking energy: -147.359
Base-Backbone interact. energy: -0.911
local terms energy: -133.031216
where:
bonds (distance) C4'-P energy: -30.065
bonds (distance) P-C4' energy: -23.543
flat angles C4'-P-C4' energy: -31.684
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -36.478
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: 9
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -471.620575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.620575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.620575 (E_RNA)
where:
Base-Base interactions energy: -333.657
where: short stacking energy: -149.607
Base-Backbone interact. energy: 0.173
local terms energy: -138.137100
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -26.116
flat angles C4'-P-C4' energy: -28.986
flat angles P-C4'-P energy: -20.026
tors. eta vs tors. theta energy: -42.786
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: 250
Temperature: 1.100000
Total energy: -454.540613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.540613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.540613 (E_RNA)
where:
Base-Base interactions energy: -313.147
where: short stacking energy: -139.253
Base-Backbone interact. energy: -1.030
local terms energy: -140.363536
where:
bonds (distance) C4'-P energy: -26.454
bonds (distance) P-C4' energy: -25.832
flat angles C4'-P-C4' energy: -30.760
flat angles P-C4'-P energy: -19.006
tors. eta vs tors. theta energy: -38.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -430.749850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.749850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.749850 (E_RNA)
where:
Base-Base interactions energy: -299.842
where: short stacking energy: -126.397
Base-Backbone interact. energy: -0.794
local terms energy: -130.113215
where:
bonds (distance) C4'-P energy: -22.510
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -30.069
flat angles P-C4'-P energy: -18.741
tors. eta vs tors. theta energy: -38.440
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: 3
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -437.712870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.712870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.712870 (E_RNA)
where:
Base-Base interactions energy: -302.716
where: short stacking energy: -140.146
Base-Backbone interact. energy: 0.430
local terms energy: -135.427207
where:
bonds (distance) C4'-P energy: -19.831
bonds (distance) P-C4' energy: -22.003
flat angles C4'-P-C4' energy: -27.757
flat angles P-C4'-P energy: -21.635
tors. eta vs tors. theta energy: -44.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -298.254044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.254044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.254044 (E_RNA)
where:
Base-Base interactions energy: -200.263
where: short stacking energy: -81.064
Base-Backbone interact. energy: 1.813
local terms energy: -99.805020
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -24.468
flat angles C4'-P-C4' energy: -28.323
flat angles P-C4'-P energy: -20.425
tors. eta vs tors. theta energy: -12.461
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: 250
Temperature: 1.300000
Total energy: -206.194473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.194473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.194473 (E_RNA)
where:
Base-Base interactions energy: -111.444
where: short stacking energy: -58.042
Base-Backbone interact. energy: -0.331
local terms energy: -94.419175
where:
bonds (distance) C4'-P energy: -20.042
bonds (distance) P-C4' energy: -32.199
flat angles C4'-P-C4' energy: -22.311
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -6.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -138.153308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.153308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.153308 (E_RNA)
where:
Base-Base interactions energy: -55.814
where: short stacking energy: -55.814
Base-Backbone interact. energy: -0.172
local terms energy: -82.166945
where:
bonds (distance) C4'-P energy: -25.417
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -7.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -524.892981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.892981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.892981 (E_RNA)
where:
Base-Base interactions energy: -373.297
where: short stacking energy: -149.603
Base-Backbone interact. energy: -0.159
local terms energy: -151.437761
where:
bonds (distance) C4'-P energy: -25.570
bonds (distance) P-C4' energy: -30.942
flat angles C4'-P-C4' energy: -29.679
flat angles P-C4'-P energy: -20.551
tors. eta vs tors. theta energy: -44.696
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: 2, replica: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -470.924135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.924135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.924135 (E_RNA)
where:
Base-Base interactions energy: -325.327
where: short stacking energy: -155.906
Base-Backbone interact. energy: 0.600
local terms energy: -146.196897
where:
bonds (distance) C4'-P energy: -22.690
bonds (distance) P-C4' energy: -26.102
flat angles C4'-P-C4' energy: -34.582
flat angles P-C4'-P energy: -23.976
tors. eta vs tors. theta energy: -38.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -478.996580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.996580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.996580 (E_RNA)
where:
Base-Base interactions energy: -336.006
where: short stacking energy: -125.923
Base-Backbone interact. energy: 0.529
local terms energy: -143.519293
where:
bonds (distance) C4'-P energy: -27.597
bonds (distance) P-C4' energy: -29.047
flat angles C4'-P-C4' energy: -31.645
flat angles P-C4'-P energy: -19.355
tors. eta vs tors. theta energy: -35.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -488.623707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.623707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.623707 (E_RNA)
where:
Base-Base interactions energy: -350.633
where: short stacking energy: -156.219
Base-Backbone interact. energy: -0.252
local terms energy: -137.739202
where:
bonds (distance) C4'-P energy: -28.921
bonds (distance) P-C4' energy: -25.759
flat angles C4'-P-C4' energy: -28.094
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -41.039
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: 5, replica: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -467.831444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.831444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.831444 (E_RNA)
where:
Base-Base interactions energy: -318.583
where: short stacking energy: -138.263
Base-Backbone interact. energy: -1.278
local terms energy: -147.970404
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -29.406
flat angles C4'-P-C4' energy: -33.638
flat angles P-C4'-P energy: -19.925
tors. eta vs tors. theta energy: -45.465
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: 10
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -378.427633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.427633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.427633 (E_RNA)
where:
Base-Base interactions energy: -260.966
where: short stacking energy: -108.101
Base-Backbone interact. energy: -0.278
local terms energy: -117.184113
where:
bonds (distance) C4'-P energy: -23.800
bonds (distance) P-C4' energy: -22.214
flat angles C4'-P-C4' energy: -23.199
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -33.311
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: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -430.933789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.933789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.933789 (E_RNA)
where:
Base-Base interactions energy: -299.724
where: short stacking energy: -139.905
Base-Backbone interact. energy: -1.121
local terms energy: -130.088369
where:
bonds (distance) C4'-P energy: -21.931
bonds (distance) P-C4' energy: -25.306
flat angles C4'-P-C4' energy: -28.551
flat angles P-C4'-P energy: -19.519
tors. eta vs tors. theta energy: -34.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -345.807751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.807751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.807751 (E_RNA)
where:
Base-Base interactions energy: -231.870
where: short stacking energy: -83.341
Base-Backbone interact. energy: 0.656
local terms energy: -114.594298
where:
bonds (distance) C4'-P energy: -28.467
bonds (distance) P-C4' energy: -29.431
flat angles C4'-P-C4' energy: -26.626
flat angles P-C4'-P energy: -17.252
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: 9, replica: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -208.751455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.751455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.751455 (E_RNA)
where:
Base-Base interactions energy: -115.031
where: short stacking energy: -58.364
Base-Backbone interact. energy: -0.322
local terms energy: -93.397586
where:
bonds (distance) C4'-P energy: -24.593
bonds (distance) P-C4' energy: -30.375
flat angles C4'-P-C4' energy: -19.688
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -5.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -125.015776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.015776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.015776 (E_RNA)
where:
Base-Base interactions energy: -40.969
where: short stacking energy: -36.882
Base-Backbone interact. energy: -0.124
local terms energy: -83.923250
where:
bonds (distance) C4'-P energy: -25.444
bonds (distance) P-C4' energy: -29.005
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -16.323
tors. eta vs tors. theta energy: 2.959
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: 5
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -530.704347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.704347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.704347 (E_RNA)
where:
Base-Base interactions energy: -380.933
where: short stacking energy: -162.585
Base-Backbone interact. energy: -0.005
local terms energy: -149.766217
where:
bonds (distance) C4'-P energy: -27.850
bonds (distance) P-C4' energy: -25.962
flat angles C4'-P-C4' energy: -29.911
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: -47.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -472.153504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.153504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.153504 (E_RNA)
where:
Base-Base interactions energy: -329.753
where: short stacking energy: -143.141
Base-Backbone interact. energy: -1.296
local terms energy: -141.103973
where:
bonds (distance) C4'-P energy: -26.644
bonds (distance) P-C4' energy: -29.096
flat angles C4'-P-C4' energy: -28.266
flat angles P-C4'-P energy: -17.552
tors. eta vs tors. theta energy: -39.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -479.402165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.402165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.402165 (E_RNA)
where:
Base-Base interactions energy: -332.868
where: short stacking energy: -141.087
Base-Backbone interact. energy: -0.178
local terms energy: -146.355570
where:
bonds (distance) C4'-P energy: -24.224
bonds (distance) P-C4' energy: -27.894
flat angles C4'-P-C4' energy: -29.468
flat angles P-C4'-P energy: -21.756
tors. eta vs tors. theta energy: -43.013
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: 8
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -488.434255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.434255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.434255 (E_RNA)
where:
Base-Base interactions energy: -352.509
where: short stacking energy: -143.020
Base-Backbone interact. energy: 0.138
local terms energy: -136.062763
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -26.017
flat angles C4'-P-C4' energy: -31.618
flat angles P-C4'-P energy: -23.427
tors. eta vs tors. theta energy: -34.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -460.872996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.872996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.872996 (E_RNA)
where:
Base-Base interactions energy: -308.616
where: short stacking energy: -147.571
Base-Backbone interact. energy: -0.887
local terms energy: -151.369931
where:
bonds (distance) C4'-P energy: -24.931
bonds (distance) P-C4' energy: -31.281
flat angles C4'-P-C4' energy: -30.622
flat angles P-C4'-P energy: -19.365
tors. eta vs tors. theta energy: -45.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -377.154927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.154927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.154927 (E_RNA)
where:
Base-Base interactions energy: -253.060
where: short stacking energy: -100.560
Base-Backbone interact. energy: 1.511
local terms energy: -125.605834
where:
bonds (distance) C4'-P energy: -27.410
bonds (distance) P-C4' energy: -27.353
flat angles C4'-P-C4' energy: -27.198
flat angles P-C4'-P energy: -17.108
tors. eta vs tors. theta energy: -26.537
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: 7, replica: 3
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -428.846153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.846153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.846153 (E_RNA)
where:
Base-Base interactions energy: -297.988
where: short stacking energy: -141.303
Base-Backbone interact. energy: -0.480
local terms energy: -130.378747
where:
bonds (distance) C4'-P energy: -18.998
bonds (distance) P-C4' energy: -21.938
flat angles C4'-P-C4' energy: -30.172
flat angles P-C4'-P energy: -22.073
tors. eta vs tors. theta energy: -37.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -384.568295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.568295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.568295 (E_RNA)
where:
Base-Base interactions energy: -256.993
where: short stacking energy: -98.600
Base-Backbone interact. energy: 0.478
local terms energy: -128.053186
where:
bonds (distance) C4'-P energy: -24.566
bonds (distance) P-C4' energy: -29.452
flat angles C4'-P-C4' energy: -27.224
flat angles P-C4'-P energy: -23.048
tors. eta vs tors. theta energy: -23.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -201.057026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.057026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.057026 (E_RNA)
where:
Base-Base interactions energy: -122.334
where: short stacking energy: -70.000
Base-Backbone interact. energy: -0.315
local terms energy: -78.407708
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -24.729
flat angles C4'-P-C4' energy: -21.923
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -4.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -145.506931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.506931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.506931 (E_RNA)
where:
Base-Base interactions energy: -52.459
where: short stacking energy: -46.621
Base-Backbone interact. energy: -0.241
local terms energy: -92.806135
where:
bonds (distance) C4'-P energy: -20.589
bonds (distance) P-C4' energy: -27.812
flat angles C4'-P-C4' energy: -25.180
flat angles P-C4'-P energy: -16.471
tors. eta vs tors. theta energy: -2.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -521.438171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.438171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.438171 (E_RNA)
where:
Base-Base interactions energy: -372.004
where: short stacking energy: -160.758
Base-Backbone interact. energy: 0.872
local terms energy: -150.306229
where:
bonds (distance) C4'-P energy: -30.615
bonds (distance) P-C4' energy: -26.362
flat angles C4'-P-C4' energy: -27.548
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -49.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -469.817691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.817691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.817691 (E_RNA)
where:
Base-Base interactions energy: -327.990
where: short stacking energy: -137.269
Base-Backbone interact. energy: 0.416
local terms energy: -142.243215
where:
bonds (distance) C4'-P energy: -29.419
bonds (distance) P-C4' energy: -29.753
flat angles C4'-P-C4' energy: -28.637
flat angles P-C4'-P energy: -20.828
tors. eta vs tors. theta energy: -33.606
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: 253
Temperature: 1.000000
Total energy: -483.729051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.729051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.729051 (E_RNA)
where:
Base-Base interactions energy: -330.951
where: short stacking energy: -146.127
Base-Backbone interact. energy: -0.076
local terms energy: -152.701653
where:
bonds (distance) C4'-P energy: -29.021
bonds (distance) P-C4' energy: -24.227
flat angles C4'-P-C4' energy: -31.632
flat angles P-C4'-P energy: -23.946
tors. eta vs tors. theta energy: -43.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -448.704362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.704362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.704362 (E_RNA)
where:
Base-Base interactions energy: -294.662
where: short stacking energy: -142.631
Base-Backbone interact. energy: -0.062
local terms energy: -153.979760
where:
bonds (distance) C4'-P energy: -31.412
bonds (distance) P-C4' energy: -26.448
flat angles C4'-P-C4' energy: -31.268
flat angles P-C4'-P energy: -22.265
tors. eta vs tors. theta energy: -42.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -461.667306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.667306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.667306 (E_RNA)
where:
Base-Base interactions energy: -329.001
where: short stacking energy: -132.020
Base-Backbone interact. energy: -0.304
local terms energy: -132.363263
where:
bonds (distance) C4'-P energy: -27.655
bonds (distance) P-C4' energy: -29.604
flat angles C4'-P-C4' energy: -24.797
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -34.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -426.330198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.330198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.330198 (E_RNA)
where:
Base-Base interactions energy: -297.375
where: short stacking energy: -135.200
Base-Backbone interact. energy: -0.352
local terms energy: -128.603489
where:
bonds (distance) C4'-P energy: -20.100
bonds (distance) P-C4' energy: -19.571
flat angles C4'-P-C4' energy: -32.395
flat angles P-C4'-P energy: -17.952
tors. eta vs tors. theta energy: -38.585
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: 10
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -385.621833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.621833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.621833 (E_RNA)
where:
Base-Base interactions energy: -267.523
where: short stacking energy: -101.797
Base-Backbone interact. energy: -1.573
local terms energy: -116.525570
where:
bonds (distance) C4'-P energy: -23.601
bonds (distance) P-C4' energy: -27.666
flat angles C4'-P-C4' energy: -27.816
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -23.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -400.585908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.585908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.585908 (E_RNA)
where:
Base-Base interactions energy: -282.533
where: short stacking energy: -110.019
Base-Backbone interact. energy: 1.569
local terms energy: -119.622245
where:
bonds (distance) C4'-P energy: -28.631
bonds (distance) P-C4' energy: -27.525
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -29.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -214.837521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.837521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.837521 (E_RNA)
where:
Base-Base interactions energy: -118.993
where: short stacking energy: -76.099
Base-Backbone interact. energy: -0.089
local terms energy: -95.755345
where:
bonds (distance) C4'-P energy: -24.462
bonds (distance) P-C4' energy: -24.217
flat angles C4'-P-C4' energy: -20.112
flat angles P-C4'-P energy: -18.761
tors. eta vs tors. theta energy: -8.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -129.367892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.367892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.367892 (E_RNA)
where:
Base-Base interactions energy: -46.736
where: short stacking energy: -46.736
Base-Backbone interact. energy: 1.180
local terms energy: -83.811587
where:
bonds (distance) C4'-P energy: -25.775
bonds (distance) P-C4' energy: -25.029
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -16.522
tors. eta vs tors. theta energy: -0.994
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: 1, replica: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -531.907128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.907128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.907128 (E_RNA)
where:
Base-Base interactions energy: -373.217
where: short stacking energy: -155.151
Base-Backbone interact. energy: -0.214
local terms energy: -158.476132
where:
bonds (distance) C4'-P energy: -31.530
bonds (distance) P-C4' energy: -30.734
flat angles C4'-P-C4' energy: -30.959
flat angles P-C4'-P energy: -19.902
tors. eta vs tors. theta energy: -45.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -469.059564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.059564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.059564 (E_RNA)
where:
Base-Base interactions energy: -322.041
where: short stacking energy: -140.437
Base-Backbone interact. energy: -0.882
local terms energy: -146.137140
where:
bonds (distance) C4'-P energy: -28.859
bonds (distance) P-C4' energy: -32.700
flat angles C4'-P-C4' energy: -31.917
flat angles P-C4'-P energy: -17.266
tors. eta vs tors. theta energy: -35.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -491.959499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.959499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.959499 (E_RNA)
where:
Base-Base interactions energy: -352.028
where: short stacking energy: -149.386
Base-Backbone interact. energy: -0.033
local terms energy: -139.898380
where:
bonds (distance) C4'-P energy: -28.927
bonds (distance) P-C4' energy: -24.154
flat angles C4'-P-C4' energy: -29.303
flat angles P-C4'-P energy: -16.305
tors. eta vs tors. theta energy: -41.210
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: 4, replica: 6
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -450.699072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.699072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.699072 (E_RNA)
where:
Base-Base interactions energy: -313.239
where: short stacking energy: -137.988
Base-Backbone interact. energy: -0.469
local terms energy: -136.990754
where:
bonds (distance) C4'-P energy: -24.669
bonds (distance) P-C4' energy: -25.421
flat angles C4'-P-C4' energy: -31.092
flat angles P-C4'-P energy: -16.905
tors. eta vs tors. theta energy: -38.904
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: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -470.065425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.065425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.065425 (E_RNA)
where:
Base-Base interactions energy: -328.348
where: short stacking energy: -143.464
Base-Backbone interact. energy: -0.961
local terms energy: -140.755835
where:
bonds (distance) C4'-P energy: -19.446
bonds (distance) P-C4' energy: -24.451
flat angles C4'-P-C4' energy: -29.823
flat angles P-C4'-P energy: -21.426
tors. eta vs tors. theta energy: -45.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -457.021959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.021959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.021959 (E_RNA)
where:
Base-Base interactions energy: -309.391
where: short stacking energy: -128.326
Base-Backbone interact. energy: -0.163
local terms energy: -147.467914
where:
bonds (distance) C4'-P energy: -28.362
bonds (distance) P-C4' energy: -29.794
flat angles C4'-P-C4' energy: -28.139
flat angles P-C4'-P energy: -25.317
tors. eta vs tors. theta energy: -35.856
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: 2
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -415.891228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.891228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.891228 (E_RNA)
where:
Base-Base interactions energy: -286.892
where: short stacking energy: -113.344
Base-Backbone interact. energy: -0.649
local terms energy: -128.350204
where:
bonds (distance) C4'-P energy: -19.702
bonds (distance) P-C4' energy: -25.937
flat angles C4'-P-C4' energy: -28.709
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: -31.858
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: 10
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -343.171149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.171149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.171149 (E_RNA)
where:
Base-Base interactions energy: -215.386
where: short stacking energy: -89.571
Base-Backbone interact. energy: -0.071
local terms energy: -127.714792
where:
bonds (distance) C4'-P energy: -33.190
bonds (distance) P-C4' energy: -24.518
flat angles C4'-P-C4' energy: -26.641
flat angles P-C4'-P energy: -22.607
tors. eta vs tors. theta energy: -20.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -212.365026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.365026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.365026 (E_RNA)
where:
Base-Base interactions energy: -115.489
where: short stacking energy: -68.145
Base-Backbone interact. energy: -0.465
local terms energy: -96.411079
where:
bonds (distance) C4'-P energy: -26.662
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -19.755
flat angles P-C4'-P energy: -20.224
tors. eta vs tors. theta energy: -7.597
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: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -132.906209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.906209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.906209 (E_RNA)
where:
Base-Base interactions energy: -50.631
where: short stacking energy: -36.399
Base-Backbone interact. energy: 0.914
local terms energy: -83.189389
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -26.983
flat angles C4'-P-C4' energy: -23.900
flat angles P-C4'-P energy: -14.673
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: 1, replica: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -518.382365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.382365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.382365 (E_RNA)
where:
Base-Base interactions energy: -363.082
where: short stacking energy: -153.352
Base-Backbone interact. energy: 0.032
local terms energy: -155.332893
where:
bonds (distance) C4'-P energy: -28.363
bonds (distance) P-C4' energy: -27.942
flat angles C4'-P-C4' energy: -31.684
flat angles P-C4'-P energy: -22.042
tors. eta vs tors. theta energy: -45.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -501.614619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.614619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.614619 (E_RNA)
where:
Base-Base interactions energy: -356.608
where: short stacking energy: -149.430
Base-Backbone interact. energy: -0.042
local terms energy: -144.964410
where:
bonds (distance) C4'-P energy: -22.588
bonds (distance) P-C4' energy: -26.364
flat angles C4'-P-C4' energy: -33.310
flat angles P-C4'-P energy: -22.051
tors. eta vs tors. theta energy: -40.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -456.808643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.808643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.808643 (E_RNA)
where:
Base-Base interactions energy: -312.843
where: short stacking energy: -130.998
Base-Backbone interact. energy: -1.357
local terms energy: -142.609035
where:
bonds (distance) C4'-P energy: -31.740
bonds (distance) P-C4' energy: -26.219
flat angles C4'-P-C4' energy: -28.649
flat angles P-C4'-P energy: -20.797
tors. eta vs tors. theta energy: -35.204
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: 255
Temperature: 1.050000
Total energy: -459.600529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.600529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.600529 (E_RNA)
where:
Base-Base interactions energy: -317.369
where: short stacking energy: -144.671
Base-Backbone interact. energy: -1.843
local terms energy: -140.388859
where:
bonds (distance) C4'-P energy: -28.135
bonds (distance) P-C4' energy: -25.148
flat angles C4'-P-C4' energy: -27.674
flat angles P-C4'-P energy: -21.726
tors. eta vs tors. theta energy: -37.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -445.988255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.988255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.988255 (E_RNA)
where:
Base-Base interactions energy: -312.061
where: short stacking energy: -141.745
Base-Backbone interact. energy: -0.203
local terms energy: -133.724565
where:
bonds (distance) C4'-P energy: -19.948
bonds (distance) P-C4' energy: -25.380
flat angles C4'-P-C4' energy: -28.066
flat angles P-C4'-P energy: -16.141
tors. eta vs tors. theta energy: -44.189
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: 2
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -440.694828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.694828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.694828 (E_RNA)
where:
Base-Base interactions energy: -313.907
where: short stacking energy: -125.276
Base-Backbone interact. energy: 0.621
local terms energy: -127.408566
where:
bonds (distance) C4'-P energy: -25.341
bonds (distance) P-C4' energy: -22.424
flat angles C4'-P-C4' energy: -30.352
flat angles P-C4'-P energy: -21.502
tors. eta vs tors. theta energy: -27.789
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: 7, replica: 8
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -428.493976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.493976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.493976 (E_RNA)
where:
Base-Base interactions energy: -304.487
where: short stacking energy: -127.576
Base-Backbone interact. energy: -0.096
local terms energy: -123.910645
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -28.428
flat angles C4'-P-C4' energy: -28.238
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -34.275
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: 10
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -330.395928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.395928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.395928 (E_RNA)
where:
Base-Base interactions energy: -234.814
where: short stacking energy: -100.675
Base-Backbone interact. energy: 0.720
local terms energy: -96.302175
where:
bonds (distance) C4'-P energy: -20.407
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -17.449
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: 9, replica: 4
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -207.750114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.750114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.750114 (E_RNA)
where:
Base-Base interactions energy: -118.048
where: short stacking energy: -53.489
Base-Backbone interact. energy: -0.496
local terms energy: -89.205713
where:
bonds (distance) C4'-P energy: -22.517
bonds (distance) P-C4' energy: -24.319
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -16.393
tors. eta vs tors. theta energy: -6.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -128.984993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.984993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.984993 (E_RNA)
where:
Base-Base interactions energy: -50.161
where: short stacking energy: -48.122
Base-Backbone interact. energy: -0.719
local terms energy: -78.105150
where:
bonds (distance) C4'-P energy: -31.361
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -20.386
flat angles P-C4'-P energy: -3.630
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: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -522.518650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.518650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.518650 (E_RNA)
where:
Base-Base interactions energy: -377.746
where: short stacking energy: -150.611
Base-Backbone interact. energy: 0.518
local terms energy: -145.291284
where:
bonds (distance) C4'-P energy: -25.077
bonds (distance) P-C4' energy: -26.647
flat angles C4'-P-C4' energy: -30.980
flat angles P-C4'-P energy: -19.107
tors. eta vs tors. theta energy: -43.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -497.643812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.643812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.643812 (E_RNA)
where:
Base-Base interactions energy: -357.615
where: short stacking energy: -140.762
Base-Backbone interact. energy: -0.191
local terms energy: -139.837434
where:
bonds (distance) C4'-P energy: -25.269
bonds (distance) P-C4' energy: -26.790
flat angles C4'-P-C4' energy: -32.625
flat angles P-C4'-P energy: -15.966
tors. eta vs tors. theta energy: -39.188
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: 3, replica: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -463.132467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.132467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.132467 (E_RNA)
where:
Base-Base interactions energy: -316.246
where: short stacking energy: -142.612
Base-Backbone interact. energy: -0.478
local terms energy: -146.408510
where:
bonds (distance) C4'-P energy: -19.651
bonds (distance) P-C4' energy: -31.889
flat angles C4'-P-C4' energy: -31.325
flat angles P-C4'-P energy: -22.308
tors. eta vs tors. theta energy: -41.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -442.747652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.747652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.747652 (E_RNA)
where:
Base-Base interactions energy: -302.653
where: short stacking energy: -123.954
Base-Backbone interact. energy: -1.948
local terms energy: -138.146475
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -25.151
flat angles C4'-P-C4' energy: -31.667
flat angles P-C4'-P energy: -23.188
tors. eta vs tors. theta energy: -35.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -454.503715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.503715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.503715 (E_RNA)
where:
Base-Base interactions energy: -318.909
where: short stacking energy: -133.692
Base-Backbone interact. energy: -0.489
local terms energy: -135.105799
where:
bonds (distance) C4'-P energy: -20.427
bonds (distance) P-C4' energy: -33.044
flat angles C4'-P-C4' energy: -28.232
flat angles P-C4'-P energy: -19.423
tors. eta vs tors. theta energy: -33.980
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: 256
Temperature: 1.150000
Total energy: -440.423139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.423139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.423139 (E_RNA)
where:
Base-Base interactions energy: -293.004
where: short stacking energy: -133.143
Base-Backbone interact. energy: -0.038
local terms energy: -147.381309
where:
bonds (distance) C4'-P energy: -28.089
bonds (distance) P-C4' energy: -30.315
flat angles C4'-P-C4' energy: -29.705
flat angles P-C4'-P energy: -20.950
tors. eta vs tors. theta energy: -38.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -434.469443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.469443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.469443 (E_RNA)
where:
Base-Base interactions energy: -308.438
where: short stacking energy: -126.272
Base-Backbone interact. energy: -0.795
local terms energy: -125.236857
where:
bonds (distance) C4'-P energy: -23.119
bonds (distance) P-C4' energy: -22.173
flat angles C4'-P-C4' energy: -25.665
flat angles P-C4'-P energy: -21.679
tors. eta vs tors. theta energy: -32.601
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: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -337.896773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.896773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.896773 (E_RNA)
where:
Base-Base interactions energy: -225.449
where: short stacking energy: -89.915
Base-Backbone interact. energy: -0.201
local terms energy: -112.246563
where:
bonds (distance) C4'-P energy: -26.409
bonds (distance) P-C4' energy: -25.695
flat angles C4'-P-C4' energy: -19.822
flat angles P-C4'-P energy: -18.650
tors. eta vs tors. theta energy: -21.671
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: 4
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -219.173858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.173858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.173858 (E_RNA)
where:
Base-Base interactions energy: -117.201
where: short stacking energy: -72.414
Base-Backbone interact. energy: 0.739
local terms energy: -102.711478
where:
bonds (distance) C4'-P energy: -25.804
bonds (distance) P-C4' energy: -28.586
flat angles C4'-P-C4' energy: -22.984
flat angles P-C4'-P energy: -18.840
tors. eta vs tors. theta energy: -6.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -131.100466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.100466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.100466 (E_RNA)
where:
Base-Base interactions energy: -49.291
where: short stacking energy: -49.291
Base-Backbone interact. energy: 1.749
local terms energy: -83.558210
where:
bonds (distance) C4'-P energy: -23.174
bonds (distance) P-C4' energy: -29.526
flat angles C4'-P-C4' energy: -24.738
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: 1.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -538.158829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.158829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.158829 (E_RNA)
where:
Base-Base interactions energy: -380.005
where: short stacking energy: -159.686
Base-Backbone interact. energy: -0.292
local terms energy: -157.861557
where:
bonds (distance) C4'-P energy: -29.696
bonds (distance) P-C4' energy: -31.550
flat angles C4'-P-C4' energy: -28.044
flat angles P-C4'-P energy: -23.090
tors. eta vs tors. theta energy: -45.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -491.330843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.330843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.330843 (E_RNA)
where:
Base-Base interactions energy: -340.302
where: short stacking energy: -153.962
Base-Backbone interact. energy: -0.382
local terms energy: -150.647120
where:
bonds (distance) C4'-P energy: -30.357
bonds (distance) P-C4' energy: -26.796
flat angles C4'-P-C4' energy: -31.048
flat angles P-C4'-P energy: -19.815
tors. eta vs tors. theta energy: -42.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -477.489425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.489425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.489425 (E_RNA)
where:
Base-Base interactions energy: -333.620
where: short stacking energy: -145.199
Base-Backbone interact. energy: -0.181
local terms energy: -143.688108
where:
bonds (distance) C4'-P energy: -27.581
bonds (distance) P-C4' energy: -22.886
flat angles C4'-P-C4' energy: -30.709
flat angles P-C4'-P energy: -21.116
tors. eta vs tors. theta energy: -41.396
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: 1
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -437.483900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.483900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.483900 (E_RNA)
where:
Base-Base interactions energy: -303.618
where: short stacking energy: -123.017
Base-Backbone interact. energy: -0.176
local terms energy: -133.690112
where:
bonds (distance) C4'-P energy: -26.705
bonds (distance) P-C4' energy: -30.584
flat angles C4'-P-C4' energy: -30.412
flat angles P-C4'-P energy: -19.090
tors. eta vs tors. theta energy: -26.900
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: 2
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -433.659846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.659846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.659846 (E_RNA)
where:
Base-Base interactions energy: -301.495
where: short stacking energy: -118.062
Base-Backbone interact. energy: -0.404
local terms energy: -131.761154
where:
bonds (distance) C4'-P energy: -24.066
bonds (distance) P-C4' energy: -27.776
flat angles C4'-P-C4' energy: -36.813
flat angles P-C4'-P energy: -18.531
tors. eta vs tors. theta energy: -24.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -457.564765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.564765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.564765 (E_RNA)
where:
Base-Base interactions energy: -311.333
where: short stacking energy: -128.216
Base-Backbone interact. energy: -1.228
local terms energy: -145.004607
where:
bonds (distance) C4'-P energy: -29.336
bonds (distance) P-C4' energy: -27.904
flat angles C4'-P-C4' energy: -32.768
flat angles P-C4'-P energy: -20.045
tors. eta vs tors. theta energy: -34.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -412.875832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.875832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.875832 (E_RNA)
where:
Base-Base interactions energy: -283.486
where: short stacking energy: -112.103
Base-Backbone interact. energy: -0.259
local terms energy: -129.130792
where:
bonds (distance) C4'-P energy: -25.878
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -30.158
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -37.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -355.229480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.229480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.229480 (E_RNA)
where:
Base-Base interactions energy: -248.929
where: short stacking energy: -108.104
Base-Backbone interact. energy: -1.199
local terms energy: -105.100703
where:
bonds (distance) C4'-P energy: -23.419
bonds (distance) P-C4' energy: -22.007
flat angles C4'-P-C4' energy: -20.293
flat angles P-C4'-P energy: -12.646
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: 9, replica: 4
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -195.302581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.302581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.302581 (E_RNA)
where:
Base-Base interactions energy: -103.029
where: short stacking energy: -57.381
Base-Backbone interact. energy: -0.034
local terms energy: -92.239968
where:
bonds (distance) C4'-P energy: -17.313
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -25.647
flat angles P-C4'-P energy: -19.057
tors. eta vs tors. theta energy: -9.054
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: 7
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -133.679449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.679449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.679449 (E_RNA)
where:
Base-Base interactions energy: -52.013
where: short stacking energy: -40.240
Base-Backbone interact. energy: -0.088
local terms energy: -81.578536
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -21.733
flat angles C4'-P-C4' energy: -22.970
flat angles P-C4'-P energy: -15.958
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: 1, replica: 5
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -522.531844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.531844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.531844 (E_RNA)
where:
Base-Base interactions energy: -365.762
where: short stacking energy: -150.929
Base-Backbone interact. energy: -0.041
local terms energy: -156.728452
where:
bonds (distance) C4'-P energy: -28.226
bonds (distance) P-C4' energy: -31.426
flat angles C4'-P-C4' energy: -29.547
flat angles P-C4'-P energy: -18.118
tors. eta vs tors. theta energy: -49.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -499.984400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.984400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.984400 (E_RNA)
where:
Base-Base interactions energy: -345.988
where: short stacking energy: -154.456
Base-Backbone interact. energy: -0.183
local terms energy: -153.813151
where:
bonds (distance) C4'-P energy: -26.226
bonds (distance) P-C4' energy: -31.580
flat angles C4'-P-C4' energy: -30.635
flat angles P-C4'-P energy: -22.093
tors. eta vs tors. theta energy: -43.278
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: 3
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -459.955156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.955156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.955156 (E_RNA)
where:
Base-Base interactions energy: -315.100
where: short stacking energy: -140.872
Base-Backbone interact. energy: -0.242
local terms energy: -144.612971
where:
bonds (distance) C4'-P energy: -26.318
bonds (distance) P-C4' energy: -29.173
flat angles C4'-P-C4' energy: -32.139
flat angles P-C4'-P energy: -19.889
tors. eta vs tors. theta energy: -37.094
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: 4, replica: 1
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -451.784131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.784131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.784131 (E_RNA)
where:
Base-Base interactions energy: -315.674
where: short stacking energy: -131.331
Base-Backbone interact. energy: -0.358
local terms energy: -135.752452
where:
bonds (distance) C4'-P energy: -26.089
bonds (distance) P-C4' energy: -26.439
flat angles C4'-P-C4' energy: -28.574
flat angles P-C4'-P energy: -18.950
tors. eta vs tors. theta energy: -35.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -454.417930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.417930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.417930 (E_RNA)
where:
Base-Base interactions energy: -326.004
where: short stacking energy: -134.638
Base-Backbone interact. energy: -0.249
local terms energy: -128.164451
where:
bonds (distance) C4'-P energy: -21.625
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -31.513
flat angles P-C4'-P energy: -24.027
tors. eta vs tors. theta energy: -33.380
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: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -429.811375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.811375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.811375 (E_RNA)
where:
Base-Base interactions energy: -299.583
where: short stacking energy: -120.632
Base-Backbone interact. energy: -0.142
local terms energy: -130.086157
where:
bonds (distance) C4'-P energy: -24.100
bonds (distance) P-C4' energy: -28.558
flat angles C4'-P-C4' energy: -25.575
flat angles P-C4'-P energy: -21.563
tors. eta vs tors. theta energy: -30.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -413.662376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.662376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.662376 (E_RNA)
where:
Base-Base interactions energy: -283.313
where: short stacking energy: -118.643
Base-Backbone interact. energy: -0.394
local terms energy: -129.954906
where:
bonds (distance) C4'-P energy: -22.879
bonds (distance) P-C4' energy: -29.744
flat angles C4'-P-C4' energy: -27.565
flat angles P-C4'-P energy: -19.382
tors. eta vs tors. theta energy: -30.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -329.831653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.831653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.831653 (E_RNA)
where:
Base-Base interactions energy: -219.604
where: short stacking energy: -97.813
Base-Backbone interact. energy: -0.407
local terms energy: -109.820128
where:
bonds (distance) C4'-P energy: -26.344
bonds (distance) P-C4' energy: -25.546
flat angles C4'-P-C4' energy: -28.855
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -15.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -200.429963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.429963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.429963 (E_RNA)
where:
Base-Base interactions energy: -110.585
where: short stacking energy: -67.234
Base-Backbone interact. energy: -0.185
local terms energy: -89.659553
where:
bonds (distance) C4'-P energy: -23.355
bonds (distance) P-C4' energy: -21.177
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -15.414
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: 10, replica: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -138.307046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.307046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.307046 (E_RNA)
where:
Base-Base interactions energy: -47.906
where: short stacking energy: -45.485
Base-Backbone interact. energy: 0.702
local terms energy: -91.102673
where:
bonds (distance) C4'-P energy: -23.969
bonds (distance) P-C4' energy: -30.616
flat angles C4'-P-C4' energy: -28.127
flat angles P-C4'-P energy: -4.695
tors. eta vs tors. theta energy: -3.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -524.947506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.947506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.947506 (E_RNA)
where:
Base-Base interactions energy: -370.487
where: short stacking energy: -162.569
Base-Backbone interact. energy: -0.023
local terms energy: -154.437692
where:
bonds (distance) C4'-P energy: -30.706
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -32.767
flat angles P-C4'-P energy: -20.960
tors. eta vs tors. theta energy: -48.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -499.264919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.264919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.264919 (E_RNA)
where:
Base-Base interactions energy: -365.149
where: short stacking energy: -147.086
Base-Backbone interact. energy: -0.575
local terms energy: -133.540757
where:
bonds (distance) C4'-P energy: -27.133
bonds (distance) P-C4' energy: -25.726
flat angles C4'-P-C4' energy: -28.875
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -37.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -466.530012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.530012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.530012 (E_RNA)
where:
Base-Base interactions energy: -322.879
where: short stacking energy: -143.275
Base-Backbone interact. energy: -0.921
local terms energy: -142.730525
where:
bonds (distance) C4'-P energy: -27.005
bonds (distance) P-C4' energy: -30.004
flat angles C4'-P-C4' energy: -30.761
flat angles P-C4'-P energy: -15.136
tors. eta vs tors. theta energy: -39.825
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: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -465.941113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.941113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.941113 (E_RNA)
where:
Base-Base interactions energy: -331.407
where: short stacking energy: -141.880
Base-Backbone interact. energy: -0.098
local terms energy: -134.436797
where:
bonds (distance) C4'-P energy: -22.917
bonds (distance) P-C4' energy: -27.910
flat angles C4'-P-C4' energy: -29.713
flat angles P-C4'-P energy: -18.996
tors. eta vs tors. theta energy: -34.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -439.702907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.702907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.702907 (E_RNA)
where:
Base-Base interactions energy: -311.143
where: short stacking energy: -129.719
Base-Backbone interact. energy: -0.106
local terms energy: -128.454592
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -29.819
flat angles C4'-P-C4' energy: -28.741
flat angles P-C4'-P energy: -16.462
tors. eta vs tors. theta energy: -30.982
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: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -445.159143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.159143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.159143 (E_RNA)
where:
Base-Base interactions energy: -315.337
where: short stacking energy: -138.960
Base-Backbone interact. energy: -0.088
local terms energy: -129.734325
where:
bonds (distance) C4'-P energy: -22.108
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -23.249
flat angles P-C4'-P energy: -22.895
tors. eta vs tors. theta energy: -38.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -410.571475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.571475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.571475 (E_RNA)
where:
Base-Base interactions energy: -271.545
where: short stacking energy: -119.469
Base-Backbone interact. energy: -0.021
local terms energy: -139.005764
where:
bonds (distance) C4'-P energy: -28.471
bonds (distance) P-C4' energy: -25.444
flat angles C4'-P-C4' energy: -30.384
flat angles P-C4'-P energy: -18.814
tors. eta vs tors. theta energy: -35.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -314.541414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.541414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.541414 (E_RNA)
where:
Base-Base interactions energy: -213.972
where: short stacking energy: -86.067
Base-Backbone interact. energy: -0.252
local terms energy: -100.317041
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -21.389
flat angles C4'-P-C4' energy: -29.737
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: -15.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -197.117169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.117169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.117169 (E_RNA)
where:
Base-Base interactions energy: -106.472
where: short stacking energy: -53.331
Base-Backbone interact. energy: -0.337
local terms energy: -90.308601
where:
bonds (distance) C4'-P energy: -28.412
bonds (distance) P-C4' energy: -24.685
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -20.199
tors. eta vs tors. theta energy: 2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -134.559015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.559015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.559015 (E_RNA)
where:
Base-Base interactions energy: -47.131
where: short stacking energy: -41.449
Base-Backbone interact. energy: 0.540
local terms energy: -87.967940
where:
bonds (distance) C4'-P energy: -25.609
bonds (distance) P-C4' energy: -20.744
flat angles C4'-P-C4' energy: -24.236
flat angles P-C4'-P energy: -10.432
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: 1, replica: 5
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -521.823404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.823404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.823404 (E_RNA)
where:
Base-Base interactions energy: -366.248
where: short stacking energy: -153.438
Base-Backbone interact. energy: -0.557
local terms energy: -155.017772
where:
bonds (distance) C4'-P energy: -32.574
bonds (distance) P-C4' energy: -26.627
flat angles C4'-P-C4' energy: -27.340
flat angles P-C4'-P energy: -20.434
tors. eta vs tors. theta energy: -48.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -492.649360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.649360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.649360 (E_RNA)
where:
Base-Base interactions energy: -349.697
where: short stacking energy: -147.633
Base-Backbone interact. energy: -0.390
local terms energy: -142.562391
where:
bonds (distance) C4'-P energy: -23.398
bonds (distance) P-C4' energy: -28.651
flat angles C4'-P-C4' energy: -30.308
flat angles P-C4'-P energy: -17.801
tors. eta vs tors. theta energy: -42.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -502.574747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.574747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.574747 (E_RNA)
where:
Base-Base interactions energy: -356.135
where: short stacking energy: -140.014
Base-Backbone interact. energy: -0.079
local terms energy: -146.360984
where:
bonds (distance) C4'-P energy: -27.953
bonds (distance) P-C4' energy: -27.794
flat angles C4'-P-C4' energy: -30.528
flat angles P-C4'-P energy: -19.015
tors. eta vs tors. theta energy: -41.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -453.958559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.958559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.958559 (E_RNA)
where:
Base-Base interactions energy: -303.589
where: short stacking energy: -138.357
Base-Backbone interact. energy: -0.688
local terms energy: -149.681716
where:
bonds (distance) C4'-P energy: -24.394
bonds (distance) P-C4' energy: -30.164
flat angles C4'-P-C4' energy: -31.344
flat angles P-C4'-P energy: -23.481
tors. eta vs tors. theta energy: -40.299
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: 260
Temperature: 1.100000
Total energy: -448.626108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.626108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.626108 (E_RNA)
where:
Base-Base interactions energy: -315.887
where: short stacking energy: -130.240
Base-Backbone interact. energy: -1.067
local terms energy: -131.672037
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -30.652
flat angles C4'-P-C4' energy: -29.828
flat angles P-C4'-P energy: -20.569
tors. eta vs tors. theta energy: -31.957
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: 6, replica: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -444.348576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.348576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.348576 (E_RNA)
where:
Base-Base interactions energy: -315.996
where: short stacking energy: -134.679
Base-Backbone interact. energy: -0.097
local terms energy: -128.255263
where:
bonds (distance) C4'-P energy: -24.934
bonds (distance) P-C4' energy: -27.786
flat angles C4'-P-C4' energy: -24.761
flat angles P-C4'-P energy: -16.544
tors. eta vs tors. theta energy: -34.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -420.323043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.323043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.323043 (E_RNA)
where:
Base-Base interactions energy: -282.759
where: short stacking energy: -124.464
Base-Backbone interact. energy: -0.787
local terms energy: -136.776579
where:
bonds (distance) C4'-P energy: -24.542
bonds (distance) P-C4' energy: -28.040
flat angles C4'-P-C4' energy: -29.167
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -35.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -317.737595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.737595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.737595 (E_RNA)
where:
Base-Base interactions energy: -211.827
where: short stacking energy: -97.625
Base-Backbone interact. energy: 1.757
local terms energy: -107.667675
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -21.877
flat angles C4'-P-C4' energy: -27.810
flat angles P-C4'-P energy: -18.405
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: 9, replica: 4
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -194.005894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.005894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.005894 (E_RNA)
where:
Base-Base interactions energy: -109.032
where: short stacking energy: -63.647
Base-Backbone interact. energy: -0.787
local terms energy: -84.186926
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -16.994
tors. eta vs tors. theta energy: -8.652
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: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -130.298851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.298851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.298851 (E_RNA)
where:
Base-Base interactions energy: -42.818
where: short stacking energy: -41.118
Base-Backbone interact. energy: -0.565
local terms energy: -86.915934
where:
bonds (distance) C4'-P energy: -26.796
bonds (distance) P-C4' energy: -24.531
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -3.276
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: 5
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -519.084535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.084535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.084535 (E_RNA)
where:
Base-Base interactions energy: -361.309
where: short stacking energy: -154.258
Base-Backbone interact. energy: -0.684
local terms energy: -157.091965
where:
bonds (distance) C4'-P energy: -31.777
bonds (distance) P-C4' energy: -25.513
flat angles C4'-P-C4' energy: -29.532
flat angles P-C4'-P energy: -23.499
tors. eta vs tors. theta energy: -46.772
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: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -509.961217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.961217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.961217 (E_RNA)
where:
Base-Base interactions energy: -363.681
where: short stacking energy: -142.066
Base-Backbone interact. energy: -0.150
local terms energy: -146.130606
where:
bonds (distance) C4'-P energy: -30.578
bonds (distance) P-C4' energy: -19.881
flat angles C4'-P-C4' energy: -31.049
flat angles P-C4'-P energy: -24.394
tors. eta vs tors. theta energy: -40.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -487.896540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.896540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.896540 (E_RNA)
where:
Base-Base interactions energy: -342.241
where: short stacking energy: -143.014
Base-Backbone interact. energy: -1.131
local terms energy: -144.525037
where:
bonds (distance) C4'-P energy: -18.481
bonds (distance) P-C4' energy: -31.969
flat angles C4'-P-C4' energy: -33.395
flat angles P-C4'-P energy: -20.422
tors. eta vs tors. theta energy: -40.257
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: 3
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -453.655434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.655434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.655434 (E_RNA)
where:
Base-Base interactions energy: -307.550
where: short stacking energy: -129.382
Base-Backbone interact. energy: -0.473
local terms energy: -145.632853
where:
bonds (distance) C4'-P energy: -27.663
bonds (distance) P-C4' energy: -23.105
flat angles C4'-P-C4' energy: -33.698
flat angles P-C4'-P energy: -22.671
tors. eta vs tors. theta energy: -38.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -439.296242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.296242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.296242 (E_RNA)
where:
Base-Base interactions energy: -305.623
where: short stacking energy: -119.956
Base-Backbone interact. energy: -0.429
local terms energy: -133.243896
where:
bonds (distance) C4'-P energy: -27.267
bonds (distance) P-C4' energy: -28.089
flat angles C4'-P-C4' energy: -29.523
flat angles P-C4'-P energy: -18.563
tors. eta vs tors. theta energy: -29.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -444.856872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.856872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.856872 (E_RNA)
where:
Base-Base interactions energy: -304.321
where: short stacking energy: -121.883
Base-Backbone interact. energy: -0.297
local terms energy: -140.238592
where:
bonds (distance) C4'-P energy: -26.699
bonds (distance) P-C4' energy: -25.002
flat angles C4'-P-C4' energy: -30.219
flat angles P-C4'-P energy: -20.390
tors. eta vs tors. theta energy: -37.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -431.357723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.357723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.357723 (E_RNA)
where:
Base-Base interactions energy: -297.071
where: short stacking energy: -133.096
Base-Backbone interact. energy: -0.456
local terms energy: -133.830831
where:
bonds (distance) C4'-P energy: -23.820
bonds (distance) P-C4' energy: -27.137
flat angles C4'-P-C4' energy: -31.304
flat angles P-C4'-P energy: -16.021
tors. eta vs tors. theta energy: -35.549
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: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -312.391965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.391965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.391965 (E_RNA)
where:
Base-Base interactions energy: -207.719
where: short stacking energy: -97.936
Base-Backbone interact. energy: -0.319
local terms energy: -104.353268
where:
bonds (distance) C4'-P energy: -21.157
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -27.599
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -20.964
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: 4
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -227.174616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.174616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.174616 (E_RNA)
where:
Base-Base interactions energy: -124.975
where: short stacking energy: -59.985
Base-Backbone interact. energy: -0.788
local terms energy: -101.411282
where:
bonds (distance) C4'-P energy: -19.541
bonds (distance) P-C4' energy: -29.757
flat angles C4'-P-C4' energy: -25.509
flat angles P-C4'-P energy: -23.150
tors. eta vs tors. theta energy: -3.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -144.207409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.207409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.207409 (E_RNA)
where:
Base-Base interactions energy: -69.019
where: short stacking energy: -39.607
Base-Backbone interact. energy: -0.679
local terms energy: -74.508963
where:
bonds (distance) C4'-P energy: -18.134
bonds (distance) P-C4' energy: -27.173
flat angles C4'-P-C4' energy: -23.525
flat angles P-C4'-P energy: -3.033
tors. eta vs tors. theta energy: -2.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -518.291511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.291511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.291511 (E_RNA)
where:
Base-Base interactions energy: -360.028
where: short stacking energy: -147.579
Base-Backbone interact. energy: -1.506
local terms energy: -156.757042
where:
bonds (distance) C4'-P energy: -26.491
bonds (distance) P-C4' energy: -31.993
flat angles C4'-P-C4' energy: -31.026
flat angles P-C4'-P energy: -24.188
tors. eta vs tors. theta energy: -43.058
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: 2, replica: 5
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -511.075663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.075663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.075663 (E_RNA)
where:
Base-Base interactions energy: -354.255
where: short stacking energy: -142.195
Base-Backbone interact. energy: -0.005
local terms energy: -156.815858
where:
bonds (distance) C4'-P energy: -25.412
bonds (distance) P-C4' energy: -30.100
flat angles C4'-P-C4' energy: -29.416
flat angles P-C4'-P energy: -22.548
tors. eta vs tors. theta energy: -49.340
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: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -487.466944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.466944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.466944 (E_RNA)
where:
Base-Base interactions energy: -346.367
where: short stacking energy: -143.479
Base-Backbone interact. energy: -0.006
local terms energy: -141.094672
where:
bonds (distance) C4'-P energy: -21.696
bonds (distance) P-C4' energy: -29.273
flat angles C4'-P-C4' energy: -29.425
flat angles P-C4'-P energy: -23.325
tors. eta vs tors. theta energy: -37.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -465.322987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.322987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.322987 (E_RNA)
where:
Base-Base interactions energy: -304.976
where: short stacking energy: -149.199
Base-Backbone interact. energy: -0.336
local terms energy: -160.010918
where:
bonds (distance) C4'-P energy: -28.383
bonds (distance) P-C4' energy: -29.450
flat angles C4'-P-C4' energy: -34.061
flat angles P-C4'-P energy: -19.199
tors. eta vs tors. theta energy: -48.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -439.325188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.325188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.325188 (E_RNA)
where:
Base-Base interactions energy: -310.879
where: short stacking energy: -129.706
Base-Backbone interact. energy: 6.488
local terms energy: -134.934426
where:
bonds (distance) C4'-P energy: -23.876
bonds (distance) P-C4' energy: -23.074
flat angles C4'-P-C4' energy: -31.426
flat angles P-C4'-P energy: -20.703
tors. eta vs tors. theta energy: -35.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -427.614470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.614470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.614470 (E_RNA)
where:
Base-Base interactions energy: -300.880
where: short stacking energy: -119.990
Base-Backbone interact. energy: -0.268
local terms energy: -126.466030
where:
bonds (distance) C4'-P energy: -21.063
bonds (distance) P-C4' energy: -30.080
flat angles C4'-P-C4' energy: -28.316
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: -29.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -432.429171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.429171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.429171 (E_RNA)
where:
Base-Base interactions energy: -293.335
where: short stacking energy: -144.746
Base-Backbone interact. energy: -0.722
local terms energy: -138.372515
where:
bonds (distance) C4'-P energy: -23.155
bonds (distance) P-C4' energy: -21.206
flat angles C4'-P-C4' energy: -28.763
flat angles P-C4'-P energy: -23.511
tors. eta vs tors. theta energy: -41.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -313.896548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.896548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.896548 (E_RNA)
where:
Base-Base interactions energy: -203.687
where: short stacking energy: -97.277
Base-Backbone interact. energy: -0.432
local terms energy: -109.777674
where:
bonds (distance) C4'-P energy: -25.825
bonds (distance) P-C4' energy: -22.003
flat angles C4'-P-C4' energy: -20.251
flat angles P-C4'-P energy: -16.255
tors. eta vs tors. theta energy: -25.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -201.805669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.805669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.805669 (E_RNA)
where:
Base-Base interactions energy: -128.748
where: short stacking energy: -65.510
Base-Backbone interact. energy: -0.347
local terms energy: -72.710433
where:
bonds (distance) C4'-P energy: -21.560
bonds (distance) P-C4' energy: -22.762
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -7.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -135.945128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.945128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.945128 (E_RNA)
where:
Base-Base interactions energy: -54.756
where: short stacking energy: -43.580
Base-Backbone interact. energy: -0.231
local terms energy: -80.958733
where:
bonds (distance) C4'-P energy: -23.105
bonds (distance) P-C4' energy: -21.571
flat angles C4'-P-C4' energy: -20.987
flat angles P-C4'-P energy: -17.277
tors. eta vs tors. theta energy: 1.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -520.298151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.298151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.298151 (E_RNA)
where:
Base-Base interactions energy: -365.955
where: short stacking energy: -155.073
Base-Backbone interact. energy: -0.024
local terms energy: -154.319495
where:
bonds (distance) C4'-P energy: -33.662
bonds (distance) P-C4' energy: -25.833
flat angles C4'-P-C4' energy: -29.062
flat angles P-C4'-P energy: -21.565
tors. eta vs tors. theta energy: -44.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -522.943651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.943651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.943651 (E_RNA)
where:
Base-Base interactions energy: -357.273
where: short stacking energy: -153.077
Base-Backbone interact. energy: -0.610
local terms energy: -165.060372
where:
bonds (distance) C4'-P energy: -29.824
bonds (distance) P-C4' energy: -30.836
flat angles C4'-P-C4' energy: -32.779
flat angles P-C4'-P energy: -21.402
tors. eta vs tors. theta energy: -50.219
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: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -480.556588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.556588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.556588 (E_RNA)
where:
Base-Base interactions energy: -342.898
where: short stacking energy: -134.089
Base-Backbone interact. energy: -0.315
local terms energy: -137.344216
where:
bonds (distance) C4'-P energy: -28.859
bonds (distance) P-C4' energy: -26.368
flat angles C4'-P-C4' energy: -32.835
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -36.343
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: 3
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -457.912925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.912925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.912925 (E_RNA)
where:
Base-Base interactions energy: -312.324
where: short stacking energy: -144.399
Base-Backbone interact. energy: -0.233
local terms energy: -145.355313
where:
bonds (distance) C4'-P energy: -28.702
bonds (distance) P-C4' energy: -28.181
flat angles C4'-P-C4' energy: -26.866
flat angles P-C4'-P energy: -18.321
tors. eta vs tors. theta energy: -43.285
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: 1
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -439.700839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.700839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.700839 (E_RNA)
where:
Base-Base interactions energy: -303.721
where: short stacking energy: -131.421
Base-Backbone interact. energy: 2.526
local terms energy: -138.505822
where:
bonds (distance) C4'-P energy: -23.925
bonds (distance) P-C4' energy: -23.924
flat angles C4'-P-C4' energy: -31.385
flat angles P-C4'-P energy: -22.239
tors. eta vs tors. theta energy: -37.034
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: 6
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -437.891405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.891405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.891405 (E_RNA)
where:
Base-Base interactions energy: -294.551
where: short stacking energy: -140.541
Base-Backbone interact. energy: -0.821
local terms energy: -142.519308
where:
bonds (distance) C4'-P energy: -24.533
bonds (distance) P-C4' energy: -26.594
flat angles C4'-P-C4' energy: -28.472
flat angles P-C4'-P energy: -21.036
tors. eta vs tors. theta energy: -41.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -440.435629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.435629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.435629 (E_RNA)
where:
Base-Base interactions energy: -302.024
where: short stacking energy: -124.887
Base-Backbone interact. energy: -0.345
local terms energy: -138.067293
where:
bonds (distance) C4'-P energy: -30.325
bonds (distance) P-C4' energy: -24.849
flat angles C4'-P-C4' energy: -27.923
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -37.799
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: 10
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -328.963548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.963548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.963548 (E_RNA)
where:
Base-Base interactions energy: -218.651
where: short stacking energy: -104.755
Base-Backbone interact. energy: 0.891
local terms energy: -111.203738
where:
bonds (distance) C4'-P energy: -30.693
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -24.347
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -27.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -208.480565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.480565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.480565 (E_RNA)
where:
Base-Base interactions energy: -116.422
where: short stacking energy: -58.465
Base-Backbone interact. energy: 5.027
local terms energy: -97.085440
where:
bonds (distance) C4'-P energy: -24.139
bonds (distance) P-C4' energy: -26.859
flat angles C4'-P-C4' energy: -26.498
flat angles P-C4'-P energy: -17.250
tors. eta vs tors. theta energy: -2.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -140.486959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.486959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.486959 (E_RNA)
where:
Base-Base interactions energy: -58.665
where: short stacking energy: -56.171
Base-Backbone interact. energy: 0.632
local terms energy: -82.453942
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -24.361
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -16.851
tors. eta vs tors. theta energy: -4.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -511.736682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.736682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.736682 (E_RNA)
where:
Base-Base interactions energy: -350.468
where: short stacking energy: -150.274
Base-Backbone interact. energy: -0.291
local terms energy: -160.977393
where:
bonds (distance) C4'-P energy: -27.734
bonds (distance) P-C4' energy: -28.844
flat angles C4'-P-C4' energy: -31.426
flat angles P-C4'-P energy: -24.566
tors. eta vs tors. theta energy: -48.407
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: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -517.796480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.796480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.796480 (E_RNA)
where:
Base-Base interactions energy: -372.904
where: short stacking energy: -156.054
Base-Backbone interact. energy: -0.164
local terms energy: -144.727597
where:
bonds (distance) C4'-P energy: -26.372
bonds (distance) P-C4' energy: -26.626
flat angles C4'-P-C4' energy: -28.858
flat angles P-C4'-P energy: -19.682
tors. eta vs tors. theta energy: -43.188
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: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -482.468260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.468260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.468260 (E_RNA)
where:
Base-Base interactions energy: -331.371
where: short stacking energy: -153.181
Base-Backbone interact. energy: -0.134
local terms energy: -150.963735
where:
bonds (distance) C4'-P energy: -26.828
bonds (distance) P-C4' energy: -27.937
flat angles C4'-P-C4' energy: -31.375
flat angles P-C4'-P energy: -21.134
tors. eta vs tors. theta energy: -43.690
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: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -472.879463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.879463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.879463 (E_RNA)
where:
Base-Base interactions energy: -323.124
where: short stacking energy: -142.633
Base-Backbone interact. energy: 0.045
local terms energy: -149.800054
where:
bonds (distance) C4'-P energy: -25.330
bonds (distance) P-C4' energy: -24.957
flat angles C4'-P-C4' energy: -33.186
flat angles P-C4'-P energy: -20.938
tors. eta vs tors. theta energy: -45.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -444.763272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.763272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.763272 (E_RNA)
where:
Base-Base interactions energy: -312.461
where: short stacking energy: -124.093
Base-Backbone interact. energy: 0.506
local terms energy: -132.808799
where:
bonds (distance) C4'-P energy: -29.262
bonds (distance) P-C4' energy: -27.286
flat angles C4'-P-C4' energy: -25.746
flat angles P-C4'-P energy: -17.109
tors. eta vs tors. theta energy: -33.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -422.245482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.245482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.245482 (E_RNA)
where:
Base-Base interactions energy: -295.135
where: short stacking energy: -140.530
Base-Backbone interact. energy: -0.214
local terms energy: -126.896954
where:
bonds (distance) C4'-P energy: -20.887
bonds (distance) P-C4' energy: -19.554
flat angles C4'-P-C4' energy: -28.404
flat angles P-C4'-P energy: -21.444
tors. eta vs tors. theta energy: -36.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -420.953100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.953100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.953100 (E_RNA)
where:
Base-Base interactions energy: -300.084
where: short stacking energy: -127.647
Base-Backbone interact. energy: -0.895
local terms energy: -119.974728
where:
bonds (distance) C4'-P energy: -19.621
bonds (distance) P-C4' energy: -29.991
flat angles C4'-P-C4' energy: -20.123
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -32.832
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: 8, replica: 10
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -344.180393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.180393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.180393 (E_RNA)
where:
Base-Base interactions energy: -235.749
where: short stacking energy: -99.748
Base-Backbone interact. energy: -0.128
local terms energy: -108.303284
where:
bonds (distance) C4'-P energy: -22.196
bonds (distance) P-C4' energy: -22.637
flat angles C4'-P-C4' energy: -30.164
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -22.750
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: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -148.956528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.956528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.956528 (E_RNA)
where:
Base-Base interactions energy: -58.024
where: short stacking energy: -54.539
Base-Backbone interact. energy: -0.187
local terms energy: -90.745001
where:
bonds (distance) C4'-P energy: -21.150
bonds (distance) P-C4' energy: -25.851
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -14.272
tors. eta vs tors. theta energy: -10.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -193.776874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.776874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.776874 (E_RNA)
where:
Base-Base interactions energy: -99.187
where: short stacking energy: -57.865
Base-Backbone interact. energy: 1.312
local terms energy: -95.901659
where:
bonds (distance) C4'-P energy: -23.675
bonds (distance) P-C4' energy: -24.211
flat angles C4'-P-C4' energy: -25.198
flat angles P-C4'-P energy: -18.445
tors. eta vs tors. theta energy: -4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -522.062021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.062021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.062021 (E_RNA)
where:
Base-Base interactions energy: -370.209
where: short stacking energy: -156.039
Base-Backbone interact. energy: 3.124
local terms energy: -154.977468
where:
bonds (distance) C4'-P energy: -32.496
bonds (distance) P-C4' energy: -24.984
flat angles C4'-P-C4' energy: -28.143
flat angles P-C4'-P energy: -21.004
tors. eta vs tors. theta energy: -48.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -529.749618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.749618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.749618 (E_RNA)
where:
Base-Base interactions energy: -369.317
where: short stacking energy: -153.934
Base-Backbone interact. energy: -2.311
local terms energy: -158.120726
where:
bonds (distance) C4'-P energy: -28.137
bonds (distance) P-C4' energy: -23.645
flat angles C4'-P-C4' energy: -34.295
flat angles P-C4'-P energy: -25.403
tors. eta vs tors. theta energy: -46.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -500.527450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.527450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.527450 (E_RNA)
where:
Base-Base interactions energy: -367.643
where: short stacking energy: -148.126
Base-Backbone interact. energy: -0.129
local terms energy: -132.754643
where:
bonds (distance) C4'-P energy: -25.238
bonds (distance) P-C4' energy: -24.832
flat angles C4'-P-C4' energy: -27.571
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -39.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -451.506864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.506864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.506864 (E_RNA)
where:
Base-Base interactions energy: -306.577
where: short stacking energy: -123.252
Base-Backbone interact. energy: -1.256
local terms energy: -143.673965
where:
bonds (distance) C4'-P energy: -28.441
bonds (distance) P-C4' energy: -31.628
flat angles C4'-P-C4' energy: -32.161
flat angles P-C4'-P energy: -18.516
tors. eta vs tors. theta energy: -32.928
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: 265
Temperature: 1.100000
Total energy: -445.307509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.307509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.307509 (E_RNA)
where:
Base-Base interactions energy: -305.431
where: short stacking energy: -133.494
Base-Backbone interact. energy: -0.634
local terms energy: -139.242346
where:
bonds (distance) C4'-P energy: -23.075
bonds (distance) P-C4' energy: -25.020
flat angles C4'-P-C4' energy: -26.104
flat angles P-C4'-P energy: -23.642
tors. eta vs tors. theta energy: -41.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -455.660009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.660009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.660009 (E_RNA)
where:
Base-Base interactions energy: -322.368
where: short stacking energy: -131.169
Base-Backbone interact. energy: -1.276
local terms energy: -132.016032
where:
bonds (distance) C4'-P energy: -25.786
bonds (distance) P-C4' energy: -25.546
flat angles C4'-P-C4' energy: -28.878
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -37.405
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: 265
Temperature: 1.200000
Total energy: -430.272969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.272969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.272969 (E_RNA)
where:
Base-Base interactions energy: -293.657
where: short stacking energy: -126.825
Base-Backbone interact. energy: -1.210
local terms energy: -135.405814
where:
bonds (distance) C4'-P energy: -27.151
bonds (distance) P-C4' energy: -30.558
flat angles C4'-P-C4' energy: -27.110
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -42.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -344.781077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.781077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.781077 (E_RNA)
where:
Base-Base interactions energy: -225.439
where: short stacking energy: -96.598
Base-Backbone interact. energy: -0.259
local terms energy: -119.082225
where:
bonds (distance) C4'-P energy: -26.830
bonds (distance) P-C4' energy: -23.081
flat angles C4'-P-C4' energy: -27.356
flat angles P-C4'-P energy: -17.351
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: 9, replica: 7
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -163.797993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.797993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.797993 (E_RNA)
where:
Base-Base interactions energy: -78.728
where: short stacking energy: -49.020
Base-Backbone interact. energy: -0.348
local terms energy: -84.721095
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -25.660
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -16.562
tors. eta vs tors. theta energy: -11.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -206.865432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.865432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.865432 (E_RNA)
where:
Base-Base interactions energy: -116.529
where: short stacking energy: -58.822
Base-Backbone interact. energy: -0.744
local terms energy: -89.591764
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -27.171
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -8.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -540.188245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.188245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.188245 (E_RNA)
where:
Base-Base interactions energy: -383.037
where: short stacking energy: -151.317
Base-Backbone interact. energy: -0.124
local terms energy: -157.027214
where:
bonds (distance) C4'-P energy: -26.379
bonds (distance) P-C4' energy: -30.044
flat angles C4'-P-C4' energy: -28.333
flat angles P-C4'-P energy: -24.489
tors. eta vs tors. theta energy: -47.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -517.639966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.639966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.639966 (E_RNA)
where:
Base-Base interactions energy: -366.272
where: short stacking energy: -152.181
Base-Backbone interact. energy: -0.458
local terms energy: -150.909399
where:
bonds (distance) C4'-P energy: -22.028
bonds (distance) P-C4' energy: -31.303
flat angles C4'-P-C4' energy: -29.436
flat angles P-C4'-P energy: -22.626
tors. eta vs tors. theta energy: -45.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -480.216901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.216901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.216901 (E_RNA)
where:
Base-Base interactions energy: -334.824
where: short stacking energy: -134.428
Base-Backbone interact. energy: -0.157
local terms energy: -145.236023
where:
bonds (distance) C4'-P energy: -27.332
bonds (distance) P-C4' energy: -25.042
flat angles C4'-P-C4' energy: -31.949
flat angles P-C4'-P energy: -22.219
tors. eta vs tors. theta energy: -38.694
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: 4, replica: 1
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -428.895882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.895882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.895882 (E_RNA)
where:
Base-Base interactions energy: -290.549
where: short stacking energy: -125.284
Base-Backbone interact. energy: -2.719
local terms energy: -135.627251
where:
bonds (distance) C4'-P energy: -33.740
bonds (distance) P-C4' energy: -27.995
flat angles C4'-P-C4' energy: -26.091
flat angles P-C4'-P energy: -17.099
tors. eta vs tors. theta energy: -30.701
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: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -461.053177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.053177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.053177 (E_RNA)
where:
Base-Base interactions energy: -330.282
where: short stacking energy: -130.071
Base-Backbone interact. energy: -0.282
local terms energy: -130.489319
where:
bonds (distance) C4'-P energy: -25.483
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -32.279
flat angles P-C4'-P energy: -21.509
tors. eta vs tors. theta energy: -35.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -410.304351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.304351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.304351 (E_RNA)
where:
Base-Base interactions energy: -280.557
where: short stacking energy: -128.044
Base-Backbone interact. energy: 0.095
local terms energy: -129.842445
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -28.121
flat angles C4'-P-C4' energy: -28.460
flat angles P-C4'-P energy: -20.269
tors. eta vs tors. theta energy: -33.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -426.519786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.519786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.519786 (E_RNA)
where:
Base-Base interactions energy: -289.363
where: short stacking energy: -131.010
Base-Backbone interact. energy: -0.083
local terms energy: -137.073603
where:
bonds (distance) C4'-P energy: -23.246
bonds (distance) P-C4' energy: -31.107
flat angles C4'-P-C4' energy: -29.685
flat angles P-C4'-P energy: -22.599
tors. eta vs tors. theta energy: -30.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -343.051016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.051016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.051016 (E_RNA)
where:
Base-Base interactions energy: -225.000
where: short stacking energy: -89.024
Base-Backbone interact. energy: -0.504
local terms energy: -117.547373
where:
bonds (distance) C4'-P energy: -26.991
bonds (distance) P-C4' energy: -26.674
flat angles C4'-P-C4' energy: -24.339
flat angles P-C4'-P energy: -18.300
tors. eta vs tors. theta energy: -21.244
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: 4
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -300.636730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.636730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.636730 (E_RNA)
where:
Base-Base interactions energy: -191.202
where: short stacking energy: -90.153
Base-Backbone interact. energy: -0.200
local terms energy: -109.235241
where:
bonds (distance) C4'-P energy: -26.337
bonds (distance) P-C4' energy: -20.410
flat angles C4'-P-C4' energy: -22.973
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -26.061
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: 7
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -136.656473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.656473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.656473 (E_RNA)
where:
Base-Base interactions energy: -56.578
where: short stacking energy: -29.104
Base-Backbone interact. energy: 0.947
local terms energy: -81.024968
where:
bonds (distance) C4'-P energy: -26.236
bonds (distance) P-C4' energy: -26.261
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: 5.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -530.517558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.517558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.517558 (E_RNA)
where:
Base-Base interactions energy: -373.582
where: short stacking energy: -149.253
Base-Backbone interact. energy: -0.287
local terms energy: -156.648509
where:
bonds (distance) C4'-P energy: -31.252
bonds (distance) P-C4' energy: -28.428
flat angles C4'-P-C4' energy: -31.257
flat angles P-C4'-P energy: -21.756
tors. eta vs tors. theta energy: -43.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -531.770316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.770316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.770316 (E_RNA)
where:
Base-Base interactions energy: -377.842
where: short stacking energy: -149.582
Base-Backbone interact. energy: 1.107
local terms energy: -155.035055
where:
bonds (distance) C4'-P energy: -24.402
bonds (distance) P-C4' energy: -30.128
flat angles C4'-P-C4' energy: -32.925
flat angles P-C4'-P energy: -21.891
tors. eta vs tors. theta energy: -45.689
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: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -472.577122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.577122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.577122 (E_RNA)
where:
Base-Base interactions energy: -325.029
where: short stacking energy: -135.501
Base-Backbone interact. energy: -1.989
local terms energy: -145.559540
where:
bonds (distance) C4'-P energy: -27.856
bonds (distance) P-C4' energy: -31.692
flat angles C4'-P-C4' energy: -32.275
flat angles P-C4'-P energy: -19.129
tors. eta vs tors. theta energy: -34.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -468.113034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.113034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.113034 (E_RNA)
where:
Base-Base interactions energy: -327.484
where: short stacking energy: -134.638
Base-Backbone interact. energy: -0.322
local terms energy: -140.306990
where:
bonds (distance) C4'-P energy: -23.355
bonds (distance) P-C4' energy: -27.429
flat angles C4'-P-C4' energy: -28.908
flat angles P-C4'-P energy: -23.524
tors. eta vs tors. theta energy: -37.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -429.724825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.724825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.724825 (E_RNA)
where:
Base-Base interactions energy: -304.105
where: short stacking energy: -119.018
Base-Backbone interact. energy: -0.552
local terms energy: -125.067735
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -22.031
flat angles C4'-P-C4' energy: -25.644
flat angles P-C4'-P energy: -20.903
tors. eta vs tors. theta energy: -35.977
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: 6
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -426.919637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.919637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.919637 (E_RNA)
where:
Base-Base interactions energy: -294.985
where: short stacking energy: -127.127
Base-Backbone interact. energy: -0.032
local terms energy: -131.902759
where:
bonds (distance) C4'-P energy: -22.585
bonds (distance) P-C4' energy: -28.788
flat angles C4'-P-C4' energy: -27.528
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -38.360
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: 3
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -414.175109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.175109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.175109 (E_RNA)
where:
Base-Base interactions energy: -284.205
where: short stacking energy: -127.730
Base-Backbone interact. energy: -0.007
local terms energy: -129.963167
where:
bonds (distance) C4'-P energy: -27.519
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -28.099
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -41.373
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: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -328.080690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.080690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.080690 (E_RNA)
where:
Base-Base interactions energy: -223.088
where: short stacking energy: -92.929
Base-Backbone interact. energy: -1.931
local terms energy: -103.061535
where:
bonds (distance) C4'-P energy: -27.717
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -28.101
flat angles P-C4'-P energy: -17.739
tors. eta vs tors. theta energy: -15.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -315.442473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.442473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.442473 (E_RNA)
where:
Base-Base interactions energy: -213.965
where: short stacking energy: -97.042
Base-Backbone interact. energy: -0.064
local terms energy: -101.413396
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -28.593
flat angles C4'-P-C4' energy: -22.728
flat angles P-C4'-P energy: -17.021
tors. eta vs tors. theta energy: -17.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -129.118638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.118638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.118638 (E_RNA)
where:
Base-Base interactions energy: -58.550
where: short stacking energy: -45.088
Base-Backbone interact. energy: 1.795
local terms energy: -72.363951
where:
bonds (distance) C4'-P energy: -24.756
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -23.413
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: 1.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -523.826173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.826173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.826173 (E_RNA)
where:
Base-Base interactions energy: -369.272
where: short stacking energy: -151.253
Base-Backbone interact. energy: -0.163
local terms energy: -154.390920
where:
bonds (distance) C4'-P energy: -29.939
bonds (distance) P-C4' energy: -26.930
flat angles C4'-P-C4' energy: -28.744
flat angles P-C4'-P energy: -21.392
tors. eta vs tors. theta energy: -47.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -527.013788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.013788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.013788 (E_RNA)
where:
Base-Base interactions energy: -363.472
where: short stacking energy: -153.985
Base-Backbone interact. energy: -0.053
local terms energy: -163.488161
where:
bonds (distance) C4'-P energy: -26.487
bonds (distance) P-C4' energy: -31.784
flat angles C4'-P-C4' energy: -32.853
flat angles P-C4'-P energy: -23.056
tors. eta vs tors. theta energy: -49.309
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: 8
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -482.356704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.356704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.356704 (E_RNA)
where:
Base-Base interactions energy: -338.161
where: short stacking energy: -141.469
Base-Backbone interact. energy: -0.304
local terms energy: -143.892051
where:
bonds (distance) C4'-P energy: -29.848
bonds (distance) P-C4' energy: -25.567
flat angles C4'-P-C4' energy: -29.979
flat angles P-C4'-P energy: -20.547
tors. eta vs tors. theta energy: -37.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -470.030035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.030035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.030035 (E_RNA)
where:
Base-Base interactions energy: -330.146
where: short stacking energy: -135.407
Base-Backbone interact. energy: -0.301
local terms energy: -139.583160
where:
bonds (distance) C4'-P energy: -23.385
bonds (distance) P-C4' energy: -27.297
flat angles C4'-P-C4' energy: -29.163
flat angles P-C4'-P energy: -24.414
tors. eta vs tors. theta energy: -35.325
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: 1
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -439.112353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.112353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.112353 (E_RNA)
where:
Base-Base interactions energy: -306.747
where: short stacking energy: -125.876
Base-Backbone interact. energy: -0.514
local terms energy: -131.852060
where:
bonds (distance) C4'-P energy: -22.733
bonds (distance) P-C4' energy: -29.070
flat angles C4'-P-C4' energy: -25.350
flat angles P-C4'-P energy: -19.157
tors. eta vs tors. theta energy: -35.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -435.069957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.069957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.069957 (E_RNA)
where:
Base-Base interactions energy: -295.596
where: short stacking energy: -139.670
Base-Backbone interact. energy: -0.468
local terms energy: -139.005884
where:
bonds (distance) C4'-P energy: -23.807
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -31.566
flat angles P-C4'-P energy: -19.423
tors. eta vs tors. theta energy: -43.959
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: 3
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -395.698970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.698970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.698970 (E_RNA)
where:
Base-Base interactions energy: -263.398
where: short stacking energy: -114.824
Base-Backbone interact. energy: -0.389
local terms energy: -131.911540
where:
bonds (distance) C4'-P energy: -26.450
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -31.047
flat angles P-C4'-P energy: -17.192
tors. eta vs tors. theta energy: -40.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -279.955835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.955835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.955835 (E_RNA)
where:
Base-Base interactions energy: -175.580
where: short stacking energy: -76.875
Base-Backbone interact. energy: -0.568
local terms energy: -103.807605
where:
bonds (distance) C4'-P energy: -27.158
bonds (distance) P-C4' energy: -25.810
flat angles C4'-P-C4' energy: -27.544
flat angles P-C4'-P energy: -14.763
tors. eta vs tors. theta energy: -8.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -317.854372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.854372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.854372 (E_RNA)
where:
Base-Base interactions energy: -208.891
where: short stacking energy: -90.773
Base-Backbone interact. energy: -0.505
local terms energy: -108.458835
where:
bonds (distance) C4'-P energy: -18.837
bonds (distance) P-C4' energy: -24.633
flat angles C4'-P-C4' energy: -32.276
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -15.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -131.454194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.454194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.454194 (E_RNA)
where:
Base-Base interactions energy: -44.019
where: short stacking energy: -38.997
Base-Backbone interact. energy: 0.196
local terms energy: -87.630802
where:
bonds (distance) C4'-P energy: -18.600
bonds (distance) P-C4' energy: -29.297
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -18.654
tors. eta vs tors. theta energy: -3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -528.036065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.036065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.036065 (E_RNA)
where:
Base-Base interactions energy: -370.233
where: short stacking energy: -149.251
Base-Backbone interact. energy: -0.516
local terms energy: -157.287063
where:
bonds (distance) C4'-P energy: -25.516
bonds (distance) P-C4' energy: -31.685
flat angles C4'-P-C4' energy: -31.467
flat angles P-C4'-P energy: -24.942
tors. eta vs tors. theta energy: -43.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -536.582849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.582849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.582849 (E_RNA)
where:
Base-Base interactions energy: -373.092
where: short stacking energy: -148.246
Base-Backbone interact. energy: -0.035
local terms energy: -163.455967
where:
bonds (distance) C4'-P energy: -26.931
bonds (distance) P-C4' energy: -30.400
flat angles C4'-P-C4' energy: -33.909
flat angles P-C4'-P energy: -23.465
tors. eta vs tors. theta energy: -48.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -480.102799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.102799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.102799 (E_RNA)
where:
Base-Base interactions energy: -328.432
where: short stacking energy: -146.743
Base-Backbone interact. energy: -0.213
local terms energy: -151.457818
where:
bonds (distance) C4'-P energy: -31.259
bonds (distance) P-C4' energy: -28.689
flat angles C4'-P-C4' energy: -26.466
flat angles P-C4'-P energy: -22.468
tors. eta vs tors. theta energy: -42.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -465.479756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.479756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.479756 (E_RNA)
where:
Base-Base interactions energy: -327.865
where: short stacking energy: -141.980
Base-Backbone interact. energy: -0.009
local terms energy: -137.605602
where:
bonds (distance) C4'-P energy: -24.768
bonds (distance) P-C4' energy: -27.188
flat angles C4'-P-C4' energy: -27.333
flat angles P-C4'-P energy: -18.522
tors. eta vs tors. theta energy: -39.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -428.361345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.361345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.361345 (E_RNA)
where:
Base-Base interactions energy: -292.998
where: short stacking energy: -122.669
Base-Backbone interact. energy: -0.375
local terms energy: -134.988467
where:
bonds (distance) C4'-P energy: -22.289
bonds (distance) P-C4' energy: -26.339
flat angles C4'-P-C4' energy: -29.926
flat angles P-C4'-P energy: -21.020
tors. eta vs tors. theta energy: -35.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -402.417267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.417267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.417267 (E_RNA)
where:
Base-Base interactions energy: -268.737
where: short stacking energy: -113.454
Base-Backbone interact. energy: -1.491
local terms energy: -132.189258
where:
bonds (distance) C4'-P energy: -23.417
bonds (distance) P-C4' energy: -26.044
flat angles C4'-P-C4' energy: -32.875
flat angles P-C4'-P energy: -15.837
tors. eta vs tors. theta energy: -34.017
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: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -430.069186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.069186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.069186 (E_RNA)
where:
Base-Base interactions energy: -293.553
where: short stacking energy: -130.521
Base-Backbone interact. energy: 0.285
local terms energy: -136.800976
where:
bonds (distance) C4'-P energy: -21.073
bonds (distance) P-C4' energy: -28.389
flat angles C4'-P-C4' energy: -29.758
flat angles P-C4'-P energy: -20.815
tors. eta vs tors. theta energy: -36.766
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: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -370.220802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.220802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.220802 (E_RNA)
where:
Base-Base interactions energy: -265.978
where: short stacking energy: -112.607
Base-Backbone interact. energy: -0.772
local terms energy: -103.470449
where:
bonds (distance) C4'-P energy: -19.229
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -27.029
flat angles P-C4'-P energy: -15.988
tors. eta vs tors. theta energy: -22.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -273.813131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.813131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.813131 (E_RNA)
where:
Base-Base interactions energy: -183.232
where: short stacking energy: -87.252
Base-Backbone interact. energy: -0.694
local terms energy: -89.887116
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -22.245
flat angles C4'-P-C4' energy: -25.744
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -14.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -144.248314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.248314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.248314 (E_RNA)
where:
Base-Base interactions energy: -60.602
where: short stacking energy: -42.187
Base-Backbone interact. energy: 0.408
local terms energy: -84.055019
where:
bonds (distance) C4'-P energy: -27.970
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -19.584
flat angles P-C4'-P energy: -19.802
tors. eta vs tors. theta energy: 1.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -527.697905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.697905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.697905 (E_RNA)
where:
Base-Base interactions energy: -372.519
where: short stacking energy: -145.373
Base-Backbone interact. energy: -0.393
local terms energy: -154.786038
where:
bonds (distance) C4'-P energy: -30.144
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -31.258
flat angles P-C4'-P energy: -23.811
tors. eta vs tors. theta energy: -44.751
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: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -540.574705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.574705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.574705 (E_RNA)
where:
Base-Base interactions energy: -382.716
where: short stacking energy: -151.529
Base-Backbone interact. energy: -0.245
local terms energy: -157.613644
where:
bonds (distance) C4'-P energy: -30.495
bonds (distance) P-C4' energy: -31.939
flat angles C4'-P-C4' energy: -32.954
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -47.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -473.532248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.532248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.532248 (E_RNA)
where:
Base-Base interactions energy: -317.305
where: short stacking energy: -140.995
Base-Backbone interact. energy: -0.144
local terms energy: -156.082743
where:
bonds (distance) C4'-P energy: -32.502
bonds (distance) P-C4' energy: -28.970
flat angles C4'-P-C4' energy: -32.978
flat angles P-C4'-P energy: -19.493
tors. eta vs tors. theta energy: -42.140
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: 8
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -465.817905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.817905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.817905 (E_RNA)
where:
Base-Base interactions energy: -317.013
where: short stacking energy: -137.006
Base-Backbone interact. energy: 0.702
local terms energy: -149.507007
where:
bonds (distance) C4'-P energy: -28.441
bonds (distance) P-C4' energy: -26.348
flat angles C4'-P-C4' energy: -29.473
flat angles P-C4'-P energy: -22.419
tors. eta vs tors. theta energy: -42.826
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: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -433.598192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.598192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.598192 (E_RNA)
where:
Base-Base interactions energy: -303.497
where: short stacking energy: -139.820
Base-Backbone interact. energy: -0.551
local terms energy: -129.549667
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -26.729
flat angles C4'-P-C4' energy: -28.620
flat angles P-C4'-P energy: -17.949
tors. eta vs tors. theta energy: -36.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -412.823578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.823578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.823578 (E_RNA)
where:
Base-Base interactions energy: -287.910
where: short stacking energy: -118.979
Base-Backbone interact. energy: -0.346
local terms energy: -124.568299
where:
bonds (distance) C4'-P energy: -19.374
bonds (distance) P-C4' energy: -26.799
flat angles C4'-P-C4' energy: -29.089
flat angles P-C4'-P energy: -21.363
tors. eta vs tors. theta energy: -27.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -399.501312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.501312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.501312 (E_RNA)
where:
Base-Base interactions energy: -278.930
where: short stacking energy: -110.917
Base-Backbone interact. energy: -1.448
local terms energy: -119.124277
where:
bonds (distance) C4'-P energy: -23.946
bonds (distance) P-C4' energy: -26.654
flat angles C4'-P-C4' energy: -24.984
flat angles P-C4'-P energy: -16.078
tors. eta vs tors. theta energy: -27.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -387.337725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.337725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.337725 (E_RNA)
where:
Base-Base interactions energy: -281.165
where: short stacking energy: -121.161
Base-Backbone interact. energy: 1.045
local terms energy: -107.217894
where:
bonds (distance) C4'-P energy: -22.975
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -24.789
flat angles P-C4'-P energy: -17.358
tors. eta vs tors. theta energy: -26.650
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: 9, replica: 4
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -262.444367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.444367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.444367 (E_RNA)
where:
Base-Base interactions energy: -177.309
where: short stacking energy: -69.832
Base-Backbone interact. energy: 0.627
local terms energy: -85.761903
where:
bonds (distance) C4'-P energy: -26.935
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -22.434
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -9.984
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: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -127.757791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.757791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.757791 (E_RNA)
where:
Base-Base interactions energy: -40.226
where: short stacking energy: -38.195
Base-Backbone interact. energy: -1.602
local terms energy: -85.929659
where:
bonds (distance) C4'-P energy: -24.629
bonds (distance) P-C4' energy: -24.414
flat angles C4'-P-C4' energy: -21.559
flat angles P-C4'-P energy: -15.014
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: 1, replica: 5
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -530.414344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.414344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.414344 (E_RNA)
where:
Base-Base interactions energy: -375.651
where: short stacking energy: -154.380
Base-Backbone interact. energy: -0.160
local terms energy: -154.603804
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -27.414
flat angles C4'-P-C4' energy: -31.665
flat angles P-C4'-P energy: -23.910
tors. eta vs tors. theta energy: -46.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -524.586445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.586445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.586445 (E_RNA)
where:
Base-Base interactions energy: -371.042
where: short stacking energy: -157.839
Base-Backbone interact. energy: -0.285
local terms energy: -153.259623
where:
bonds (distance) C4'-P energy: -25.068
bonds (distance) P-C4' energy: -24.721
flat angles C4'-P-C4' energy: -32.242
flat angles P-C4'-P energy: -23.585
tors. eta vs tors. theta energy: -47.644
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: 3, replica: 9
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -490.115231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.115231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.115231 (E_RNA)
where:
Base-Base interactions energy: -348.803
where: short stacking energy: -138.527
Base-Backbone interact. energy: -0.355
local terms energy: -140.957458
where:
bonds (distance) C4'-P energy: -22.526
bonds (distance) P-C4' energy: -33.021
flat angles C4'-P-C4' energy: -28.230
flat angles P-C4'-P energy: -20.352
tors. eta vs tors. theta energy: -36.828
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: 3
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -451.766461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.766461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.766461 (E_RNA)
where:
Base-Base interactions energy: -307.565
where: short stacking energy: -136.787
Base-Backbone interact. energy: 1.834
local terms energy: -146.034934
where:
bonds (distance) C4'-P energy: -28.210
bonds (distance) P-C4' energy: -26.518
flat angles C4'-P-C4' energy: -29.984
flat angles P-C4'-P energy: -21.780
tors. eta vs tors. theta energy: -39.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -448.671739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.671739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.671739 (E_RNA)
where:
Base-Base interactions energy: -319.363
where: short stacking energy: -121.729
Base-Backbone interact. energy: -0.355
local terms energy: -128.954029
where:
bonds (distance) C4'-P energy: -26.350
bonds (distance) P-C4' energy: -20.893
flat angles C4'-P-C4' energy: -31.053
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -35.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -401.789247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.789247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.789247 (E_RNA)
where:
Base-Base interactions energy: -272.345
where: short stacking energy: -111.548
Base-Backbone interact. energy: -0.177
local terms energy: -129.267484
where:
bonds (distance) C4'-P energy: -27.419
bonds (distance) P-C4' energy: -28.577
flat angles C4'-P-C4' energy: -25.533
flat angles P-C4'-P energy: -23.212
tors. eta vs tors. theta energy: -24.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -409.033849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.033849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.033849 (E_RNA)
where:
Base-Base interactions energy: -281.030
where: short stacking energy: -114.627
Base-Backbone interact. energy: -1.631
local terms energy: -126.372245
where:
bonds (distance) C4'-P energy: -24.342
bonds (distance) P-C4' energy: -25.357
flat angles C4'-P-C4' energy: -32.538
flat angles P-C4'-P energy: -15.921
tors. eta vs tors. theta energy: -28.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -387.970141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.970141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.970141 (E_RNA)
where:
Base-Base interactions energy: -261.603
where: short stacking energy: -118.295
Base-Backbone interact. energy: -0.214
local terms energy: -126.152350
where:
bonds (distance) C4'-P energy: -21.436
bonds (distance) P-C4' energy: -20.683
flat angles C4'-P-C4' energy: -28.002
flat angles P-C4'-P energy: -20.319
tors. eta vs tors. theta energy: -35.713
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: 9, replica: 4
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -276.197008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.197008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.197008 (E_RNA)
where:
Base-Base interactions energy: -185.461
where: short stacking energy: -77.098
Base-Backbone interact. energy: -4.026
local terms energy: -86.710779
where:
bonds (distance) C4'-P energy: -20.679
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -24.049
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -136.675667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.675667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.675667 (E_RNA)
where:
Base-Base interactions energy: -54.481
where: short stacking energy: -50.150
Base-Backbone interact. energy: -0.423
local terms energy: -81.772211
where:
bonds (distance) C4'-P energy: -23.794
bonds (distance) P-C4' energy: -27.466
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -1.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -540.743277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.743277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.743277 (E_RNA)
where:
Base-Base interactions energy: -377.413
where: short stacking energy: -160.244
Base-Backbone interact. energy: -0.042
local terms energy: -163.288014
where:
bonds (distance) C4'-P energy: -25.668
bonds (distance) P-C4' energy: -29.042
flat angles C4'-P-C4' energy: -35.193
flat angles P-C4'-P energy: -25.652
tors. eta vs tors. theta energy: -47.733
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: 5
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -529.671610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.671610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.671610 (E_RNA)
where:
Base-Base interactions energy: -379.616
where: short stacking energy: -153.466
Base-Backbone interact. energy: -0.012
local terms energy: -150.043474
where:
bonds (distance) C4'-P energy: -26.132
bonds (distance) P-C4' energy: -26.806
flat angles C4'-P-C4' energy: -31.956
flat angles P-C4'-P energy: -20.110
tors. eta vs tors. theta energy: -45.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -456.614413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.614413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.614413 (E_RNA)
where:
Base-Base interactions energy: -319.677
where: short stacking energy: -143.539
Base-Backbone interact. energy: -0.112
local terms energy: -136.825397
where:
bonds (distance) C4'-P energy: -30.689
bonds (distance) P-C4' energy: -24.766
flat angles C4'-P-C4' energy: -23.310
flat angles P-C4'-P energy: -17.670
tors. eta vs tors. theta energy: -40.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -477.994089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.994089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.994089 (E_RNA)
where:
Base-Base interactions energy: -331.834
where: short stacking energy: -136.430
Base-Backbone interact. energy: -0.164
local terms energy: -145.995987
where:
bonds (distance) C4'-P energy: -26.005
bonds (distance) P-C4' energy: -30.263
flat angles C4'-P-C4' energy: -28.572
flat angles P-C4'-P energy: -21.819
tors. eta vs tors. theta energy: -39.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -472.644939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.644939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.644939 (E_RNA)
where:
Base-Base interactions energy: -335.352
where: short stacking energy: -139.470
Base-Backbone interact. energy: -0.105
local terms energy: -137.188231
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -26.005
flat angles C4'-P-C4' energy: -29.426
flat angles P-C4'-P energy: -18.426
tors. eta vs tors. theta energy: -41.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -435.084084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.084084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.084084 (E_RNA)
where:
Base-Base interactions energy: -306.398
where: short stacking energy: -125.257
Base-Backbone interact. energy: -0.774
local terms energy: -127.911618
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -27.258
flat angles C4'-P-C4' energy: -31.778
flat angles P-C4'-P energy: -18.593
tors. eta vs tors. theta energy: -31.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -421.561819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.561819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.561819 (E_RNA)
where:
Base-Base interactions energy: -287.923
where: short stacking energy: -132.193
Base-Backbone interact. energy: -0.956
local terms energy: -132.682728
where:
bonds (distance) C4'-P energy: -20.261
bonds (distance) P-C4' energy: -30.130
flat angles C4'-P-C4' energy: -23.772
flat angles P-C4'-P energy: -17.813
tors. eta vs tors. theta energy: -40.706
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: 272
Temperature: 1.250000
Total energy: -357.613719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.613719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.613719 (E_RNA)
where:
Base-Base interactions energy: -245.178
where: short stacking energy: -94.632
Base-Backbone interact. energy: 1.432
local terms energy: -113.867818
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -25.347
flat angles C4'-P-C4' energy: -27.401
flat angles P-C4'-P energy: -23.123
tors. eta vs tors. theta energy: -19.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -288.778707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.778707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.778707 (E_RNA)
where:
Base-Base interactions energy: -188.425
where: short stacking energy: -87.843
Base-Backbone interact. energy: -1.536
local terms energy: -98.817245
where:
bonds (distance) C4'-P energy: -21.040
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -27.616
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -15.719
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: 7
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -143.499847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.499847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.499847 (E_RNA)
where:
Base-Base interactions energy: -54.889
where: short stacking energy: -54.271
Base-Backbone interact. energy: -0.466
local terms energy: -88.145174
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -24.311
flat angles C4'-P-C4' energy: -29.459
flat angles P-C4'-P energy: -15.777
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: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -536.379573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.379573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.379573 (E_RNA)
where:
Base-Base interactions energy: -378.004
where: short stacking energy: -157.732
Base-Backbone interact. energy: -0.005
local terms energy: -158.370098
where:
bonds (distance) C4'-P energy: -24.860
bonds (distance) P-C4' energy: -33.207
flat angles C4'-P-C4' energy: -29.401
flat angles P-C4'-P energy: -23.361
tors. eta vs tors. theta energy: -47.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -518.917612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.917612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.917612 (E_RNA)
where:
Base-Base interactions energy: -374.519
where: short stacking energy: -149.314
Base-Backbone interact. energy: 0.160
local terms energy: -144.558705
where:
bonds (distance) C4'-P energy: -28.502
bonds (distance) P-C4' energy: -26.032
flat angles C4'-P-C4' energy: -31.931
flat angles P-C4'-P energy: -13.725
tors. eta vs tors. theta energy: -44.369
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: 3
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -468.681927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.681927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.681927 (E_RNA)
where:
Base-Base interactions energy: -321.469
where: short stacking energy: -153.407
Base-Backbone interact. energy: -0.037
local terms energy: -147.176234
where:
bonds (distance) C4'-P energy: -28.421
bonds (distance) P-C4' energy: -26.404
flat angles C4'-P-C4' energy: -29.086
flat angles P-C4'-P energy: -22.801
tors. eta vs tors. theta energy: -40.464
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: 9
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -486.920526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.920526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.920526 (E_RNA)
where:
Base-Base interactions energy: -337.942
where: short stacking energy: -149.454
Base-Backbone interact. energy: -0.155
local terms energy: -148.822954
where:
bonds (distance) C4'-P energy: -24.525
bonds (distance) P-C4' energy: -27.824
flat angles C4'-P-C4' energy: -34.037
flat angles P-C4'-P energy: -24.873
tors. eta vs tors. theta energy: -37.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -464.240004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.240004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.240004 (E_RNA)
where:
Base-Base interactions energy: -326.901
where: short stacking energy: -144.641
Base-Backbone interact. energy: -0.964
local terms energy: -136.375406
where:
bonds (distance) C4'-P energy: -22.528
bonds (distance) P-C4' energy: -26.193
flat angles C4'-P-C4' energy: -28.256
flat angles P-C4'-P energy: -20.207
tors. eta vs tors. theta energy: -39.192
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: 6
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -409.144618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.144618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.144618 (E_RNA)
where:
Base-Base interactions energy: -278.572
where: short stacking energy: -122.175
Base-Backbone interact. energy: 6.184
local terms energy: -136.756280
where:
bonds (distance) C4'-P energy: -28.688
bonds (distance) P-C4' energy: -21.252
flat angles C4'-P-C4' energy: -29.971
flat angles P-C4'-P energy: -19.599
tors. eta vs tors. theta energy: -37.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -402.812805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.812805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.812805 (E_RNA)
where:
Base-Base interactions energy: -289.296
where: short stacking energy: -115.563
Base-Backbone interact. energy: -0.204
local terms energy: -113.312731
where:
bonds (distance) C4'-P energy: -22.546
bonds (distance) P-C4' energy: -23.901
flat angles C4'-P-C4' energy: -26.618
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -28.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -347.063173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.063173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.063173 (E_RNA)
where:
Base-Base interactions energy: -223.502
where: short stacking energy: -100.058
Base-Backbone interact. energy: 1.813
local terms energy: -125.374598
where:
bonds (distance) C4'-P energy: -25.439
bonds (distance) P-C4' energy: -29.198
flat angles C4'-P-C4' energy: -27.914
flat angles P-C4'-P energy: -21.268
tors. eta vs tors. theta energy: -21.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -195.571038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.571038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.571038 (E_RNA)
where:
Base-Base interactions energy: -105.136
where: short stacking energy: -62.806
Base-Backbone interact. energy: 0.811
local terms energy: -91.245703
where:
bonds (distance) C4'-P energy: -22.761
bonds (distance) P-C4' energy: -22.683
flat angles C4'-P-C4' energy: -24.992
flat angles P-C4'-P energy: -16.116
tors. eta vs tors. theta energy: -4.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -134.405301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.405301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.405301 (E_RNA)
where:
Base-Base interactions energy: -45.180
where: short stacking energy: -36.815
Base-Backbone interact. energy: -0.183
local terms energy: -89.042604
where:
bonds (distance) C4'-P energy: -25.307
bonds (distance) P-C4' energy: -29.015
flat angles C4'-P-C4' energy: -24.147
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: 0.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -525.739501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.739501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.739501 (E_RNA)
where:
Base-Base interactions energy: -375.055
where: short stacking energy: -142.316
Base-Backbone interact. energy: -0.621
local terms energy: -150.063807
where:
bonds (distance) C4'-P energy: -23.871
bonds (distance) P-C4' energy: -29.607
flat angles C4'-P-C4' energy: -28.678
flat angles P-C4'-P energy: -22.991
tors. eta vs tors. theta energy: -44.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -528.921365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.921365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.921365 (E_RNA)
where:
Base-Base interactions energy: -386.495
where: short stacking energy: -150.407
Base-Backbone interact. energy: 0.299
local terms energy: -142.724966
where:
bonds (distance) C4'-P energy: -21.077
bonds (distance) P-C4' energy: -26.147
flat angles C4'-P-C4' energy: -30.181
flat angles P-C4'-P energy: -18.403
tors. eta vs tors. theta energy: -46.917
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: 9
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -490.214380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.214380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.214380 (E_RNA)
where:
Base-Base interactions energy: -347.644
where: short stacking energy: -145.627
Base-Backbone interact. energy: -0.105
local terms energy: -142.465668
where:
bonds (distance) C4'-P energy: -27.817
bonds (distance) P-C4' energy: -27.004
flat angles C4'-P-C4' energy: -31.084
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -41.244
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: 3
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -452.425322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.425322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.425322 (E_RNA)
where:
Base-Base interactions energy: -302.631
where: short stacking energy: -127.303
Base-Backbone interact. energy: -1.054
local terms energy: -148.740375
where:
bonds (distance) C4'-P energy: -27.799
bonds (distance) P-C4' energy: -29.210
flat angles C4'-P-C4' energy: -31.345
flat angles P-C4'-P energy: -23.146
tors. eta vs tors. theta energy: -37.241
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: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -457.964590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.964590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.964590 (E_RNA)
where:
Base-Base interactions energy: -320.731
where: short stacking energy: -138.232
Base-Backbone interact. energy: -0.875
local terms energy: -136.359052
where:
bonds (distance) C4'-P energy: -27.177
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -33.544
flat angles P-C4'-P energy: -21.546
tors. eta vs tors. theta energy: -36.988
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: 6
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -437.153111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.153111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.153111 (E_RNA)
where:
Base-Base interactions energy: -297.630
where: short stacking energy: -136.568
Base-Backbone interact. energy: -1.033
local terms energy: -138.490524
where:
bonds (distance) C4'-P energy: -30.101
bonds (distance) P-C4' energy: -27.035
flat angles C4'-P-C4' energy: -25.471
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -39.521
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: 7, replica: 10
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -412.648780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.648780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.648780 (E_RNA)
where:
Base-Base interactions energy: -288.111
where: short stacking energy: -115.546
Base-Backbone interact. energy: 0.949
local terms energy: -125.486660
where:
bonds (distance) C4'-P energy: -22.773
bonds (distance) P-C4' energy: -28.300
flat angles C4'-P-C4' energy: -27.503
flat angles P-C4'-P energy: -15.200
tors. eta vs tors. theta energy: -31.710
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: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -340.126729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.126729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.126729 (E_RNA)
where:
Base-Base interactions energy: -235.003
where: short stacking energy: -88.622
Base-Backbone interact. energy: -0.647
local terms energy: -104.477531
where:
bonds (distance) C4'-P energy: -28.910
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -27.258
flat angles P-C4'-P energy: -15.689
tors. eta vs tors. theta energy: -15.649
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: 4
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -241.078129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.078129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.078129 (E_RNA)
where:
Base-Base interactions energy: -144.684
where: short stacking energy: -76.471
Base-Backbone interact. energy: -0.742
local terms energy: -95.651375
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -31.412
flat angles C4'-P-C4' energy: -23.360
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -9.658
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: 7
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -141.097531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.097531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.097531 (E_RNA)
where:
Base-Base interactions energy: -52.627
where: short stacking energy: -51.260
Base-Backbone interact. energy: -0.527
local terms energy: -87.943436
where:
bonds (distance) C4'-P energy: -17.817
bonds (distance) P-C4' energy: -21.837
flat angles C4'-P-C4' energy: -22.210
flat angles P-C4'-P energy: -15.688
tors. eta vs tors. theta energy: -10.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -520.555921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.555921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.555921 (E_RNA)
where:
Base-Base interactions energy: -360.175
where: short stacking energy: -142.792
Base-Backbone interact. energy: -0.887
local terms energy: -159.494394
where:
bonds (distance) C4'-P energy: -29.685
bonds (distance) P-C4' energy: -30.555
flat angles C4'-P-C4' energy: -33.002
flat angles P-C4'-P energy: -18.464
tors. eta vs tors. theta energy: -47.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -528.091777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.091777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.091777 (E_RNA)
where:
Base-Base interactions energy: -379.861
where: short stacking energy: -158.033
Base-Backbone interact. energy: -0.124
local terms energy: -148.107166
where:
bonds (distance) C4'-P energy: -19.997
bonds (distance) P-C4' energy: -26.428
flat angles C4'-P-C4' energy: -32.992
flat angles P-C4'-P energy: -22.113
tors. eta vs tors. theta energy: -46.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -486.589398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.589398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.589398 (E_RNA)
where:
Base-Base interactions energy: -340.940
where: short stacking energy: -140.527
Base-Backbone interact. energy: 1.337
local terms energy: -146.986044
where:
bonds (distance) C4'-P energy: -29.471
bonds (distance) P-C4' energy: -31.731
flat angles C4'-P-C4' energy: -25.523
flat angles P-C4'-P energy: -21.087
tors. eta vs tors. theta energy: -39.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -474.748314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.748314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.748314 (E_RNA)
where:
Base-Base interactions energy: -330.144
where: short stacking energy: -149.461
Base-Backbone interact. energy: -0.576
local terms energy: -144.028447
where:
bonds (distance) C4'-P energy: -26.748
bonds (distance) P-C4' energy: -26.942
flat angles C4'-P-C4' energy: -28.944
flat angles P-C4'-P energy: -19.864
tors. eta vs tors. theta energy: -41.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -442.578005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.578005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.578005 (E_RNA)
where:
Base-Base interactions energy: -302.819
where: short stacking energy: -142.206
Base-Backbone interact. energy: -0.184
local terms energy: -139.575679
where:
bonds (distance) C4'-P energy: -25.542
bonds (distance) P-C4' energy: -28.319
flat angles C4'-P-C4' energy: -30.352
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: -41.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -435.594452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.594452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.594452 (E_RNA)
where:
Base-Base interactions energy: -309.069
where: short stacking energy: -131.384
Base-Backbone interact. energy: 0.265
local terms energy: -126.791040
where:
bonds (distance) C4'-P energy: -24.040
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -26.792
flat angles P-C4'-P energy: -18.176
tors. eta vs tors. theta energy: -34.497
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: 6
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -412.825978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.825978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.825978 (E_RNA)
where:
Base-Base interactions energy: -277.072
where: short stacking energy: -119.289
Base-Backbone interact. energy: -0.642
local terms energy: -135.111710
where:
bonds (distance) C4'-P energy: -29.508
bonds (distance) P-C4' energy: -24.863
flat angles C4'-P-C4' energy: -24.897
flat angles P-C4'-P energy: -19.969
tors. eta vs tors. theta energy: -35.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -349.401595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.401595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.401595 (E_RNA)
where:
Base-Base interactions energy: -226.631
where: short stacking energy: -99.025
Base-Backbone interact. energy: -0.732
local terms energy: -122.038696
where:
bonds (distance) C4'-P energy: -19.340
bonds (distance) P-C4' energy: -27.938
flat angles C4'-P-C4' energy: -29.703
flat angles P-C4'-P energy: -24.597
tors. eta vs tors. theta energy: -20.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -276.075529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.075529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.075529 (E_RNA)
where:
Base-Base interactions energy: -183.939
where: short stacking energy: -73.829
Base-Backbone interact. energy: 6.437
local terms energy: -98.573028
where:
bonds (distance) C4'-P energy: -21.258
bonds (distance) P-C4' energy: -28.861
flat angles C4'-P-C4' energy: -23.948
flat angles P-C4'-P energy: -14.763
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: 10, replica: 7
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -137.860881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.860881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.860881 (E_RNA)
where:
Base-Base interactions energy: -42.920
where: short stacking energy: -42.920
Base-Backbone interact. energy: 0.005
local terms energy: -94.945713
where:
bonds (distance) C4'-P energy: -29.304
bonds (distance) P-C4' energy: -26.337
flat angles C4'-P-C4' energy: -20.792
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -5.499
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: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -533.693237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.693237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.693237 (E_RNA)
where:
Base-Base interactions energy: -372.551
where: short stacking energy: -157.107
Base-Backbone interact. energy: -1.436
local terms energy: -159.706315
where:
bonds (distance) C4'-P energy: -27.418
bonds (distance) P-C4' energy: -26.931
flat angles C4'-P-C4' energy: -31.454
flat angles P-C4'-P energy: -24.193
tors. eta vs tors. theta energy: -49.710
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: 5
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -525.112806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.112806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.112806 (E_RNA)
where:
Base-Base interactions energy: -358.711
where: short stacking energy: -145.820
Base-Backbone interact. energy: -0.108
local terms energy: -166.293710
where:
bonds (distance) C4'-P energy: -29.440
bonds (distance) P-C4' energy: -29.171
flat angles C4'-P-C4' energy: -33.884
flat angles P-C4'-P energy: -23.176
tors. eta vs tors. theta energy: -50.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -488.022692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.022692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.022692 (E_RNA)
where:
Base-Base interactions energy: -342.731
where: short stacking energy: -142.258
Base-Backbone interact. energy: -0.171
local terms energy: -145.121100
where:
bonds (distance) C4'-P energy: -26.015
bonds (distance) P-C4' energy: -29.508
flat angles C4'-P-C4' energy: -30.828
flat angles P-C4'-P energy: -19.114
tors. eta vs tors. theta energy: -39.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -439.955124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.955124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.955124 (E_RNA)
where:
Base-Base interactions energy: -316.700
where: short stacking energy: -133.604
Base-Backbone interact. energy: -0.029
local terms energy: -123.225945
where:
bonds (distance) C4'-P energy: -22.944
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -25.348
flat angles P-C4'-P energy: -21.333
tors. eta vs tors. theta energy: -38.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -459.266712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.266712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.266712 (E_RNA)
where:
Base-Base interactions energy: -319.658
where: short stacking energy: -142.545
Base-Backbone interact. energy: -0.147
local terms energy: -139.461824
where:
bonds (distance) C4'-P energy: -22.125
bonds (distance) P-C4' energy: -25.458
flat angles C4'-P-C4' energy: -30.153
flat angles P-C4'-P energy: -21.214
tors. eta vs tors. theta energy: -40.512
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: 10
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -438.888790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.888790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.888790 (E_RNA)
where:
Base-Base interactions energy: -307.968
where: short stacking energy: -128.169
Base-Backbone interact. energy: -0.134
local terms energy: -130.786372
where:
bonds (distance) C4'-P energy: -21.651
bonds (distance) P-C4' energy: -28.319
flat angles C4'-P-C4' energy: -27.880
flat angles P-C4'-P energy: -16.195
tors. eta vs tors. theta energy: -36.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -431.264385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.264385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.264385 (E_RNA)
where:
Base-Base interactions energy: -288.312
where: short stacking energy: -134.795
Base-Backbone interact. energy: -0.006
local terms energy: -142.945808
where:
bonds (distance) C4'-P energy: -28.486
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -29.924
flat angles P-C4'-P energy: -21.330
tors. eta vs tors. theta energy: -41.001
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: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -333.881594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.881594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.881594 (E_RNA)
where:
Base-Base interactions energy: -231.446
where: short stacking energy: -96.341
Base-Backbone interact. energy: 1.963
local terms energy: -104.398335
where:
bonds (distance) C4'-P energy: -21.461
bonds (distance) P-C4' energy: -21.852
flat angles C4'-P-C4' energy: -26.828
flat angles P-C4'-P energy: -16.734
tors. eta vs tors. theta energy: -17.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -241.240755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.240755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.240755 (E_RNA)
where:
Base-Base interactions energy: -135.100
where: short stacking energy: -77.276
Base-Backbone interact. energy: -0.463
local terms energy: -105.677186
where:
bonds (distance) C4'-P energy: -28.477
bonds (distance) P-C4' energy: -21.127
flat angles C4'-P-C4' energy: -27.689
flat angles P-C4'-P energy: -10.459
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: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -143.510649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.510649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.510649 (E_RNA)
where:
Base-Base interactions energy: -55.624
where: short stacking energy: -45.591
Base-Backbone interact. energy: -0.480
local terms energy: -87.407163
where:
bonds (distance) C4'-P energy: -24.546
bonds (distance) P-C4' energy: -27.268
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -18.039
tors. eta vs tors. theta energy: -3.120
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: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -538.342330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.342330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.342330 (E_RNA)
where:
Base-Base interactions energy: -375.744
where: short stacking energy: -164.094
Base-Backbone interact. energy: -0.298
local terms energy: -162.300573
where:
bonds (distance) C4'-P energy: -28.471
bonds (distance) P-C4' energy: -30.613
flat angles C4'-P-C4' energy: -32.640
flat angles P-C4'-P energy: -21.252
tors. eta vs tors. theta energy: -49.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -491.101987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.101987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.101987 (E_RNA)
where:
Base-Base interactions energy: -334.094
where: short stacking energy: -143.081
Base-Backbone interact. energy: -0.429
local terms energy: -156.579196
where:
bonds (distance) C4'-P energy: -27.994
bonds (distance) P-C4' energy: -28.814
flat angles C4'-P-C4' energy: -33.684
flat angles P-C4'-P energy: -26.436
tors. eta vs tors. theta energy: -39.651
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: 277
Temperature: 1.000000
Total energy: -519.967087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.967087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.967087 (E_RNA)
where:
Base-Base interactions energy: -354.446
where: short stacking energy: -156.744
Base-Backbone interact. energy: -0.363
local terms energy: -165.159039
where:
bonds (distance) C4'-P energy: -29.800
bonds (distance) P-C4' energy: -29.206
flat angles C4'-P-C4' energy: -34.552
flat angles P-C4'-P energy: -22.516
tors. eta vs tors. theta energy: -49.086
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: 4, replica: 3
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -459.340320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.340320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.340320 (E_RNA)
where:
Base-Base interactions energy: -314.713
where: short stacking energy: -139.754
Base-Backbone interact. energy: -0.217
local terms energy: -144.410185
where:
bonds (distance) C4'-P energy: -26.106
bonds (distance) P-C4' energy: -29.481
flat angles C4'-P-C4' energy: -30.632
flat angles P-C4'-P energy: -17.656
tors. eta vs tors. theta energy: -40.536
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: 8
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -465.567942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.567942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.567942 (E_RNA)
where:
Base-Base interactions energy: -318.521
where: short stacking energy: -139.959
Base-Backbone interact. energy: -0.214
local terms energy: -146.832844
where:
bonds (distance) C4'-P energy: -24.074
bonds (distance) P-C4' energy: -31.841
flat angles C4'-P-C4' energy: -26.475
flat angles P-C4'-P energy: -20.869
tors. eta vs tors. theta energy: -43.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -435.041743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.041743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.041743 (E_RNA)
where:
Base-Base interactions energy: -300.495
where: short stacking energy: -123.163
Base-Backbone interact. energy: -0.534
local terms energy: -134.012900
where:
bonds (distance) C4'-P energy: -23.153
bonds (distance) P-C4' energy: -26.651
flat angles C4'-P-C4' energy: -29.980
flat angles P-C4'-P energy: -20.050
tors. eta vs tors. theta energy: -34.179
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: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -416.642894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.642894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.642894 (E_RNA)
where:
Base-Base interactions energy: -285.221
where: short stacking energy: -134.098
Base-Backbone interact. energy: -0.093
local terms energy: -131.329508
where:
bonds (distance) C4'-P energy: -22.021
bonds (distance) P-C4' energy: -22.938
flat angles C4'-P-C4' energy: -27.590
flat angles P-C4'-P energy: -18.572
tors. eta vs tors. theta energy: -40.208
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: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -368.924383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.924383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.924383 (E_RNA)
where:
Base-Base interactions energy: -251.403
where: short stacking energy: -115.511
Base-Backbone interact. energy: -0.648
local terms energy: -116.872847
where:
bonds (distance) C4'-P energy: -19.525
bonds (distance) P-C4' energy: -25.662
flat angles C4'-P-C4' energy: -19.026
flat angles P-C4'-P energy: -22.330
tors. eta vs tors. theta energy: -30.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -199.454452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.454452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.454452 (E_RNA)
where:
Base-Base interactions energy: -109.624
where: short stacking energy: -64.596
Base-Backbone interact. energy: -1.127
local terms energy: -88.703393
where:
bonds (distance) C4'-P energy: -20.951
bonds (distance) P-C4' energy: -26.801
flat angles C4'-P-C4' energy: -21.667
flat angles P-C4'-P energy: -12.029
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: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -136.575021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.575021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.575021 (E_RNA)
where:
Base-Base interactions energy: -44.561
where: short stacking energy: -39.535
Base-Backbone interact. energy: -0.228
local terms energy: -91.785708
where:
bonds (distance) C4'-P energy: -18.365
bonds (distance) P-C4' energy: -21.423
flat angles C4'-P-C4' energy: -24.368
flat angles P-C4'-P energy: -18.295
tors. eta vs tors. theta energy: -9.334
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: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -533.989031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.989031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.989031 (E_RNA)
where:
Base-Base interactions energy: -372.097
where: short stacking energy: -153.356
Base-Backbone interact. energy: -0.005
local terms energy: -161.886901
where:
bonds (distance) C4'-P energy: -34.076
bonds (distance) P-C4' energy: -26.377
flat angles C4'-P-C4' energy: -31.702
flat angles P-C4'-P energy: -22.418
tors. eta vs tors. theta energy: -47.314
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: 278
Temperature: 0.950000
Total energy: -493.219356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.219356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.219356 (E_RNA)
where:
Base-Base interactions energy: -341.505
where: short stacking energy: -143.194
Base-Backbone interact. energy: 1.237
local terms energy: -152.951804
where:
bonds (distance) C4'-P energy: -30.201
bonds (distance) P-C4' energy: -25.187
flat angles C4'-P-C4' energy: -33.699
flat angles P-C4'-P energy: -25.406
tors. eta vs tors. theta energy: -38.458
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: 5
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -514.316879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.316879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.316879 (E_RNA)
where:
Base-Base interactions energy: -360.637
where: short stacking energy: -146.216
Base-Backbone interact. energy: -0.096
local terms energy: -153.583669
where:
bonds (distance) C4'-P energy: -24.463
bonds (distance) P-C4' energy: -29.429
flat angles C4'-P-C4' energy: -29.972
flat angles P-C4'-P energy: -21.529
tors. eta vs tors. theta energy: -48.190
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: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -480.096473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.096473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.096473 (E_RNA)
where:
Base-Base interactions energy: -341.433
where: short stacking energy: -146.371
Base-Backbone interact. energy: -0.868
local terms energy: -137.795246
where:
bonds (distance) C4'-P energy: -28.630
bonds (distance) P-C4' energy: -26.944
flat angles C4'-P-C4' energy: -23.811
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -42.495
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: 8
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -462.875052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.875052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.875052 (E_RNA)
where:
Base-Base interactions energy: -340.771
where: short stacking energy: -142.274
Base-Backbone interact. energy: -0.031
local terms energy: -122.073331
where:
bonds (distance) C4'-P energy: -21.715
bonds (distance) P-C4' energy: -30.471
flat angles C4'-P-C4' energy: -22.841
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -39.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -461.271752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.271752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.271752 (E_RNA)
where:
Base-Base interactions energy: -329.505
where: short stacking energy: -130.479
Base-Backbone interact. energy: -0.523
local terms energy: -131.244088
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -25.183
flat angles C4'-P-C4' energy: -30.304
flat angles P-C4'-P energy: -19.215
tors. eta vs tors. theta energy: -38.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -416.227185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.227185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.227185 (E_RNA)
where:
Base-Base interactions energy: -277.276
where: short stacking energy: -117.550
Base-Backbone interact. energy: -0.386
local terms energy: -138.565183
where:
bonds (distance) C4'-P energy: -27.734
bonds (distance) P-C4' energy: -27.098
flat angles C4'-P-C4' energy: -27.455
flat angles P-C4'-P energy: -21.118
tors. eta vs tors. theta energy: -35.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -352.465263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.465263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.465263 (E_RNA)
where:
Base-Base interactions energy: -236.041
where: short stacking energy: -91.846
Base-Backbone interact. energy: -0.118
local terms energy: -116.305736
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -26.732
flat angles C4'-P-C4' energy: -29.519
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -26.242
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: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -152.452612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.452612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.452612 (E_RNA)
where:
Base-Base interactions energy: -62.047
where: short stacking energy: -60.536
Base-Backbone interact. energy: 0.920
local terms energy: -91.325301
where:
bonds (distance) C4'-P energy: -25.847
bonds (distance) P-C4' energy: -26.957
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -10.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -141.726006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.726006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.726006 (E_RNA)
where:
Base-Base interactions energy: -48.434
where: short stacking energy: -48.160
Base-Backbone interact. energy: -0.071
local terms energy: -93.221062
where:
bonds (distance) C4'-P energy: -24.365
bonds (distance) P-C4' energy: -26.618
flat angles C4'-P-C4' energy: -21.674
flat angles P-C4'-P energy: -17.020
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -535.622370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.622370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.622370 (E_RNA)
where:
Base-Base interactions energy: -377.790
where: short stacking energy: -160.301
Base-Backbone interact. energy: -0.273
local terms energy: -157.559425
where:
bonds (distance) C4'-P energy: -28.016
bonds (distance) P-C4' energy: -26.783
flat angles C4'-P-C4' energy: -32.168
flat angles P-C4'-P energy: -22.396
tors. eta vs tors. theta energy: -48.197
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: 5
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -520.793315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.793315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.793315 (E_RNA)
where:
Base-Base interactions energy: -368.352
where: short stacking energy: -152.407
Base-Backbone interact. energy: -1.333
local terms energy: -151.108074
where:
bonds (distance) C4'-P energy: -28.533
bonds (distance) P-C4' energy: -28.016
flat angles C4'-P-C4' energy: -29.734
flat angles P-C4'-P energy: -18.876
tors. eta vs tors. theta energy: -45.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -485.425173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.425173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.425173 (E_RNA)
where:
Base-Base interactions energy: -339.786
where: short stacking energy: -138.821
Base-Backbone interact. energy: -0.822
local terms energy: -144.817433
where:
bonds (distance) C4'-P energy: -22.889
bonds (distance) P-C4' energy: -32.186
flat angles C4'-P-C4' energy: -31.523
flat angles P-C4'-P energy: -21.665
tors. eta vs tors. theta energy: -36.554
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: 279
Temperature: 1.050000
Total energy: -473.193779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.193779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.193779 (E_RNA)
where:
Base-Base interactions energy: -323.386
where: short stacking energy: -145.711
Base-Backbone interact. energy: -0.354
local terms energy: -149.454082
where:
bonds (distance) C4'-P energy: -29.517
bonds (distance) P-C4' energy: -26.148
flat angles C4'-P-C4' energy: -28.670
flat angles P-C4'-P energy: -21.293
tors. eta vs tors. theta energy: -43.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -456.494906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.494906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.494906 (E_RNA)
where:
Base-Base interactions energy: -315.812
where: short stacking energy: -135.888
Base-Backbone interact. energy: -0.309
local terms energy: -140.373582
where:
bonds (distance) C4'-P energy: -29.609
bonds (distance) P-C4' energy: -29.122
flat angles C4'-P-C4' energy: -26.123
flat angles P-C4'-P energy: -20.456
tors. eta vs tors. theta energy: -35.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -473.192877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.192877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.192877 (E_RNA)
where:
Base-Base interactions energy: -334.457
where: short stacking energy: -135.696
Base-Backbone interact. energy: -0.193
local terms energy: -138.542582
where:
bonds (distance) C4'-P energy: -26.132
bonds (distance) P-C4' energy: -26.888
flat angles C4'-P-C4' energy: -27.076
flat angles P-C4'-P energy: -21.141
tors. eta vs tors. theta energy: -37.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -413.151095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.151095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.151095 (E_RNA)
where:
Base-Base interactions energy: -280.262
where: short stacking energy: -136.979
Base-Backbone interact. energy: -0.324
local terms energy: -132.565493
where:
bonds (distance) C4'-P energy: -19.782
bonds (distance) P-C4' energy: -20.367
flat angles C4'-P-C4' energy: -25.217
flat angles P-C4'-P energy: -24.742
tors. eta vs tors. theta energy: -42.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -369.329945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.329945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.329945 (E_RNA)
where:
Base-Base interactions energy: -265.473
where: short stacking energy: -101.061
Base-Backbone interact. energy: 1.082
local terms energy: -104.938750
where:
bonds (distance) C4'-P energy: -24.307
bonds (distance) P-C4' energy: -9.264
flat angles C4'-P-C4' energy: -27.272
flat angles P-C4'-P energy: -16.884
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: 9, replica: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -206.328014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.328014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.328014 (E_RNA)
where:
Base-Base interactions energy: -114.329
where: short stacking energy: -54.123
Base-Backbone interact. energy: 0.624
local terms energy: -92.623196
where:
bonds (distance) C4'-P energy: -24.973
bonds (distance) P-C4' energy: -31.180
flat angles C4'-P-C4' energy: -25.298
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: 1.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -134.731487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.731487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.731487 (E_RNA)
where:
Base-Base interactions energy: -45.896
where: short stacking energy: -41.495
Base-Backbone interact. energy: 0.465
local terms energy: -89.300875
where:
bonds (distance) C4'-P energy: -25.533
bonds (distance) P-C4' energy: -24.382
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -4.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -543.607481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.607481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.607481 (E_RNA)
where:
Base-Base interactions energy: -376.562
where: short stacking energy: -161.660
Base-Backbone interact. energy: -0.174
local terms energy: -166.871481
where:
bonds (distance) C4'-P energy: -30.908
bonds (distance) P-C4' energy: -30.757
flat angles C4'-P-C4' energy: -34.549
flat angles P-C4'-P energy: -23.959
tors. eta vs tors. theta energy: -46.699
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: 5
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -522.321906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.321906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.321906 (E_RNA)
where:
Base-Base interactions energy: -362.897
where: short stacking energy: -157.345
Base-Backbone interact. energy: -0.621
local terms energy: -158.803808
where:
bonds (distance) C4'-P energy: -26.902
bonds (distance) P-C4' energy: -29.672
flat angles C4'-P-C4' energy: -27.693
flat angles P-C4'-P energy: -25.305
tors. eta vs tors. theta energy: -49.232
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: 9
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -471.520433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.520433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.520433 (E_RNA)
where:
Base-Base interactions energy: -330.977
where: short stacking energy: -140.242
Base-Backbone interact. energy: 0.255
local terms energy: -140.798130
where:
bonds (distance) C4'-P energy: -27.912
bonds (distance) P-C4' energy: -26.629
flat angles C4'-P-C4' energy: -32.748
flat angles P-C4'-P energy: -18.663
tors. eta vs tors. theta energy: -34.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -456.341575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.341575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.341575 (E_RNA)
where:
Base-Base interactions energy: -317.534
where: short stacking energy: -140.300
Base-Backbone interact. energy: 0.074
local terms energy: -138.881735
where:
bonds (distance) C4'-P energy: -23.988
bonds (distance) P-C4' energy: -25.573
flat angles C4'-P-C4' energy: -28.020
flat angles P-C4'-P energy: -19.779
tors. eta vs tors. theta energy: -41.522
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: 10
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -483.593572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.593572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.593572 (E_RNA)
where:
Base-Base interactions energy: -342.378
where: short stacking energy: -140.032
Base-Backbone interact. energy: -0.851
local terms energy: -140.364469
where:
bonds (distance) C4'-P energy: -29.331
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -28.322
flat angles P-C4'-P energy: -23.179
tors. eta vs tors. theta energy: -42.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -469.890853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.890853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.890853 (E_RNA)
where:
Base-Base interactions energy: -328.595
where: short stacking energy: -146.017
Base-Backbone interact. energy: -0.105
local terms energy: -141.190745
where:
bonds (distance) C4'-P energy: -21.846
bonds (distance) P-C4' energy: -28.164
flat angles C4'-P-C4' energy: -30.199
flat angles P-C4'-P energy: -17.272
tors. eta vs tors. theta energy: -43.710
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: 6
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -422.275807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.275807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.275807 (E_RNA)
where:
Base-Base interactions energy: -291.016
where: short stacking energy: -128.219
Base-Backbone interact. energy: -1.130
local terms energy: -130.129796
where:
bonds (distance) C4'-P energy: -26.477
bonds (distance) P-C4' energy: -19.621
flat angles C4'-P-C4' energy: -30.298
flat angles P-C4'-P energy: -20.775
tors. eta vs tors. theta energy: -32.959
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: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -371.001823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.001823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.001823 (E_RNA)
where:
Base-Base interactions energy: -254.287
where: short stacking energy: -102.329
Base-Backbone interact. energy: -0.073
local terms energy: -116.641490
where:
bonds (distance) C4'-P energy: -23.662
bonds (distance) P-C4' energy: -23.715
flat angles C4'-P-C4' energy: -30.042
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -29.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -209.037161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.037161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.037161 (E_RNA)
where:
Base-Base interactions energy: -122.040
where: short stacking energy: -62.528
Base-Backbone interact. energy: -0.237
local terms energy: -86.760390
where:
bonds (distance) C4'-P energy: -25.527
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -27.035
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -5.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -134.498884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.498884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.498884 (E_RNA)
where:
Base-Base interactions energy: -59.167
where: short stacking energy: -57.012
Base-Backbone interact. energy: -0.607
local terms energy: -74.725225
where:
bonds (distance) C4'-P energy: -22.774
bonds (distance) P-C4' energy: -26.824
flat angles C4'-P-C4' energy: -20.729
flat angles P-C4'-P energy: -5.087
tors. eta vs tors. theta energy: 0.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -519.733040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.733040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.733040 (E_RNA)
where:
Base-Base interactions energy: -368.477
where: short stacking energy: -146.333
Base-Backbone interact. energy: -0.579
local terms energy: -150.677891
where:
bonds (distance) C4'-P energy: -24.994
bonds (distance) P-C4' energy: -29.749
flat angles C4'-P-C4' energy: -29.596
flat angles P-C4'-P energy: -21.280
tors. eta vs tors. theta energy: -45.059
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: 9
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -487.989478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.989478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.989478 (E_RNA)
where:
Base-Base interactions energy: -337.596
where: short stacking energy: -147.353
Base-Backbone interact. energy: -0.010
local terms energy: -150.383412
where:
bonds (distance) C4'-P energy: -31.459
bonds (distance) P-C4' energy: -29.880
flat angles C4'-P-C4' energy: -29.390
flat angles P-C4'-P energy: -20.073
tors. eta vs tors. theta energy: -39.582
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: 3, replica: 5
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -514.758627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.758627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.758627 (E_RNA)
where:
Base-Base interactions energy: -360.304
where: short stacking energy: -137.079
Base-Backbone interact. energy: 0.168
local terms energy: -154.623013
where:
bonds (distance) C4'-P energy: -30.574
bonds (distance) P-C4' energy: -29.808
flat angles C4'-P-C4' energy: -33.810
flat angles P-C4'-P energy: -17.391
tors. eta vs tors. theta energy: -43.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -493.004262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.004262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.004262 (E_RNA)
where:
Base-Base interactions energy: -350.553
where: short stacking energy: -139.919
Base-Backbone interact. energy: -0.632
local terms energy: -141.819699
where:
bonds (distance) C4'-P energy: -24.242
bonds (distance) P-C4' energy: -29.867
flat angles C4'-P-C4' energy: -30.097
flat angles P-C4'-P energy: -16.746
tors. eta vs tors. theta energy: -40.868
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: 5, replica: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -434.558895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.558895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.558895 (E_RNA)
where:
Base-Base interactions energy: -287.367
where: short stacking energy: -129.516
Base-Backbone interact. energy: 0.194
local terms energy: -147.385612
where:
bonds (distance) C4'-P energy: -25.826
bonds (distance) P-C4' energy: -31.778
flat angles C4'-P-C4' energy: -29.969
flat angles P-C4'-P energy: -20.858
tors. eta vs tors. theta energy: -38.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -460.569200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.569200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.569200 (E_RNA)
where:
Base-Base interactions energy: -332.997
where: short stacking energy: -132.872
Base-Backbone interact. energy: -0.181
local terms energy: -127.390900
where:
bonds (distance) C4'-P energy: -19.465
bonds (distance) P-C4' energy: -23.150
flat angles C4'-P-C4' energy: -27.479
flat angles P-C4'-P energy: -21.750
tors. eta vs tors. theta energy: -35.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -424.166183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.166183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.166183 (E_RNA)
where:
Base-Base interactions energy: -289.144
where: short stacking energy: -124.236
Base-Backbone interact. energy: -0.604
local terms energy: -134.418118
where:
bonds (distance) C4'-P energy: -25.832
bonds (distance) P-C4' energy: -25.559
flat angles C4'-P-C4' energy: -29.857
flat angles P-C4'-P energy: -16.698
tors. eta vs tors. theta energy: -36.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -351.343343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.343343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.343343 (E_RNA)
where:
Base-Base interactions energy: -238.193
where: short stacking energy: -99.623
Base-Backbone interact. energy: -0.343
local terms energy: -112.806766
where:
bonds (distance) C4'-P energy: -21.644
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -22.781
flat angles P-C4'-P energy: -19.580
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: 9, replica: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -205.052281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.052281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.052281 (E_RNA)
where:
Base-Base interactions energy: -109.336
where: short stacking energy: -60.221
Base-Backbone interact. energy: 0.863
local terms energy: -96.579899
where:
bonds (distance) C4'-P energy: -23.754
bonds (distance) P-C4' energy: -31.611
flat angles C4'-P-C4' energy: -22.988
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -5.663
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: 10, replica: 4
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -128.505873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.505873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.505873 (E_RNA)
where:
Base-Base interactions energy: -44.052
where: short stacking energy: -44.052
Base-Backbone interact. energy: -0.083
local terms energy: -84.370028
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -25.725
flat angles C4'-P-C4' energy: -21.963
flat angles P-C4'-P energy: -17.257
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: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -523.861424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.861424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.861424 (E_RNA)
where:
Base-Base interactions energy: -368.727
where: short stacking energy: -145.305
Base-Backbone interact. energy: -0.121
local terms energy: -155.013832
where:
bonds (distance) C4'-P energy: -30.875
bonds (distance) P-C4' energy: -29.523
flat angles C4'-P-C4' energy: -31.583
flat angles P-C4'-P energy: -17.348
tors. eta vs tors. theta energy: -45.685
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: 9
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -502.192861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.192861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.192861 (E_RNA)
where:
Base-Base interactions energy: -350.552
where: short stacking energy: -148.331
Base-Backbone interact. energy: -1.521
local terms energy: -150.119502
where:
bonds (distance) C4'-P energy: -30.937
bonds (distance) P-C4' energy: -29.391
flat angles C4'-P-C4' energy: -28.399
flat angles P-C4'-P energy: -22.409
tors. eta vs tors. theta energy: -38.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -512.740572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.740572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.740572 (E_RNA)
where:
Base-Base interactions energy: -362.276
where: short stacking energy: -156.679
Base-Backbone interact. energy: 0.009
local terms energy: -150.473577
where:
bonds (distance) C4'-P energy: -29.346
bonds (distance) P-C4' energy: -26.387
flat angles C4'-P-C4' energy: -30.615
flat angles P-C4'-P energy: -17.645
tors. eta vs tors. theta energy: -46.481
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: 10
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -499.899715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.899715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.899715 (E_RNA)
where:
Base-Base interactions energy: -353.821
where: short stacking energy: -142.653
Base-Backbone interact. energy: -0.670
local terms energy: -145.409090
where:
bonds (distance) C4'-P energy: -29.075
bonds (distance) P-C4' energy: -22.485
flat angles C4'-P-C4' energy: -30.016
flat angles P-C4'-P energy: -21.481
tors. eta vs tors. theta energy: -42.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -449.370379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.370379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.370379 (E_RNA)
where:
Base-Base interactions energy: -304.021
where: short stacking energy: -139.402
Base-Backbone interact. energy: 0.898
local terms energy: -146.247133
where:
bonds (distance) C4'-P energy: -30.015
bonds (distance) P-C4' energy: -25.160
flat angles C4'-P-C4' energy: -28.802
flat angles P-C4'-P energy: -19.671
tors. eta vs tors. theta energy: -42.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -434.895842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.895842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.895842 (E_RNA)
where:
Base-Base interactions energy: -298.757
where: short stacking energy: -134.279
Base-Backbone interact. energy: 0.339
local terms energy: -136.477683
where:
bonds (distance) C4'-P energy: -20.278
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -31.534
flat angles P-C4'-P energy: -23.803
tors. eta vs tors. theta energy: -37.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -430.272160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.272160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.272160 (E_RNA)
where:
Base-Base interactions energy: -295.842
where: short stacking energy: -130.223
Base-Backbone interact. energy: -1.471
local terms energy: -132.958947
where:
bonds (distance) C4'-P energy: -22.028
bonds (distance) P-C4' energy: -25.989
flat angles C4'-P-C4' energy: -28.529
flat angles P-C4'-P energy: -19.084
tors. eta vs tors. theta energy: -37.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -375.084783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.084783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.084783 (E_RNA)
where:
Base-Base interactions energy: -256.005
where: short stacking energy: -93.964
Base-Backbone interact. energy: -0.988
local terms energy: -118.091920
where:
bonds (distance) C4'-P energy: -26.148
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -29.997
flat angles P-C4'-P energy: -18.582
tors. eta vs tors. theta energy: -21.249
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: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -202.436729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.436729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.436729 (E_RNA)
where:
Base-Base interactions energy: -108.933
where: short stacking energy: -52.877
Base-Backbone interact. energy: -0.263
local terms energy: -93.240888
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -25.394
flat angles C4'-P-C4' energy: -24.371
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: -8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -137.777092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.777092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.777092 (E_RNA)
where:
Base-Base interactions energy: -46.031
where: short stacking energy: -46.031
Base-Backbone interact. energy: 0.058
local terms energy: -91.804795
where:
bonds (distance) C4'-P energy: -27.178
bonds (distance) P-C4' energy: -27.097
flat angles C4'-P-C4' energy: -22.909
flat angles P-C4'-P energy: -18.191
tors. eta vs tors. theta energy: 3.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -531.406385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.406385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.406385 (E_RNA)
where:
Base-Base interactions energy: -373.414
where: short stacking energy: -157.780
Base-Backbone interact. energy: -0.102
local terms energy: -157.889982
where:
bonds (distance) C4'-P energy: -30.700
bonds (distance) P-C4' energy: -30.745
flat angles C4'-P-C4' energy: -32.974
flat angles P-C4'-P energy: -17.448
tors. eta vs tors. theta energy: -46.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -519.881284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.881284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.881284 (E_RNA)
where:
Base-Base interactions energy: -358.667
where: short stacking energy: -151.657
Base-Backbone interact. energy: -0.003
local terms energy: -161.211602
where:
bonds (distance) C4'-P energy: -27.019
bonds (distance) P-C4' energy: -30.082
flat angles C4'-P-C4' energy: -31.649
flat angles P-C4'-P energy: -24.488
tors. eta vs tors. theta energy: -47.974
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: 9
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -482.417827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.417827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.417827 (E_RNA)
where:
Base-Base interactions energy: -333.732
where: short stacking energy: -138.702
Base-Backbone interact. energy: -0.319
local terms energy: -148.366854
where:
bonds (distance) C4'-P energy: -22.181
bonds (distance) P-C4' energy: -29.594
flat angles C4'-P-C4' energy: -32.420
flat angles P-C4'-P energy: -24.707
tors. eta vs tors. theta energy: -39.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -460.054405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.054405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.054405 (E_RNA)
where:
Base-Base interactions energy: -314.655
where: short stacking energy: -134.103
Base-Backbone interact. energy: -0.531
local terms energy: -144.868397
where:
bonds (distance) C4'-P energy: -29.340
bonds (distance) P-C4' energy: -30.191
flat angles C4'-P-C4' energy: -30.072
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -38.533
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: 10
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -485.941682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.941682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.941682 (E_RNA)
where:
Base-Base interactions energy: -345.831
where: short stacking energy: -135.281
Base-Backbone interact. energy: -0.756
local terms energy: -139.355127
where:
bonds (distance) C4'-P energy: -21.082
bonds (distance) P-C4' energy: -22.193
flat angles C4'-P-C4' energy: -30.974
flat angles P-C4'-P energy: -23.464
tors. eta vs tors. theta energy: -41.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -427.354883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.354883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.354883 (E_RNA)
where:
Base-Base interactions energy: -303.974
where: short stacking energy: -122.867
Base-Backbone interact. energy: -0.833
local terms energy: -122.548190
where:
bonds (distance) C4'-P energy: -22.307
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -31.700
flat angles P-C4'-P energy: -17.972
tors. eta vs tors. theta energy: -35.296
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: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -421.273424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.273424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.273424 (E_RNA)
where:
Base-Base interactions energy: -280.436
where: short stacking energy: -124.548
Base-Backbone interact. energy: -1.091
local terms energy: -139.746222
where:
bonds (distance) C4'-P energy: -24.067
bonds (distance) P-C4' energy: -28.562
flat angles C4'-P-C4' energy: -30.628
flat angles P-C4'-P energy: -16.886
tors. eta vs tors. theta energy: -39.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -365.895620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.895620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.895620 (E_RNA)
where:
Base-Base interactions energy: -256.832
where: short stacking energy: -107.864
Base-Backbone interact. energy: -0.773
local terms energy: -108.290413
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -27.654
flat angles C4'-P-C4' energy: -27.187
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -27.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -194.057611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.057611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.057611 (E_RNA)
where:
Base-Base interactions energy: -105.167
where: short stacking energy: -53.929
Base-Backbone interact. energy: -0.410
local terms energy: -88.480674
where:
bonds (distance) C4'-P energy: -22.574
bonds (distance) P-C4' energy: -22.808
flat angles C4'-P-C4' energy: -22.135
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -10.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -128.912262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.912262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.912262 (E_RNA)
where:
Base-Base interactions energy: -44.470
where: short stacking energy: -42.707
Base-Backbone interact. energy: -0.653
local terms energy: -83.789100
where:
bonds (distance) C4'-P energy: -28.754
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: -1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -525.305336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.305336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.305336 (E_RNA)
where:
Base-Base interactions energy: -369.360
where: short stacking energy: -160.370
Base-Backbone interact. energy: -0.399
local terms energy: -155.546386
where:
bonds (distance) C4'-P energy: -26.967
bonds (distance) P-C4' energy: -30.283
flat angles C4'-P-C4' energy: -29.115
flat angles P-C4'-P energy: -25.102
tors. eta vs tors. theta energy: -44.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -519.702703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.702703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.702703 (E_RNA)
where:
Base-Base interactions energy: -360.104
where: short stacking energy: -148.871
Base-Backbone interact. energy: -0.046
local terms energy: -159.552268
where:
bonds (distance) C4'-P energy: -26.672
bonds (distance) P-C4' energy: -32.821
flat angles C4'-P-C4' energy: -32.891
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -50.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -471.168669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.168669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.168669 (E_RNA)
where:
Base-Base interactions energy: -316.049
where: short stacking energy: -144.261
Base-Backbone interact. energy: -0.029
local terms energy: -155.090061
where:
bonds (distance) C4'-P energy: -31.509
bonds (distance) P-C4' energy: -32.835
flat angles C4'-P-C4' energy: -28.630
flat angles P-C4'-P energy: -20.681
tors. eta vs tors. theta energy: -41.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -483.781633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.781633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.781633 (E_RNA)
where:
Base-Base interactions energy: -351.012
where: short stacking energy: -144.001
Base-Backbone interact. energy: 1.584
local terms energy: -134.352913
where:
bonds (distance) C4'-P energy: -23.382
bonds (distance) P-C4' energy: -26.194
flat angles C4'-P-C4' energy: -28.748
flat angles P-C4'-P energy: -18.000
tors. eta vs tors. theta energy: -38.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -470.929834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.929834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.929834 (E_RNA)
where:
Base-Base interactions energy: -338.016
where: short stacking energy: -136.549
Base-Backbone interact. energy: -0.937
local terms energy: -131.976869
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -20.399
flat angles C4'-P-C4' energy: -32.128
flat angles P-C4'-P energy: -21.348
tors. eta vs tors. theta energy: -38.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -433.643227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.643227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.643227 (E_RNA)
where:
Base-Base interactions energy: -289.184
where: short stacking energy: -128.379
Base-Backbone interact. energy: -0.048
local terms energy: -144.411370
where:
bonds (distance) C4'-P energy: -20.438
bonds (distance) P-C4' energy: -28.572
flat angles C4'-P-C4' energy: -29.507
flat angles P-C4'-P energy: -23.277
tors. eta vs tors. theta energy: -42.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -370.515257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.515257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.515257 (E_RNA)
where:
Base-Base interactions energy: -264.325
where: short stacking energy: -82.266
Base-Backbone interact. energy: -0.227
local terms energy: -105.963802
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -25.134
flat angles C4'-P-C4' energy: -25.880
flat angles P-C4'-P energy: -17.006
tors. eta vs tors. theta energy: -19.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -413.051469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.051469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.051469 (E_RNA)
where:
Base-Base interactions energy: -303.385
where: short stacking energy: -134.143
Base-Backbone interact. energy: -1.732
local terms energy: -107.934080
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -9.132
flat angles C4'-P-C4' energy: -25.880
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: -38.443
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: 7
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -196.111169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.111169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.111169 (E_RNA)
where:
Base-Base interactions energy: -107.153
where: short stacking energy: -57.741
Base-Backbone interact. energy: 2.150
local terms energy: -91.107472
where:
bonds (distance) C4'-P energy: -28.511
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -27.509
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -1.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -141.154873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.154873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.154873 (E_RNA)
where:
Base-Base interactions energy: -50.028
where: short stacking energy: -46.381
Base-Backbone interact. energy: -0.045
local terms energy: -91.081542
where:
bonds (distance) C4'-P energy: -23.204
bonds (distance) P-C4' energy: -29.481
flat angles C4'-P-C4' energy: -25.065
flat angles P-C4'-P energy: -14.769
tors. eta vs tors. theta energy: 1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -523.898931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.898931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.898931 (E_RNA)
where:
Base-Base interactions energy: -378.456
where: short stacking energy: -152.741
Base-Backbone interact. energy: -0.802
local terms energy: -144.640633
where:
bonds (distance) C4'-P energy: -23.275
bonds (distance) P-C4' energy: -21.559
flat angles C4'-P-C4' energy: -30.801
flat angles P-C4'-P energy: -24.264
tors. eta vs tors. theta energy: -44.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -479.296137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.296137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.296137 (E_RNA)
where:
Base-Base interactions energy: -330.926
where: short stacking energy: -136.856
Base-Backbone interact. energy: -0.010
local terms energy: -148.360044
where:
bonds (distance) C4'-P energy: -25.362
bonds (distance) P-C4' energy: -28.403
flat angles C4'-P-C4' energy: -33.483
flat angles P-C4'-P energy: -23.949
tors. eta vs tors. theta energy: -37.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -514.513307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.513307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.513307 (E_RNA)
where:
Base-Base interactions energy: -361.129
where: short stacking energy: -157.127
Base-Backbone interact. energy: -0.835
local terms energy: -152.549223
where:
bonds (distance) C4'-P energy: -25.888
bonds (distance) P-C4' energy: -29.878
flat angles C4'-P-C4' energy: -30.559
flat angles P-C4'-P energy: -18.347
tors. eta vs tors. theta energy: -47.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -479.733179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.733179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.733179 (E_RNA)
where:
Base-Base interactions energy: -331.607
where: short stacking energy: -137.774
Base-Backbone interact. energy: -0.041
local terms energy: -148.084951
where:
bonds (distance) C4'-P energy: -30.686
bonds (distance) P-C4' energy: -23.516
flat angles C4'-P-C4' energy: -32.988
flat angles P-C4'-P energy: -18.174
tors. eta vs tors. theta energy: -42.722
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: 285
Temperature: 1.100000
Total energy: -488.401015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.401015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.401015 (E_RNA)
where:
Base-Base interactions energy: -355.491
where: short stacking energy: -137.405
Base-Backbone interact. energy: -0.473
local terms energy: -132.437372
where:
bonds (distance) C4'-P energy: -22.176
bonds (distance) P-C4' energy: -21.036
flat angles C4'-P-C4' energy: -29.857
flat angles P-C4'-P energy: -22.191
tors. eta vs tors. theta energy: -37.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -389.527979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.527979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.527979 (E_RNA)
where:
Base-Base interactions energy: -271.310
where: short stacking energy: -104.025
Base-Backbone interact. energy: -0.707
local terms energy: -117.511586
where:
bonds (distance) C4'-P energy: -23.475
bonds (distance) P-C4' energy: -25.774
flat angles C4'-P-C4' energy: -28.053
flat angles P-C4'-P energy: -12.511
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: 7, replica: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -439.516208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.516208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.516208 (E_RNA)
where:
Base-Base interactions energy: -301.036
where: short stacking energy: -126.618
Base-Backbone interact. energy: -0.805
local terms energy: -137.674545
where:
bonds (distance) C4'-P energy: -27.472
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -28.569
flat angles P-C4'-P energy: -22.388
tors. eta vs tors. theta energy: -40.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -429.104974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.104974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.104974 (E_RNA)
where:
Base-Base interactions energy: -301.444
where: short stacking energy: -122.937
Base-Backbone interact. energy: 0.939
local terms energy: -128.599551
where:
bonds (distance) C4'-P energy: -21.333
bonds (distance) P-C4' energy: -24.042
flat angles C4'-P-C4' energy: -28.762
flat angles P-C4'-P energy: -18.398
tors. eta vs tors. theta energy: -36.064
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: 7
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -214.146970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.146970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.146970 (E_RNA)
where:
Base-Base interactions energy: -114.449
where: short stacking energy: -66.921
Base-Backbone interact. energy: -0.536
local terms energy: -99.162285
where:
bonds (distance) C4'-P energy: -24.235
bonds (distance) P-C4' energy: -19.786
flat angles C4'-P-C4' energy: -25.814
flat angles P-C4'-P energy: -18.525
tors. eta vs tors. theta energy: -10.803
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: 285
Temperature: 1.350000
Total energy: -140.219564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.219564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.219564 (E_RNA)
where:
Base-Base interactions energy: -54.134
where: short stacking energy: -52.841
Base-Backbone interact. energy: -0.429
local terms energy: -85.656400
where:
bonds (distance) C4'-P energy: -22.791
bonds (distance) P-C4' energy: -27.171
flat angles C4'-P-C4' energy: -24.975
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: 0.246
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: 1, replica: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -537.263688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.263688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.263688 (E_RNA)
where:
Base-Base interactions energy: -375.678
where: short stacking energy: -145.632
Base-Backbone interact. energy: -0.666
local terms energy: -160.919756
where:
bonds (distance) C4'-P energy: -28.747
bonds (distance) P-C4' energy: -30.405
flat angles C4'-P-C4' energy: -33.120
flat angles P-C4'-P energy: -22.473
tors. eta vs tors. theta energy: -46.175
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: 8
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -477.223853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.223853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.223853 (E_RNA)
where:
Base-Base interactions energy: -327.729
where: short stacking energy: -148.590
Base-Backbone interact. energy: -0.643
local terms energy: -148.852715
where:
bonds (distance) C4'-P energy: -29.294
bonds (distance) P-C4' energy: -29.060
flat angles C4'-P-C4' energy: -24.969
flat angles P-C4'-P energy: -21.197
tors. eta vs tors. theta energy: -44.334
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: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -512.703822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.703822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.703822 (E_RNA)
where:
Base-Base interactions energy: -358.345
where: short stacking energy: -155.586
Base-Backbone interact. energy: -0.661
local terms energy: -153.697859
where:
bonds (distance) C4'-P energy: -27.543
bonds (distance) P-C4' energy: -28.733
flat angles C4'-P-C4' energy: -29.302
flat angles P-C4'-P energy: -19.155
tors. eta vs tors. theta energy: -48.965
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: 286
Temperature: 1.050000
Total energy: -492.841214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.841214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.841214 (E_RNA)
where:
Base-Base interactions energy: -353.095
where: short stacking energy: -139.133
Base-Backbone interact. energy: -0.110
local terms energy: -139.635853
where:
bonds (distance) C4'-P energy: -25.952
bonds (distance) P-C4' energy: -23.593
flat angles C4'-P-C4' energy: -29.754
flat angles P-C4'-P energy: -20.076
tors. eta vs tors. theta energy: -40.261
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: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -505.945845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.945845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.945845 (E_RNA)
where:
Base-Base interactions energy: -373.558
where: short stacking energy: -150.920
Base-Backbone interact. energy: 0.136
local terms energy: -132.523091
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -27.114
flat angles C4'-P-C4' energy: -27.767
flat angles P-C4'-P energy: -21.472
tors. eta vs tors. theta energy: -40.660
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: 6, replica: 1
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -428.147447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.147447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.147447 (E_RNA)
where:
Base-Base interactions energy: -306.851
where: short stacking energy: -126.978
Base-Backbone interact. energy: -0.633
local terms energy: -120.663348
where:
bonds (distance) C4'-P energy: -22.939
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -27.905
flat angles P-C4'-P energy: -21.253
tors. eta vs tors. theta energy: -29.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -424.022651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.022651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.022651 (E_RNA)
where:
Base-Base interactions energy: -303.137
where: short stacking energy: -122.909
Base-Backbone interact. energy: -0.663
local terms energy: -120.223014
where:
bonds (distance) C4'-P energy: -21.999
bonds (distance) P-C4' energy: -24.723
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -17.291
tors. eta vs tors. theta energy: -38.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -429.815383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.815383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.815383 (E_RNA)
where:
Base-Base interactions energy: -297.298
where: short stacking energy: -130.420
Base-Backbone interact. energy: -1.141
local terms energy: -131.376338
where:
bonds (distance) C4'-P energy: -26.051
bonds (distance) P-C4' energy: -21.487
flat angles C4'-P-C4' energy: -27.806
flat angles P-C4'-P energy: -17.490
tors. eta vs tors. theta energy: -38.541
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: 9, replica: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -226.988169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.988169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.988169 (E_RNA)
where:
Base-Base interactions energy: -126.133
where: short stacking energy: -70.813
Base-Backbone interact. energy: -1.590
local terms energy: -99.264712
where:
bonds (distance) C4'-P energy: -23.072
bonds (distance) P-C4' energy: -24.928
flat angles C4'-P-C4' energy: -28.943
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -12.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -133.203230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.203230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.203230 (E_RNA)
where:
Base-Base interactions energy: -51.488
where: short stacking energy: -32.124
Base-Backbone interact. energy: -0.931
local terms energy: -80.784070
where:
bonds (distance) C4'-P energy: -25.110
bonds (distance) P-C4' energy: -26.011
flat angles C4'-P-C4' energy: -21.987
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: 0.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -541.010285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.010285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.010285 (E_RNA)
where:
Base-Base interactions energy: -380.184
where: short stacking energy: -160.593
Base-Backbone interact. energy: 0.339
local terms energy: -161.165083
where:
bonds (distance) C4'-P energy: -30.509
bonds (distance) P-C4' energy: -32.057
flat angles C4'-P-C4' energy: -33.244
flat angles P-C4'-P energy: -19.108
tors. eta vs tors. theta energy: -46.248
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: 287
Temperature: 0.950000
Total energy: -526.495996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.495996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.495996 (E_RNA)
where:
Base-Base interactions energy: -377.852
where: short stacking energy: -151.387
Base-Backbone interact. energy: -0.451
local terms energy: -148.193167
where:
bonds (distance) C4'-P energy: -20.953
bonds (distance) P-C4' energy: -28.656
flat angles C4'-P-C4' energy: -31.025
flat angles P-C4'-P energy: -21.219
tors. eta vs tors. theta energy: -46.340
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: 8
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -485.988491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.988491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.988491 (E_RNA)
where:
Base-Base interactions energy: -331.318
where: short stacking energy: -141.433
Base-Backbone interact. energy: 1.720
local terms energy: -156.390124
where:
bonds (distance) C4'-P energy: -28.432
bonds (distance) P-C4' energy: -28.729
flat angles C4'-P-C4' energy: -31.151
flat angles P-C4'-P energy: -25.163
tors. eta vs tors. theta energy: -42.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -515.721711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.721711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.721711 (E_RNA)
where:
Base-Base interactions energy: -373.773
where: short stacking energy: -142.157
Base-Backbone interact. energy: -0.072
local terms energy: -141.876517
where:
bonds (distance) C4'-P energy: -30.097
bonds (distance) P-C4' energy: -22.463
flat angles C4'-P-C4' energy: -31.538
flat angles P-C4'-P energy: -16.525
tors. eta vs tors. theta energy: -41.253
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: 9
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -477.560994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.560994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.560994 (E_RNA)
where:
Base-Base interactions energy: -334.434
where: short stacking energy: -149.567
Base-Backbone interact. energy: -0.006
local terms energy: -143.121173
where:
bonds (distance) C4'-P energy: -27.240
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -32.223
flat angles P-C4'-P energy: -15.306
tors. eta vs tors. theta energy: -45.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -444.932438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.932438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.932438 (E_RNA)
where:
Base-Base interactions energy: -306.970
where: short stacking energy: -126.009
Base-Backbone interact. energy: -0.472
local terms energy: -137.490599
where:
bonds (distance) C4'-P energy: -26.134
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -29.709
flat angles P-C4'-P energy: -17.349
tors. eta vs tors. theta energy: -41.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -406.547929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.547929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.547929 (E_RNA)
where:
Base-Base interactions energy: -288.720
where: short stacking energy: -116.384
Base-Backbone interact. energy: 0.497
local terms energy: -118.325148
where:
bonds (distance) C4'-P energy: -23.154
bonds (distance) P-C4' energy: -24.540
flat angles C4'-P-C4' energy: -28.687
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -29.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -424.668890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.668890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.668890 (E_RNA)
where:
Base-Base interactions energy: -291.975
where: short stacking energy: -125.677
Base-Backbone interact. energy: -0.686
local terms energy: -132.007613
where:
bonds (distance) C4'-P energy: -21.449
bonds (distance) P-C4' energy: -27.663
flat angles C4'-P-C4' energy: -26.821
flat angles P-C4'-P energy: -20.230
tors. eta vs tors. theta energy: -35.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -217.668862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.668862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.668862 (E_RNA)
where:
Base-Base interactions energy: -119.164
where: short stacking energy: -59.525
Base-Backbone interact. energy: 0.213
local terms energy: -98.717049
where:
bonds (distance) C4'-P energy: -24.085
bonds (distance) P-C4' energy: -29.748
flat angles C4'-P-C4' energy: -23.399
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -7.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -131.802923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.802923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.802923 (E_RNA)
where:
Base-Base interactions energy: -53.680
where: short stacking energy: -40.725
Base-Backbone interact. energy: -0.212
local terms energy: -77.910700
where:
bonds (distance) C4'-P energy: -24.864
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -24.891
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -531.559898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.559898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.559898 (E_RNA)
where:
Base-Base interactions energy: -377.660
where: short stacking energy: -157.239
Base-Backbone interact. energy: -0.023
local terms energy: -153.876811
where:
bonds (distance) C4'-P energy: -29.023
bonds (distance) P-C4' energy: -24.041
flat angles C4'-P-C4' energy: -32.783
flat angles P-C4'-P energy: -23.239
tors. eta vs tors. theta energy: -44.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -533.945103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.945103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.945103 (E_RNA)
where:
Base-Base interactions energy: -376.153
where: short stacking energy: -159.457
Base-Backbone interact. energy: -0.008
local terms energy: -157.784876
where:
bonds (distance) C4'-P energy: -26.309
bonds (distance) P-C4' energy: -30.960
flat angles C4'-P-C4' energy: -29.988
flat angles P-C4'-P energy: -23.000
tors. eta vs tors. theta energy: -47.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -510.141056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.141056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.141056 (E_RNA)
where:
Base-Base interactions energy: -363.455
where: short stacking energy: -142.489
Base-Backbone interact. energy: -0.042
local terms energy: -146.644460
where:
bonds (distance) C4'-P energy: -26.421
bonds (distance) P-C4' energy: -23.491
flat angles C4'-P-C4' energy: -25.670
flat angles P-C4'-P energy: -23.710
tors. eta vs tors. theta energy: -47.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -469.807876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.807876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.807876 (E_RNA)
where:
Base-Base interactions energy: -337.565
where: short stacking energy: -140.424
Base-Backbone interact. energy: -0.666
local terms energy: -131.576834
where:
bonds (distance) C4'-P energy: -17.921
bonds (distance) P-C4' energy: -27.141
flat angles C4'-P-C4' energy: -30.772
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: -39.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -450.377647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.377647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.377647 (E_RNA)
where:
Base-Base interactions energy: -310.351
where: short stacking energy: -135.360
Base-Backbone interact. energy: -0.319
local terms energy: -139.707494
where:
bonds (distance) C4'-P energy: -24.411
bonds (distance) P-C4' energy: -25.631
flat angles C4'-P-C4' energy: -30.641
flat angles P-C4'-P energy: -22.374
tors. eta vs tors. theta energy: -36.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -467.019135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.019135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.019135 (E_RNA)
where:
Base-Base interactions energy: -309.266
where: short stacking energy: -138.362
Base-Backbone interact. energy: -0.073
local terms energy: -157.680799
where:
bonds (distance) C4'-P energy: -28.733
bonds (distance) P-C4' energy: -31.868
flat angles C4'-P-C4' energy: -30.075
flat angles P-C4'-P energy: -26.270
tors. eta vs tors. theta energy: -40.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -413.928900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.928900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.928900 (E_RNA)
where:
Base-Base interactions energy: -300.133
where: short stacking energy: -125.218
Base-Backbone interact. energy: -0.260
local terms energy: -113.535912
where:
bonds (distance) C4'-P energy: -23.283
bonds (distance) P-C4' energy: -22.304
flat angles C4'-P-C4' energy: -29.168
flat angles P-C4'-P energy: -13.164
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: 8, replica: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -395.994704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.994704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.994704 (E_RNA)
where:
Base-Base interactions energy: -271.592
where: short stacking energy: -114.792
Base-Backbone interact. energy: -0.384
local terms energy: -124.018879
where:
bonds (distance) C4'-P energy: -26.157
bonds (distance) P-C4' energy: -22.683
flat angles C4'-P-C4' energy: -28.858
flat angles P-C4'-P energy: -20.178
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: 9, replica: 7
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -207.176456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.176456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.176456 (E_RNA)
where:
Base-Base interactions energy: -110.635
where: short stacking energy: -59.858
Base-Backbone interact. energy: -0.532
local terms energy: -96.008919
where:
bonds (distance) C4'-P energy: -22.761
bonds (distance) P-C4' energy: -24.558
flat angles C4'-P-C4' energy: -25.477
flat angles P-C4'-P energy: -18.439
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -136.831286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.831286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.831286 (E_RNA)
where:
Base-Base interactions energy: -58.158
where: short stacking energy: -57.822
Base-Backbone interact. energy: -1.425
local terms energy: -77.249021
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -29.257
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -525.320655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.320655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.320655 (E_RNA)
where:
Base-Base interactions energy: -360.624
where: short stacking energy: -156.977
Base-Backbone interact. energy: -0.580
local terms energy: -164.116688
where:
bonds (distance) C4'-P energy: -28.292
bonds (distance) P-C4' energy: -31.678
flat angles C4'-P-C4' energy: -34.308
flat angles P-C4'-P energy: -21.414
tors. eta vs tors. theta energy: -48.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -534.467215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.467215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.467215 (E_RNA)
where:
Base-Base interactions energy: -371.493
where: short stacking energy: -160.611
Base-Backbone interact. energy: -0.197
local terms energy: -162.778105
where:
bonds (distance) C4'-P energy: -28.507
bonds (distance) P-C4' energy: -25.803
flat angles C4'-P-C4' energy: -33.338
flat angles P-C4'-P energy: -27.153
tors. eta vs tors. theta energy: -47.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -519.109126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.109126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.109126 (E_RNA)
where:
Base-Base interactions energy: -365.302
where: short stacking energy: -156.292
Base-Backbone interact. energy: -0.025
local terms energy: -153.782078
where:
bonds (distance) C4'-P energy: -23.684
bonds (distance) P-C4' energy: -27.991
flat angles C4'-P-C4' energy: -32.243
flat angles P-C4'-P energy: -22.542
tors. eta vs tors. theta energy: -47.321
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: 289
Temperature: 1.050000
Total energy: -457.209654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.209654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.209654 (E_RNA)
where:
Base-Base interactions energy: -316.398
where: short stacking energy: -128.855
Base-Backbone interact. energy: -0.103
local terms energy: -140.708966
where:
bonds (distance) C4'-P energy: -28.136
bonds (distance) P-C4' energy: -24.948
flat angles C4'-P-C4' energy: -28.867
flat angles P-C4'-P energy: -19.328
tors. eta vs tors. theta energy: -39.430
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: 8
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -457.059967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.059967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.059967 (E_RNA)
where:
Base-Base interactions energy: -327.120
where: short stacking energy: -143.292
Base-Backbone interact. energy: -0.783
local terms energy: -129.157059
where:
bonds (distance) C4'-P energy: -20.850
bonds (distance) P-C4' energy: -26.307
flat angles C4'-P-C4' energy: -32.147
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: -34.746
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: 6, replica: 9
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -466.551277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.551277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.551277 (E_RNA)
where:
Base-Base interactions energy: -334.103
where: short stacking energy: -137.393
Base-Backbone interact. energy: -0.530
local terms energy: -131.918293
where:
bonds (distance) C4'-P energy: -24.964
bonds (distance) P-C4' energy: -24.368
flat angles C4'-P-C4' energy: -26.140
flat angles P-C4'-P energy: -21.277
tors. eta vs tors. theta energy: -35.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -426.682250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.682250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.682250 (E_RNA)
where:
Base-Base interactions energy: -312.859
where: short stacking energy: -125.831
Base-Backbone interact. energy: -0.101
local terms energy: -113.721318
where:
bonds (distance) C4'-P energy: -23.646
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -26.284
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -33.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -386.521426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.521426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.521426 (E_RNA)
where:
Base-Base interactions energy: -271.539
where: short stacking energy: -114.820
Base-Backbone interact. energy: -0.856
local terms energy: -114.126037
where:
bonds (distance) C4'-P energy: -24.381
bonds (distance) P-C4' energy: -20.888
flat angles C4'-P-C4' energy: -22.808
flat angles P-C4'-P energy: -18.663
tors. eta vs tors. theta energy: -27.386
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: 9, replica: 7
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -211.569393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.569393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.569393 (E_RNA)
where:
Base-Base interactions energy: -109.906
where: short stacking energy: -58.740
Base-Backbone interact. energy: 2.327
local terms energy: -103.990609
where:
bonds (distance) C4'-P energy: -26.880
bonds (distance) P-C4' energy: -25.617
flat angles C4'-P-C4' energy: -22.413
flat angles P-C4'-P energy: -21.892
tors. eta vs tors. theta energy: -7.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -130.155386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.155386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.155386 (E_RNA)
where:
Base-Base interactions energy: -51.013
where: short stacking energy: -50.922
Base-Backbone interact. energy: -1.785
local terms energy: -77.356767
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -22.077
flat angles C4'-P-C4' energy: -20.951
flat angles P-C4'-P energy: -14.349
tors. eta vs tors. theta energy: -2.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -531.083747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.083747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.083747 (E_RNA)
where:
Base-Base interactions energy: -374.380
where: short stacking energy: -143.187
Base-Backbone interact. energy: -0.308
local terms energy: -156.395934
where:
bonds (distance) C4'-P energy: -30.379
bonds (distance) P-C4' energy: -29.144
flat angles C4'-P-C4' energy: -31.805
flat angles P-C4'-P energy: -21.226
tors. eta vs tors. theta energy: -43.843
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: 5
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -509.304283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.304283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.304283 (E_RNA)
where:
Base-Base interactions energy: -364.727
where: short stacking energy: -150.453
Base-Backbone interact. energy: -0.233
local terms energy: -144.344587
where:
bonds (distance) C4'-P energy: -27.200
bonds (distance) P-C4' energy: -25.685
flat angles C4'-P-C4' energy: -28.025
flat angles P-C4'-P energy: -19.680
tors. eta vs tors. theta energy: -43.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -520.397097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.397097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.397097 (E_RNA)
where:
Base-Base interactions energy: -363.383
where: short stacking energy: -160.193
Base-Backbone interact. energy: -0.006
local terms energy: -157.008798
where:
bonds (distance) C4'-P energy: -27.473
bonds (distance) P-C4' energy: -26.685
flat angles C4'-P-C4' energy: -32.358
flat angles P-C4'-P energy: -25.649
tors. eta vs tors. theta energy: -44.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -461.730589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.730589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.730589 (E_RNA)
where:
Base-Base interactions energy: -330.754
where: short stacking energy: -142.778
Base-Backbone interact. energy: -0.428
local terms energy: -130.548631
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -26.950
flat angles C4'-P-C4' energy: -25.987
flat angles P-C4'-P energy: -19.321
tors. eta vs tors. theta energy: -43.451
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: 9
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -460.661690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.661690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.661690 (E_RNA)
where:
Base-Base interactions energy: -327.041
where: short stacking energy: -130.012
Base-Backbone interact. energy: -0.007
local terms energy: -133.613643
where:
bonds (distance) C4'-P energy: -24.776
bonds (distance) P-C4' energy: -28.717
flat angles C4'-P-C4' energy: -30.423
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -38.103
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: 8
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -435.890046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.890046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.890046 (E_RNA)
where:
Base-Base interactions energy: -299.690
where: short stacking energy: -119.738
Base-Backbone interact. energy: -0.185
local terms energy: -136.014566
where:
bonds (distance) C4'-P energy: -19.061
bonds (distance) P-C4' energy: -27.332
flat angles C4'-P-C4' energy: -30.482
flat angles P-C4'-P energy: -22.840
tors. eta vs tors. theta energy: -36.300
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: 7, replica: 1
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -412.724791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.724791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.724791 (E_RNA)
where:
Base-Base interactions energy: -297.310
where: short stacking energy: -131.525
Base-Backbone interact. energy: -0.019
local terms energy: -115.395267
where:
bonds (distance) C4'-P energy: -26.819
bonds (distance) P-C4' energy: -18.860
flat angles C4'-P-C4' energy: -24.348
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -32.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -401.915572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.915572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.915572 (E_RNA)
where:
Base-Base interactions energy: -271.863
where: short stacking energy: -110.173
Base-Backbone interact. energy: -0.079
local terms energy: -129.973638
where:
bonds (distance) C4'-P energy: -27.742
bonds (distance) P-C4' energy: -25.037
flat angles C4'-P-C4' energy: -25.201
flat angles P-C4'-P energy: -13.853
tors. eta vs tors. theta energy: -38.141
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: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -203.326044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.326044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.326044 (E_RNA)
where:
Base-Base interactions energy: -101.103
where: short stacking energy: -52.247
Base-Backbone interact. energy: -1.042
local terms energy: -101.181128
where:
bonds (distance) C4'-P energy: -28.905
bonds (distance) P-C4' energy: -24.118
flat angles C4'-P-C4' energy: -26.170
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: -5.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -151.731143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.731143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.731143 (E_RNA)
where:
Base-Base interactions energy: -55.390
where: short stacking energy: -49.480
Base-Backbone interact. energy: -0.106
local terms energy: -96.235339
where:
bonds (distance) C4'-P energy: -25.323
bonds (distance) P-C4' energy: -28.687
flat angles C4'-P-C4' energy: -20.317
flat angles P-C4'-P energy: -16.005
tors. eta vs tors. theta energy: -5.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -531.042322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.042322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.042322 (E_RNA)
where:
Base-Base interactions energy: -380.950
where: short stacking energy: -154.417
Base-Backbone interact. energy: -0.004
local terms energy: -150.087706
where:
bonds (distance) C4'-P energy: -20.047
bonds (distance) P-C4' energy: -29.090
flat angles C4'-P-C4' energy: -32.543
flat angles P-C4'-P energy: -23.641
tors. eta vs tors. theta energy: -44.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -522.055642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.055642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.055642 (E_RNA)
where:
Base-Base interactions energy: -360.882
where: short stacking energy: -142.956
Base-Backbone interact. energy: -1.419
local terms energy: -159.754894
where:
bonds (distance) C4'-P energy: -25.516
bonds (distance) P-C4' energy: -30.815
flat angles C4'-P-C4' energy: -33.136
flat angles P-C4'-P energy: -23.803
tors. eta vs tors. theta energy: -46.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -512.004261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.004261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.004261 (E_RNA)
where:
Base-Base interactions energy: -355.810
where: short stacking energy: -140.227
Base-Backbone interact. energy: -0.903
local terms energy: -155.290436
where:
bonds (distance) C4'-P energy: -28.968
bonds (distance) P-C4' energy: -25.279
flat angles C4'-P-C4' energy: -32.097
flat angles P-C4'-P energy: -25.784
tors. eta vs tors. theta energy: -43.162
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: 4, replica: 9
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -478.558612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.558612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.558612 (E_RNA)
where:
Base-Base interactions energy: -336.187
where: short stacking energy: -146.433
Base-Backbone interact. energy: -0.707
local terms energy: -141.664141
where:
bonds (distance) C4'-P energy: -24.351
bonds (distance) P-C4' energy: -25.989
flat angles C4'-P-C4' energy: -29.916
flat angles P-C4'-P energy: -21.768
tors. eta vs tors. theta energy: -39.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -456.579086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.579086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.579086 (E_RNA)
where:
Base-Base interactions energy: -327.086
where: short stacking energy: -144.032
Base-Backbone interact. energy: 0.284
local terms energy: -129.777732
where:
bonds (distance) C4'-P energy: -23.868
bonds (distance) P-C4' energy: -18.702
flat angles C4'-P-C4' energy: -24.492
flat angles P-C4'-P energy: -21.477
tors. eta vs tors. theta energy: -41.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -431.928572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.928572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.928572 (E_RNA)
where:
Base-Base interactions energy: -301.003
where: short stacking energy: -120.825
Base-Backbone interact. energy: -1.050
local terms energy: -129.875027
where:
bonds (distance) C4'-P energy: -22.081
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -30.345
flat angles P-C4'-P energy: -18.310
tors. eta vs tors. theta energy: -35.533
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: 1
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -425.918016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.918016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.918016 (E_RNA)
where:
Base-Base interactions energy: -293.005
where: short stacking energy: -110.098
Base-Backbone interact. energy: -0.024
local terms energy: -132.888997
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -28.059
flat angles C4'-P-C4' energy: -27.833
flat angles P-C4'-P energy: -23.043
tors. eta vs tors. theta energy: -36.503
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: 3
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -393.546486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.546486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.546486 (E_RNA)
where:
Base-Base interactions energy: -272.044
where: short stacking energy: -119.082
Base-Backbone interact. energy: -0.371
local terms energy: -121.130605
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -29.864
flat angles C4'-P-C4' energy: -24.073
flat angles P-C4'-P energy: -14.863
tors. eta vs tors. theta energy: -35.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -200.476859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.476859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.476859 (E_RNA)
where:
Base-Base interactions energy: -110.022
where: short stacking energy: -55.754
Base-Backbone interact. energy: 0.963
local terms energy: -91.417308
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -26.012
flat angles C4'-P-C4' energy: -25.616
flat angles P-C4'-P energy: -15.988
tors. eta vs tors. theta energy: -1.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -133.691021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.691021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.691021 (E_RNA)
where:
Base-Base interactions energy: -43.169
where: short stacking energy: -41.964
Base-Backbone interact. energy: 2.463
local terms energy: -92.985216
where:
bonds (distance) C4'-P energy: -26.537
bonds (distance) P-C4' energy: -20.724
flat angles C4'-P-C4' energy: -28.284
flat angles P-C4'-P energy: -18.073
tors. eta vs tors. theta energy: 0.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -528.275724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.275724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.275724 (E_RNA)
where:
Base-Base interactions energy: -373.430
where: short stacking energy: -158.410
Base-Backbone interact. energy: -0.749
local terms energy: -154.096261
where:
bonds (distance) C4'-P energy: -26.769
bonds (distance) P-C4' energy: -28.000
flat angles C4'-P-C4' energy: -30.520
flat angles P-C4'-P energy: -22.076
tors. eta vs tors. theta energy: -46.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -523.684688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.684688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.684688 (E_RNA)
where:
Base-Base interactions energy: -364.119
where: short stacking energy: -156.352
Base-Backbone interact. energy: -0.538
local terms energy: -159.027170
where:
bonds (distance) C4'-P energy: -28.131
bonds (distance) P-C4' energy: -25.536
flat angles C4'-P-C4' energy: -30.964
flat angles P-C4'-P energy: -25.794
tors. eta vs tors. theta energy: -48.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -520.999911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.999911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.999911 (E_RNA)
where:
Base-Base interactions energy: -365.242
where: short stacking energy: -156.854
Base-Backbone interact. energy: -0.341
local terms energy: -155.416110
where:
bonds (distance) C4'-P energy: -30.329
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -33.970
flat angles P-C4'-P energy: -20.994
tors. eta vs tors. theta energy: -46.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -471.842492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.842492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.842492 (E_RNA)
where:
Base-Base interactions energy: -342.761
where: short stacking energy: -141.990
Base-Backbone interact. energy: -0.565
local terms energy: -128.516487
where:
bonds (distance) C4'-P energy: -23.224
bonds (distance) P-C4' energy: -25.456
flat angles C4'-P-C4' energy: -25.478
flat angles P-C4'-P energy: -16.294
tors. eta vs tors. theta energy: -38.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -451.675849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.675849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.675849 (E_RNA)
where:
Base-Base interactions energy: -307.018
where: short stacking energy: -138.299
Base-Backbone interact. energy: 0.573
local terms energy: -145.230267
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -26.471
flat angles C4'-P-C4' energy: -31.990
flat angles P-C4'-P energy: -23.731
tors. eta vs tors. theta energy: -43.210
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: 8
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -433.393185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.393185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.393185 (E_RNA)
where:
Base-Base interactions energy: -304.327
where: short stacking energy: -135.824
Base-Backbone interact. energy: -0.568
local terms energy: -128.498194
where:
bonds (distance) C4'-P energy: -24.414
bonds (distance) P-C4' energy: -22.949
flat angles C4'-P-C4' energy: -31.437
flat angles P-C4'-P energy: -19.306
tors. eta vs tors. theta energy: -30.392
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: 3
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -407.079967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.079967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.079967 (E_RNA)
where:
Base-Base interactions energy: -279.404
where: short stacking energy: -118.553
Base-Backbone interact. energy: -0.227
local terms energy: -127.448772
where:
bonds (distance) C4'-P energy: -19.496
bonds (distance) P-C4' energy: -33.766
flat angles C4'-P-C4' energy: -25.082
flat angles P-C4'-P energy: -19.583
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: 8, replica: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -405.869554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.869554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.869554 (E_RNA)
where:
Base-Base interactions energy: -286.620
where: short stacking energy: -118.014
Base-Backbone interact. energy: -0.150
local terms energy: -119.099977
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -29.717
flat angles C4'-P-C4' energy: -31.384
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -28.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -206.793117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.793117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.793117 (E_RNA)
where:
Base-Base interactions energy: -116.998
where: short stacking energy: -80.867
Base-Backbone interact. energy: -0.478
local terms energy: -89.317581
where:
bonds (distance) C4'-P energy: -24.043
bonds (distance) P-C4' energy: -24.411
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -14.335
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: 10, replica: 4
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -132.319627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.319627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.319627 (E_RNA)
where:
Base-Base interactions energy: -38.186
where: short stacking energy: -37.510
Base-Backbone interact. energy: 0.351
local terms energy: -94.484193
where:
bonds (distance) C4'-P energy: -26.897
bonds (distance) P-C4' energy: -30.094
flat angles C4'-P-C4' energy: -27.191
flat angles P-C4'-P energy: -10.896
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: 1, replica: 10
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -525.919433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.919433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.919433 (E_RNA)
where:
Base-Base interactions energy: -376.927
where: short stacking energy: -152.219
Base-Backbone interact. energy: -0.051
local terms energy: -148.941481
where:
bonds (distance) C4'-P energy: -26.934
bonds (distance) P-C4' energy: -26.625
flat angles C4'-P-C4' energy: -32.127
flat angles P-C4'-P energy: -20.433
tors. eta vs tors. theta energy: -42.823
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: 2, replica: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -521.761738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.761738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.761738 (E_RNA)
where:
Base-Base interactions energy: -383.185
where: short stacking energy: -146.132
Base-Backbone interact. energy: -0.506
local terms energy: -138.071183
where:
bonds (distance) C4'-P energy: -26.120
bonds (distance) P-C4' energy: -21.565
flat angles C4'-P-C4' energy: -28.521
flat angles P-C4'-P energy: -19.894
tors. eta vs tors. theta energy: -41.971
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: 5
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -511.810668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.810668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.810668 (E_RNA)
where:
Base-Base interactions energy: -356.885
where: short stacking energy: -150.490
Base-Backbone interact. energy: -1.132
local terms energy: -153.794111
where:
bonds (distance) C4'-P energy: -26.787
bonds (distance) P-C4' energy: -24.004
flat angles C4'-P-C4' energy: -30.757
flat angles P-C4'-P energy: -24.397
tors. eta vs tors. theta energy: -47.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -467.851605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.851605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.851605 (E_RNA)
where:
Base-Base interactions energy: -330.345
where: short stacking energy: -146.666
Base-Backbone interact. energy: -0.907
local terms energy: -136.600248
where:
bonds (distance) C4'-P energy: -21.608
bonds (distance) P-C4' energy: -27.723
flat angles C4'-P-C4' energy: -27.118
flat angles P-C4'-P energy: -17.310
tors. eta vs tors. theta energy: -42.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -425.896384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.896384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.896384 (E_RNA)
where:
Base-Base interactions energy: -284.410
where: short stacking energy: -134.465
Base-Backbone interact. energy: -0.031
local terms energy: -141.455284
where:
bonds (distance) C4'-P energy: -32.267
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -27.014
flat angles P-C4'-P energy: -22.042
tors. eta vs tors. theta energy: -37.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -444.252286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.252286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.252286 (E_RNA)
where:
Base-Base interactions energy: -327.440
where: short stacking energy: -126.183
Base-Backbone interact. energy: -0.258
local terms energy: -116.555158
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -24.114
flat angles C4'-P-C4' energy: -23.737
flat angles P-C4'-P energy: -15.083
tors. eta vs tors. theta energy: -30.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -407.538428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.538428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.538428 (E_RNA)
where:
Base-Base interactions energy: -277.724
where: short stacking energy: -117.279
Base-Backbone interact. energy: 0.005
local terms energy: -129.819530
where:
bonds (distance) C4'-P energy: -30.835
bonds (distance) P-C4' energy: -24.330
flat angles C4'-P-C4' energy: -24.371
flat angles P-C4'-P energy: -15.956
tors. eta vs tors. theta energy: -34.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -383.792991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.792991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.792991 (E_RNA)
where:
Base-Base interactions energy: -267.420
where: short stacking energy: -109.702
Base-Backbone interact. energy: 0.297
local terms energy: -116.669876
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -25.816
flat angles C4'-P-C4' energy: -28.623
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -34.150
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: 7
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -204.337078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.337078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.337078 (E_RNA)
where:
Base-Base interactions energy: -118.343
where: short stacking energy: -61.463
Base-Backbone interact. energy: -0.266
local terms energy: -85.728441
where:
bonds (distance) C4'-P energy: -23.534
bonds (distance) P-C4' energy: -25.512
flat angles C4'-P-C4' energy: -24.434
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -137.416014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.416014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.416014 (E_RNA)
where:
Base-Base interactions energy: -48.133
where: short stacking energy: -45.968
Base-Backbone interact. energy: -0.500
local terms energy: -88.782660
where:
bonds (distance) C4'-P energy: -28.350
bonds (distance) P-C4' energy: -29.281
flat angles C4'-P-C4' energy: -25.083
flat angles P-C4'-P energy: -4.073
tors. eta vs tors. theta energy: -1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -543.467985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.467985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.467985 (E_RNA)
where:
Base-Base interactions energy: -387.519
where: short stacking energy: -147.154
Base-Backbone interact. energy: -0.101
local terms energy: -155.848022
where:
bonds (distance) C4'-P energy: -32.111
bonds (distance) P-C4' energy: -28.288
flat angles C4'-P-C4' energy: -29.197
flat angles P-C4'-P energy: -23.530
tors. eta vs tors. theta energy: -42.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -530.122051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.122051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.122051 (E_RNA)
where:
Base-Base interactions energy: -377.321
where: short stacking energy: -154.953
Base-Backbone interact. energy: -0.121
local terms energy: -152.680053
where:
bonds (distance) C4'-P energy: -26.246
bonds (distance) P-C4' energy: -28.833
flat angles C4'-P-C4' energy: -31.424
flat angles P-C4'-P energy: -20.291
tors. eta vs tors. theta energy: -45.886
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: 5
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -506.784365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.784365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.784365 (E_RNA)
where:
Base-Base interactions energy: -347.570
where: short stacking energy: -154.048
Base-Backbone interact. energy: 0.366
local terms energy: -159.580157
where:
bonds (distance) C4'-P energy: -25.836
bonds (distance) P-C4' energy: -28.706
flat angles C4'-P-C4' energy: -31.644
flat angles P-C4'-P energy: -25.366
tors. eta vs tors. theta energy: -48.029
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: 9
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -469.470635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.470635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.470635 (E_RNA)
where:
Base-Base interactions energy: -331.978
where: short stacking energy: -137.945
Base-Backbone interact. energy: -0.065
local terms energy: -137.427263
where:
bonds (distance) C4'-P energy: -23.441
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -29.878
flat angles P-C4'-P energy: -22.415
tors. eta vs tors. theta energy: -41.869
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: 6
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -434.285050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.285050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.285050 (E_RNA)
where:
Base-Base interactions energy: -301.820
where: short stacking energy: -138.716
Base-Backbone interact. energy: -0.164
local terms energy: -132.300765
where:
bonds (distance) C4'-P energy: -28.496
bonds (distance) P-C4' energy: -19.652
flat angles C4'-P-C4' energy: -27.215
flat angles P-C4'-P energy: -15.408
tors. eta vs tors. theta energy: -41.531
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: 8
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -439.996421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.996421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.996421 (E_RNA)
where:
Base-Base interactions energy: -315.708
where: short stacking energy: -129.368
Base-Backbone interact. energy: -0.196
local terms energy: -124.092988
where:
bonds (distance) C4'-P energy: -22.782
bonds (distance) P-C4' energy: -19.660
flat angles C4'-P-C4' energy: -31.324
flat angles P-C4'-P energy: -19.031
tors. eta vs tors. theta energy: -31.296
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: 294
Temperature: 1.200000
Total energy: -418.354305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.354305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.354305 (E_RNA)
where:
Base-Base interactions energy: -280.444
where: short stacking energy: -125.948
Base-Backbone interact. energy: -0.886
local terms energy: -137.025227
where:
bonds (distance) C4'-P energy: -21.675
bonds (distance) P-C4' energy: -26.289
flat angles C4'-P-C4' energy: -28.899
flat angles P-C4'-P energy: -24.507
tors. eta vs tors. theta energy: -35.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -348.325199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.325199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.325199 (E_RNA)
where:
Base-Base interactions energy: -241.573
where: short stacking energy: -105.999
Base-Backbone interact. energy: 3.097
local terms energy: -109.848740
where:
bonds (distance) C4'-P energy: -28.202
bonds (distance) P-C4' energy: -24.788
flat angles C4'-P-C4' energy: -20.951
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -22.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -212.297803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.297803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.297803 (E_RNA)
where:
Base-Base interactions energy: -115.950
where: short stacking energy: -69.964
Base-Backbone interact. energy: 1.188
local terms energy: -97.535341
where:
bonds (distance) C4'-P energy: -29.140
bonds (distance) P-C4' energy: -25.968
flat angles C4'-P-C4' energy: -21.603
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -10.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -193.995473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.995473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.995473 (E_RNA)
where:
Base-Base interactions energy: -94.616
where: short stacking energy: -62.097
Base-Backbone interact. energy: -0.378
local terms energy: -99.001102
where:
bonds (distance) C4'-P energy: -21.793
bonds (distance) P-C4' energy: -29.652
flat angles C4'-P-C4' energy: -29.336
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -2.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -535.498412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.498412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.498412 (E_RNA)
where:
Base-Base interactions energy: -378.130
where: short stacking energy: -152.965
Base-Backbone interact. energy: 0.061
local terms energy: -157.429864
where:
bonds (distance) C4'-P energy: -24.670
bonds (distance) P-C4' energy: -28.077
flat angles C4'-P-C4' energy: -35.791
flat angles P-C4'-P energy: -22.709
tors. eta vs tors. theta energy: -46.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -528.631307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.631307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.631307 (E_RNA)
where:
Base-Base interactions energy: -380.651
where: short stacking energy: -149.224
Base-Backbone interact. energy: -0.023
local terms energy: -147.957306
where:
bonds (distance) C4'-P energy: -23.435
bonds (distance) P-C4' energy: -28.099
flat angles C4'-P-C4' energy: -28.987
flat angles P-C4'-P energy: -22.986
tors. eta vs tors. theta energy: -44.451
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: 295
Temperature: 1.000000
Total energy: -499.327834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.327834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.327834 (E_RNA)
where:
Base-Base interactions energy: -346.324
where: short stacking energy: -163.615
Base-Backbone interact. energy: -0.016
local terms energy: -152.988029
where:
bonds (distance) C4'-P energy: -26.264
bonds (distance) P-C4' energy: -24.724
flat angles C4'-P-C4' energy: -28.495
flat angles P-C4'-P energy: -26.104
tors. eta vs tors. theta energy: -47.401
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: 6
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -450.149322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.149322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.149322 (E_RNA)
where:
Base-Base interactions energy: -303.881
where: short stacking energy: -134.391
Base-Backbone interact. energy: 0.928
local terms energy: -147.195825
where:
bonds (distance) C4'-P energy: -25.755
bonds (distance) P-C4' energy: -25.443
flat angles C4'-P-C4' energy: -26.554
flat angles P-C4'-P energy: -27.702
tors. eta vs tors. theta energy: -41.742
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: 9
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -469.652501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.652501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.652501 (E_RNA)
where:
Base-Base interactions energy: -333.703
where: short stacking energy: -139.867
Base-Backbone interact. energy: -0.162
local terms energy: -135.787369
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -30.932
flat angles C4'-P-C4' energy: -30.958
flat angles P-C4'-P energy: -22.943
tors. eta vs tors. theta energy: -37.033
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: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -435.554284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.554284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.554284 (E_RNA)
where:
Base-Base interactions energy: -296.684
where: short stacking energy: -131.050
Base-Backbone interact. energy: -0.387
local terms energy: -138.483095
where:
bonds (distance) C4'-P energy: -27.923
bonds (distance) P-C4' energy: -23.406
flat angles C4'-P-C4' energy: -29.126
flat angles P-C4'-P energy: -18.905
tors. eta vs tors. theta energy: -39.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -401.680442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.680442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.680442 (E_RNA)
where:
Base-Base interactions energy: -284.758
where: short stacking energy: -122.209
Base-Backbone interact. energy: -0.246
local terms energy: -116.675897
where:
bonds (distance) C4'-P energy: -24.699
bonds (distance) P-C4' energy: -20.179
flat angles C4'-P-C4' energy: -27.160
flat angles P-C4'-P energy: -15.818
tors. eta vs tors. theta energy: -28.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -341.187404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.187404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.187404 (E_RNA)
where:
Base-Base interactions energy: -222.443
where: short stacking energy: -88.914
Base-Backbone interact. energy: 0.448
local terms energy: -119.192904
where:
bonds (distance) C4'-P energy: -24.186
bonds (distance) P-C4' energy: -20.432
flat angles C4'-P-C4' energy: -27.441
flat angles P-C4'-P energy: -19.258
tors. eta vs tors. theta energy: -27.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -200.354402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.354402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.354402 (E_RNA)
where:
Base-Base interactions energy: -99.261
where: short stacking energy: -60.069
Base-Backbone interact. energy: 2.828
local terms energy: -103.921366
where:
bonds (distance) C4'-P energy: -26.223
bonds (distance) P-C4' energy: -24.606
flat angles C4'-P-C4' energy: -27.360
flat angles P-C4'-P energy: -17.231
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: 10, replica: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -215.136588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.136588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.136588 (E_RNA)
where:
Base-Base interactions energy: -114.735
where: short stacking energy: -58.987
Base-Backbone interact. energy: 0.154
local terms energy: -100.554959
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -29.705
flat angles C4'-P-C4' energy: -25.482
flat angles P-C4'-P energy: -17.625
tors. eta vs tors. theta energy: -0.250
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: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -546.545260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.545260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.545260 (E_RNA)
where:
Base-Base interactions energy: -387.216
where: short stacking energy: -159.634
Base-Backbone interact. energy: -0.043
local terms energy: -159.286540
where:
bonds (distance) C4'-P energy: -28.445
bonds (distance) P-C4' energy: -33.006
flat angles C4'-P-C4' energy: -29.943
flat angles P-C4'-P energy: -20.352
tors. eta vs tors. theta energy: -47.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -531.110786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.110786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.110786 (E_RNA)
where:
Base-Base interactions energy: -372.908
where: short stacking energy: -156.093
Base-Backbone interact. energy: -0.595
local terms energy: -157.608220
where:
bonds (distance) C4'-P energy: -27.627
bonds (distance) P-C4' energy: -28.769
flat angles C4'-P-C4' energy: -32.328
flat angles P-C4'-P energy: -20.960
tors. eta vs tors. theta energy: -47.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -505.556396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.556396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.556396 (E_RNA)
where:
Base-Base interactions energy: -336.708
where: short stacking energy: -155.297
Base-Backbone interact. energy: -1.335
local terms energy: -167.514337
where:
bonds (distance) C4'-P energy: -29.741
bonds (distance) P-C4' energy: -31.567
flat angles C4'-P-C4' energy: -31.782
flat angles P-C4'-P energy: -26.092
tors. eta vs tors. theta energy: -48.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -450.345113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.345113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.345113 (E_RNA)
where:
Base-Base interactions energy: -311.523
where: short stacking energy: -138.090
Base-Backbone interact. energy: 0.097
local terms energy: -138.918787
where:
bonds (distance) C4'-P energy: -28.212
bonds (distance) P-C4' energy: -28.085
flat angles C4'-P-C4' energy: -25.955
flat angles P-C4'-P energy: -23.200
tors. eta vs tors. theta energy: -33.467
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: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -464.538151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.538151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.538151 (E_RNA)
where:
Base-Base interactions energy: -318.154
where: short stacking energy: -134.940
Base-Backbone interact. energy: -0.433
local terms energy: -145.951597
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -23.257
flat angles C4'-P-C4' energy: -36.119
flat angles P-C4'-P energy: -21.577
tors. eta vs tors. theta energy: -42.466
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: 296
Temperature: 1.150000
Total energy: -409.246840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.246840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.246840 (E_RNA)
where:
Base-Base interactions energy: -282.894
where: short stacking energy: -123.002
Base-Backbone interact. energy: -1.144
local terms energy: -125.208378
where:
bonds (distance) C4'-P energy: -24.677
bonds (distance) P-C4' energy: -23.619
flat angles C4'-P-C4' energy: -26.410
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: -34.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -399.813522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.813522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.813522 (E_RNA)
where:
Base-Base interactions energy: -271.707
where: short stacking energy: -113.114
Base-Backbone interact. energy: -0.849
local terms energy: -127.256913
where:
bonds (distance) C4'-P energy: -23.921
bonds (distance) P-C4' energy: -24.165
flat angles C4'-P-C4' energy: -32.439
flat angles P-C4'-P energy: -17.638
tors. eta vs tors. theta energy: -29.094
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: 1
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -314.843259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.843259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.843259 (E_RNA)
where:
Base-Base interactions energy: -201.143
where: short stacking energy: -93.604
Base-Backbone interact. energy: -0.357
local terms energy: -113.343397
where:
bonds (distance) C4'-P energy: -28.300
bonds (distance) P-C4' energy: -27.757
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -16.010
tors. eta vs tors. theta energy: -17.227
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: 9, replica: 4
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -206.541136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.541136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.541136 (E_RNA)
where:
Base-Base interactions energy: -114.600
where: short stacking energy: -60.358
Base-Backbone interact. energy: -0.505
local terms energy: -91.435396
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -29.031
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -16.320
tors. eta vs tors. theta energy: -9.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -191.447199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.447199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.447199 (E_RNA)
where:
Base-Base interactions energy: -103.219
where: short stacking energy: -57.371
Base-Backbone interact. energy: -0.728
local terms energy: -87.500479
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -25.214
flat angles C4'-P-C4' energy: -28.684
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -7.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -535.393029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.393029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.393029 (E_RNA)
where:
Base-Base interactions energy: -372.353
where: short stacking energy: -157.311
Base-Backbone interact. energy: -0.007
local terms energy: -163.032901
where:
bonds (distance) C4'-P energy: -29.891
bonds (distance) P-C4' energy: -33.229
flat angles C4'-P-C4' energy: -31.788
flat angles P-C4'-P energy: -22.929
tors. eta vs tors. theta energy: -45.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -517.625222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.625222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.625222 (E_RNA)
where:
Base-Base interactions energy: -359.104
where: short stacking energy: -159.327
Base-Backbone interact. energy: 0.299
local terms energy: -158.819524
where:
bonds (distance) C4'-P energy: -32.452
bonds (distance) P-C4' energy: -26.047
flat angles C4'-P-C4' energy: -33.503
flat angles P-C4'-P energy: -22.776
tors. eta vs tors. theta energy: -44.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -524.512074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.512074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.512074 (E_RNA)
where:
Base-Base interactions energy: -369.821
where: short stacking energy: -157.931
Base-Backbone interact. energy: -0.029
local terms energy: -154.662576
where:
bonds (distance) C4'-P energy: -26.946
bonds (distance) P-C4' energy: -28.729
flat angles C4'-P-C4' energy: -29.665
flat angles P-C4'-P energy: -20.220
tors. eta vs tors. theta energy: -49.103
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: 9
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -468.364921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.364921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.364921 (E_RNA)
where:
Base-Base interactions energy: -331.139
where: short stacking energy: -134.515
Base-Backbone interact. energy: -0.185
local terms energy: -137.040785
where:
bonds (distance) C4'-P energy: -27.067
bonds (distance) P-C4' energy: -27.513
flat angles C4'-P-C4' energy: -25.017
flat angles P-C4'-P energy: -21.221
tors. eta vs tors. theta energy: -36.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -433.745995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.745995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.745995 (E_RNA)
where:
Base-Base interactions energy: -301.802
where: short stacking energy: -145.808
Base-Backbone interact. energy: -0.287
local terms energy: -131.656852
where:
bonds (distance) C4'-P energy: -25.888
bonds (distance) P-C4' energy: -23.069
flat angles C4'-P-C4' energy: -30.531
flat angles P-C4'-P energy: -16.428
tors. eta vs tors. theta energy: -35.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -418.436432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.436432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.436432 (E_RNA)
where:
Base-Base interactions energy: -288.472
where: short stacking energy: -131.165
Base-Backbone interact. energy: -0.450
local terms energy: -129.514212
where:
bonds (distance) C4'-P energy: -24.297
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -29.279
flat angles P-C4'-P energy: -20.394
tors. eta vs tors. theta energy: -33.743
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: 3
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -420.277951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.277951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.277951 (E_RNA)
where:
Base-Base interactions energy: -287.995
where: short stacking energy: -125.353
Base-Backbone interact. energy: -0.080
local terms energy: -132.202995
where:
bonds (distance) C4'-P energy: -21.106
bonds (distance) P-C4' energy: -24.390
flat angles C4'-P-C4' energy: -31.292
flat angles P-C4'-P energy: -19.423
tors. eta vs tors. theta energy: -35.991
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: 297
Temperature: 1.250000
Total energy: -340.669717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.669717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.669717 (E_RNA)
where:
Base-Base interactions energy: -212.520
where: short stacking energy: -98.436
Base-Backbone interact. energy: -1.105
local terms energy: -127.044933
where:
bonds (distance) C4'-P energy: -27.250
bonds (distance) P-C4' energy: -30.658
flat angles C4'-P-C4' energy: -23.501
flat angles P-C4'-P energy: -20.072
tors. eta vs tors. theta energy: -25.565
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: 4
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -227.050755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.050755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.050755 (E_RNA)
where:
Base-Base interactions energy: -123.476
where: short stacking energy: -72.094
Base-Backbone interact. energy: -0.121
local terms energy: -103.453454
where:
bonds (distance) C4'-P energy: -23.961
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -20.877
flat angles P-C4'-P energy: -19.969
tors. eta vs tors. theta energy: -16.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -199.235655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.235655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.235655 (E_RNA)
where:
Base-Base interactions energy: -129.271
where: short stacking energy: -56.867
Base-Backbone interact. energy: -0.238
local terms energy: -69.726504
where:
bonds (distance) C4'-P energy: -20.845
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -6.760
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: 10
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -533.426532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.426532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.426532 (E_RNA)
where:
Base-Base interactions energy: -378.443
where: short stacking energy: -154.568
Base-Backbone interact. energy: -0.245
local terms energy: -154.738221
where:
bonds (distance) C4'-P energy: -21.632
bonds (distance) P-C4' energy: -29.835
flat angles C4'-P-C4' energy: -33.093
flat angles P-C4'-P energy: -24.853
tors. eta vs tors. theta energy: -45.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -508.799167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.799167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.799167 (E_RNA)
where:
Base-Base interactions energy: -355.201
where: short stacking energy: -157.992
Base-Backbone interact. energy: -0.821
local terms energy: -152.776955
where:
bonds (distance) C4'-P energy: -29.286
bonds (distance) P-C4' energy: -28.459
flat angles C4'-P-C4' energy: -28.959
flat angles P-C4'-P energy: -23.026
tors. eta vs tors. theta energy: -43.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -510.567916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.567916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.567916 (E_RNA)
where:
Base-Base interactions energy: -356.846
where: short stacking energy: -142.732
Base-Backbone interact. energy: 1.503
local terms energy: -155.225329
where:
bonds (distance) C4'-P energy: -29.981
bonds (distance) P-C4' energy: -25.312
flat angles C4'-P-C4' energy: -32.652
flat angles P-C4'-P energy: -24.658
tors. eta vs tors. theta energy: -42.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -489.997650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.997650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.997650 (E_RNA)
where:
Base-Base interactions energy: -342.996
where: short stacking energy: -137.859
Base-Backbone interact. energy: -0.723
local terms energy: -146.278832
where:
bonds (distance) C4'-P energy: -24.160
bonds (distance) P-C4' energy: -30.235
flat angles C4'-P-C4' energy: -32.046
flat angles P-C4'-P energy: -19.985
tors. eta vs tors. theta energy: -39.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -420.682872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.682872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.682872 (E_RNA)
where:
Base-Base interactions energy: -280.114
where: short stacking energy: -134.429
Base-Backbone interact. energy: -0.010
local terms energy: -140.559473
where:
bonds (distance) C4'-P energy: -21.797
bonds (distance) P-C4' energy: -30.208
flat angles C4'-P-C4' energy: -30.793
flat angles P-C4'-P energy: -20.258
tors. eta vs tors. theta energy: -37.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -445.494503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.494503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.494503 (E_RNA)
where:
Base-Base interactions energy: -309.803
where: short stacking energy: -140.166
Base-Backbone interact. energy: -0.278
local terms energy: -135.413455
where:
bonds (distance) C4'-P energy: -22.986
bonds (distance) P-C4' energy: -21.744
flat angles C4'-P-C4' energy: -27.467
flat angles P-C4'-P energy: -21.101
tors. eta vs tors. theta energy: -42.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -414.214184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.214184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.214184 (E_RNA)
where:
Base-Base interactions energy: -282.763
where: short stacking energy: -127.171
Base-Backbone interact. energy: -0.082
local terms energy: -131.369132
where:
bonds (distance) C4'-P energy: -25.482
bonds (distance) P-C4' energy: -26.907
flat angles C4'-P-C4' energy: -27.185
flat angles P-C4'-P energy: -15.991
tors. eta vs tors. theta energy: -35.803
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: 1
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -302.972904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.972904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.972904 (E_RNA)
where:
Base-Base interactions energy: -206.831
where: short stacking energy: -88.181
Base-Backbone interact. energy: -0.865
local terms energy: -95.277287
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -25.095
flat angles C4'-P-C4' energy: -23.929
flat angles P-C4'-P energy: -16.311
tors. eta vs tors. theta energy: -13.474
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: 7
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -203.118919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.118919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.118919 (E_RNA)
where:
Base-Base interactions energy: -103.184
where: short stacking energy: -61.600
Base-Backbone interact. energy: -0.730
local terms energy: -99.204356
where:
bonds (distance) C4'-P energy: -19.301
bonds (distance) P-C4' energy: -24.187
flat angles C4'-P-C4' energy: -27.125
flat angles P-C4'-P energy: -18.012
tors. eta vs tors. theta energy: -10.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -185.902314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.902314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.902314 (E_RNA)
where:
Base-Base interactions energy: -94.004
where: short stacking energy: -52.020
Base-Backbone interact. energy: 2.238
local terms energy: -94.135941
where:
bonds (distance) C4'-P energy: -26.687
bonds (distance) P-C4' energy: -25.876
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -17.315
tors. eta vs tors. theta energy: -2.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -533.910915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.910915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.910915 (E_RNA)
where:
Base-Base interactions energy: -382.607
where: short stacking energy: -163.495
Base-Backbone interact. energy: -0.018
local terms energy: -151.285922
where:
bonds (distance) C4'-P energy: -23.400
bonds (distance) P-C4' energy: -26.794
flat angles C4'-P-C4' energy: -32.978
flat angles P-C4'-P energy: -19.968
tors. eta vs tors. theta energy: -48.147
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: 5
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -509.535830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.535830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.535830 (E_RNA)
where:
Base-Base interactions energy: -354.433
where: short stacking energy: -152.365
Base-Backbone interact. energy: -0.051
local terms energy: -155.052153
where:
bonds (distance) C4'-P energy: -29.459
bonds (distance) P-C4' energy: -25.737
flat angles C4'-P-C4' energy: -31.040
flat angles P-C4'-P energy: -23.540
tors. eta vs tors. theta energy: -45.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -523.895212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.895212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.895212 (E_RNA)
where:
Base-Base interactions energy: -365.105
where: short stacking energy: -150.459
Base-Backbone interact. energy: -0.083
local terms energy: -158.707547
where:
bonds (distance) C4'-P energy: -31.219
bonds (distance) P-C4' energy: -29.730
flat angles C4'-P-C4' energy: -34.325
flat angles P-C4'-P energy: -21.959
tors. eta vs tors. theta energy: -41.475
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: 9
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -499.218980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.218980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.218980 (E_RNA)
where:
Base-Base interactions energy: -352.597
where: short stacking energy: -141.993
Base-Backbone interact. energy: -0.277
local terms energy: -146.345068
where:
bonds (distance) C4'-P energy: -22.496
bonds (distance) P-C4' energy: -34.082
flat angles C4'-P-C4' energy: -31.627
flat angles P-C4'-P energy: -17.488
tors. eta vs tors. theta energy: -40.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -424.603502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.603502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.603502 (E_RNA)
where:
Base-Base interactions energy: -287.310
where: short stacking energy: -125.115
Base-Backbone interact. energy: -0.546
local terms energy: -136.747363
where:
bonds (distance) C4'-P energy: -26.244
bonds (distance) P-C4' energy: -24.657
flat angles C4'-P-C4' energy: -29.315
flat angles P-C4'-P energy: -18.957
tors. eta vs tors. theta energy: -37.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -435.657552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.657552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.657552 (E_RNA)
where:
Base-Base interactions energy: -296.739
where: short stacking energy: -140.725
Base-Backbone interact. energy: -0.040
local terms energy: -138.878464
where:
bonds (distance) C4'-P energy: -25.771
bonds (distance) P-C4' energy: -22.924
flat angles C4'-P-C4' energy: -29.237
flat angles P-C4'-P energy: -17.420
tors. eta vs tors. theta energy: -43.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -432.699437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.699437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.699437 (E_RNA)
where:
Base-Base interactions energy: -294.145
where: short stacking energy: -137.137
Base-Backbone interact. energy: -0.038
local terms energy: -138.516516
where:
bonds (distance) C4'-P energy: -22.263
bonds (distance) P-C4' energy: -24.342
flat angles C4'-P-C4' energy: -29.455
flat angles P-C4'-P energy: -19.606
tors. eta vs tors. theta energy: -42.850
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: 299
Temperature: 1.250000
Total energy: -342.019246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.019246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.019246 (E_RNA)
where:
Base-Base interactions energy: -224.420
where: short stacking energy: -97.755
Base-Backbone interact. energy: 0.393
local terms energy: -117.992249
where:
bonds (distance) C4'-P energy: -28.313
bonds (distance) P-C4' energy: -26.421
flat angles C4'-P-C4' energy: -25.644
flat angles P-C4'-P energy: -16.679
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: 9, replica: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -204.214437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.214437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.214437 (E_RNA)
where:
Base-Base interactions energy: -111.923
where: short stacking energy: -64.306
Base-Backbone interact. energy: 3.268
local terms energy: -95.559775
where:
bonds (distance) C4'-P energy: -26.137
bonds (distance) P-C4' energy: -22.504
flat angles C4'-P-C4' energy: -23.459
flat angles P-C4'-P energy: -14.749
tors. eta vs tors. theta energy: -8.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -193.818701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.818701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.818701 (E_RNA)
where:
Base-Base interactions energy: -106.607
where: short stacking energy: -54.729
Base-Backbone interact. energy: -0.883
local terms energy: -86.329101
where:
bonds (distance) C4'-P energy: -25.054
bonds (distance) P-C4' energy: -24.680
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -15.723
tors. eta vs tors. theta energy: -4.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -538.865901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.865901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.865901 (E_RNA)
where:
Base-Base interactions energy: -375.801
where: short stacking energy: -156.958
Base-Backbone interact. energy: -0.637
local terms energy: -162.427856
where:
bonds (distance) C4'-P energy: -23.849
bonds (distance) P-C4' energy: -30.236
flat angles C4'-P-C4' energy: -35.034
flat angles P-C4'-P energy: -24.398
tors. eta vs tors. theta energy: -48.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -514.861539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.861539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.861539 (E_RNA)
where:
Base-Base interactions energy: -357.415
where: short stacking energy: -163.282
Base-Backbone interact. energy: -2.609
local terms energy: -154.838113
where:
bonds (distance) C4'-P energy: -27.366
bonds (distance) P-C4' energy: -27.917
flat angles C4'-P-C4' energy: -31.773
flat angles P-C4'-P energy: -19.455
tors. eta vs tors. theta energy: -48.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -512.950562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.950562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.950562 (E_RNA)
where:
Base-Base interactions energy: -359.799
where: short stacking energy: -155.038
Base-Backbone interact. energy: 0.449
local terms energy: -153.601153
where:
bonds (distance) C4'-P energy: -25.156
bonds (distance) P-C4' energy: -31.337
flat angles C4'-P-C4' energy: -26.420
flat angles P-C4'-P energy: -26.583
tors. eta vs tors. theta energy: -44.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -459.074925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.074925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.074925 (E_RNA)
where:
Base-Base interactions energy: -316.393
where: short stacking energy: -125.592
Base-Backbone interact. energy: -0.933
local terms energy: -141.748962
where:
bonds (distance) C4'-P energy: -27.113
bonds (distance) P-C4' energy: -29.031
flat angles C4'-P-C4' energy: -32.602
flat angles P-C4'-P energy: -18.763
tors. eta vs tors. theta energy: -34.240
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: 8
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -445.505001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.505001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.505001 (E_RNA)
where:
Base-Base interactions energy: -320.897
where: short stacking energy: -130.208
Base-Backbone interact. energy: -0.324
local terms energy: -124.284339
where:
bonds (distance) C4'-P energy: -17.384
bonds (distance) P-C4' energy: -26.836
flat angles C4'-P-C4' energy: -26.125
flat angles P-C4'-P energy: -18.305
tors. eta vs tors. theta energy: -35.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -426.231271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.231271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.231271 (E_RNA)
where:
Base-Base interactions energy: -294.546
where: short stacking energy: -140.154
Base-Backbone interact. energy: -0.500
local terms energy: -131.185442
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -31.715
flat angles C4'-P-C4' energy: -23.054
flat angles P-C4'-P energy: -18.286
tors. eta vs tors. theta energy: -40.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -427.131500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.131500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.131500 (E_RNA)
where:
Base-Base interactions energy: -285.104
where: short stacking energy: -120.639
Base-Backbone interact. energy: -0.012
local terms energy: -142.015475
where:
bonds (distance) C4'-P energy: -24.215
bonds (distance) P-C4' energy: -28.113
flat angles C4'-P-C4' energy: -34.869
flat angles P-C4'-P energy: -20.215
tors. eta vs tors. theta energy: -34.603
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: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -349.108220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.108220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.108220 (E_RNA)
where:
Base-Base interactions energy: -235.390
where: short stacking energy: -97.225
Base-Backbone interact. energy: -0.737
local terms energy: -112.980994
where:
bonds (distance) C4'-P energy: -22.626
bonds (distance) P-C4' energy: -24.862
flat angles C4'-P-C4' energy: -29.861
flat angles P-C4'-P energy: -15.150
tors. eta vs tors. theta energy: -20.481
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: 4
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -211.411728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.411728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.411728 (E_RNA)
where:
Base-Base interactions energy: -115.576
where: short stacking energy: -67.646
Base-Backbone interact. energy: -0.426
local terms energy: -95.409800
where:
bonds (distance) C4'-P energy: -21.483
bonds (distance) P-C4' energy: -22.529
flat angles C4'-P-C4' energy: -25.350
flat angles P-C4'-P energy: -17.051
tors. eta vs tors. theta energy: -8.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -202.058212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.058212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.058212 (E_RNA)
where:
Base-Base interactions energy: -105.290
where: short stacking energy: -67.119
Base-Backbone interact. energy: -1.880
local terms energy: -94.887586
where:
bonds (distance) C4'-P energy: -22.236
bonds (distance) P-C4' energy: -25.546
flat angles C4'-P-C4' energy: -25.222
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -7.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -543.276330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.276330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.276330 (E_RNA)
where:
Base-Base interactions energy: -382.390
where: short stacking energy: -152.818
Base-Backbone interact. energy: -0.091
local terms energy: -160.795331
where:
bonds (distance) C4'-P energy: -33.471
bonds (distance) P-C4' energy: -32.608
flat angles C4'-P-C4' energy: -26.344
flat angles P-C4'-P energy: -23.785
tors. eta vs tors. theta energy: -44.586
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: 301
Temperature: 0.950000
Total energy: -536.951138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.951138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.951138 (E_RNA)
where:
Base-Base interactions energy: -378.542
where: short stacking energy: -157.249
Base-Backbone interact. energy: -0.514
local terms energy: -157.895188
where:
bonds (distance) C4'-P energy: -25.560
bonds (distance) P-C4' energy: -29.898
flat angles C4'-P-C4' energy: -30.469
flat angles P-C4'-P energy: -23.287
tors. eta vs tors. theta energy: -48.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -518.045820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.045820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.045820 (E_RNA)
where:
Base-Base interactions energy: -355.780
where: short stacking energy: -152.093
Base-Backbone interact. energy: -0.002
local terms energy: -162.263469
where:
bonds (distance) C4'-P energy: -29.369
bonds (distance) P-C4' energy: -33.047
flat angles C4'-P-C4' energy: -29.067
flat angles P-C4'-P energy: -25.391
tors. eta vs tors. theta energy: -45.390
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: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -481.389400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.389400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.389400 (E_RNA)
where:
Base-Base interactions energy: -337.970
where: short stacking energy: -142.987
Base-Backbone interact. energy: -0.396
local terms energy: -143.023844
where:
bonds (distance) C4'-P energy: -22.539
bonds (distance) P-C4' energy: -23.163
flat angles C4'-P-C4' energy: -33.445
flat angles P-C4'-P energy: -22.334
tors. eta vs tors. theta energy: -41.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -447.852808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.852808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.852808 (E_RNA)
where:
Base-Base interactions energy: -313.466
where: short stacking energy: -131.310
Base-Backbone interact. energy: 1.098
local terms energy: -135.484206
where:
bonds (distance) C4'-P energy: -26.735
bonds (distance) P-C4' energy: -29.807
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -22.967
tors. eta vs tors. theta energy: -36.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -436.746490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.746490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.746490 (E_RNA)
where:
Base-Base interactions energy: -300.653
where: short stacking energy: -125.562
Base-Backbone interact. energy: -0.485
local terms energy: -135.608141
where:
bonds (distance) C4'-P energy: -23.906
bonds (distance) P-C4' energy: -24.370
flat angles C4'-P-C4' energy: -25.909
flat angles P-C4'-P energy: -22.225
tors. eta vs tors. theta energy: -39.197
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: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -417.299394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.299394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.299394 (E_RNA)
where:
Base-Base interactions energy: -292.565
where: short stacking energy: -129.941
Base-Backbone interact. energy: -0.348
local terms energy: -124.386642
where:
bonds (distance) C4'-P energy: -27.121
bonds (distance) P-C4' energy: -22.923
flat angles C4'-P-C4' energy: -23.389
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -37.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -338.452976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.452976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.452976 (E_RNA)
where:
Base-Base interactions energy: -224.458
where: short stacking energy: -93.160
Base-Backbone interact. energy: -0.690
local terms energy: -113.304918
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -24.359
flat angles C4'-P-C4' energy: -27.533
flat angles P-C4'-P energy: -22.049
tors. eta vs tors. theta energy: -20.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -237.369334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.369334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.369334 (E_RNA)
where:
Base-Base interactions energy: -134.799
where: short stacking energy: -72.730
Base-Backbone interact. energy: -1.502
local terms energy: -101.067979
where:
bonds (distance) C4'-P energy: -22.943
bonds (distance) P-C4' energy: -24.121
flat angles C4'-P-C4' energy: -25.178
flat angles P-C4'-P energy: -20.909
tors. eta vs tors. theta energy: -7.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -214.657549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.657549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.657549 (E_RNA)
where:
Base-Base interactions energy: -115.938
where: short stacking energy: -69.160
Base-Backbone interact. energy: -0.157
local terms energy: -98.562705
where:
bonds (distance) C4'-P energy: -23.565
bonds (distance) P-C4' energy: -27.111
flat angles C4'-P-C4' energy: -19.496
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -14.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -538.268902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.268902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.268902 (E_RNA)
where:
Base-Base interactions energy: -373.863
where: short stacking energy: -164.552
Base-Backbone interact. energy: -0.007
local terms energy: -164.399014
where:
bonds (distance) C4'-P energy: -21.925
bonds (distance) P-C4' energy: -32.701
flat angles C4'-P-C4' energy: -34.057
flat angles P-C4'-P energy: -25.466
tors. eta vs tors. theta energy: -50.250
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: 2, replica: 10
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -534.600430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.600430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.600430 (E_RNA)
where:
Base-Base interactions energy: -379.784
where: short stacking energy: -155.015
Base-Backbone interact. energy: -0.443
local terms energy: -154.373089
where:
bonds (distance) C4'-P energy: -29.878
bonds (distance) P-C4' energy: -23.788
flat angles C4'-P-C4' energy: -31.737
flat angles P-C4'-P energy: -22.997
tors. eta vs tors. theta energy: -45.974
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: 5
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -507.313906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.313906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.313906 (E_RNA)
where:
Base-Base interactions energy: -356.663
where: short stacking energy: -151.120
Base-Backbone interact. energy: -0.283
local terms energy: -150.368265
where:
bonds (distance) C4'-P energy: -26.381
bonds (distance) P-C4' energy: -21.847
flat angles C4'-P-C4' energy: -31.475
flat angles P-C4'-P energy: -22.135
tors. eta vs tors. theta energy: -48.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -475.114826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.114826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.114826 (E_RNA)
where:
Base-Base interactions energy: -336.317
where: short stacking energy: -144.858
Base-Backbone interact. energy: -0.008
local terms energy: -138.789365
where:
bonds (distance) C4'-P energy: -26.389
bonds (distance) P-C4' energy: -19.440
flat angles C4'-P-C4' energy: -27.820
flat angles P-C4'-P energy: -22.579
tors. eta vs tors. theta energy: -42.561
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: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -440.254302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.254302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.254302 (E_RNA)
where:
Base-Base interactions energy: -313.692
where: short stacking energy: -131.482
Base-Backbone interact. energy: -0.944
local terms energy: -125.618374
where:
bonds (distance) C4'-P energy: -21.210
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -35.006
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -37.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -453.601317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.601317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.601317 (E_RNA)
where:
Base-Base interactions energy: -315.593
where: short stacking energy: -134.375
Base-Backbone interact. energy: -0.183
local terms energy: -137.825287
where:
bonds (distance) C4'-P energy: -27.816
bonds (distance) P-C4' energy: -25.383
flat angles C4'-P-C4' energy: -31.050
flat angles P-C4'-P energy: -17.752
tors. eta vs tors. theta energy: -35.824
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: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -408.699626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.699626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.699626 (E_RNA)
where:
Base-Base interactions energy: -286.199
where: short stacking energy: -132.013
Base-Backbone interact. energy: -2.003
local terms energy: -120.496925
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -23.392
flat angles C4'-P-C4' energy: -22.850
flat angles P-C4'-P energy: -23.489
tors. eta vs tors. theta energy: -37.026
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: 1
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -360.751129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.751129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.751129 (E_RNA)
where:
Base-Base interactions energy: -255.492
where: short stacking energy: -114.808
Base-Backbone interact. energy: -0.293
local terms energy: -104.966731
where:
bonds (distance) C4'-P energy: -23.466
bonds (distance) P-C4' energy: -25.161
flat angles C4'-P-C4' energy: -19.305
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -25.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -200.910982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.910982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.910982 (E_RNA)
where:
Base-Base interactions energy: -111.314
where: short stacking energy: -45.116
Base-Backbone interact. energy: -0.312
local terms energy: -89.284126
where:
bonds (distance) C4'-P energy: -29.957
bonds (distance) P-C4' energy: -24.575
flat angles C4'-P-C4' energy: -26.918
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: 0.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -207.590753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.590753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.590753 (E_RNA)
where:
Base-Base interactions energy: -107.830
where: short stacking energy: -67.616
Base-Backbone interact. energy: -0.101
local terms energy: -99.659079
where:
bonds (distance) C4'-P energy: -25.342
bonds (distance) P-C4' energy: -30.966
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -17.483
tors. eta vs tors. theta energy: -11.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -531.653396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.653396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.653396 (E_RNA)
where:
Base-Base interactions energy: -370.909
where: short stacking energy: -158.991
Base-Backbone interact. energy: -0.058
local terms energy: -160.686657
where:
bonds (distance) C4'-P energy: -27.237
bonds (distance) P-C4' energy: -28.398
flat angles C4'-P-C4' energy: -34.474
flat angles P-C4'-P energy: -24.447
tors. eta vs tors. theta energy: -46.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -517.475926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.475926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.475926 (E_RNA)
where:
Base-Base interactions energy: -361.140
where: short stacking energy: -147.515
Base-Backbone interact. energy: -0.064
local terms energy: -156.271518
where:
bonds (distance) C4'-P energy: -28.273
bonds (distance) P-C4' energy: -26.129
flat angles C4'-P-C4' energy: -31.532
flat angles P-C4'-P energy: -24.931
tors. eta vs tors. theta energy: -45.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -513.455189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.455189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.455189 (E_RNA)
where:
Base-Base interactions energy: -360.805
where: short stacking energy: -155.760
Base-Backbone interact. energy: -0.086
local terms energy: -152.564347
where:
bonds (distance) C4'-P energy: -28.782
bonds (distance) P-C4' energy: -27.561
flat angles C4'-P-C4' energy: -29.740
flat angles P-C4'-P energy: -17.968
tors. eta vs tors. theta energy: -48.514
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: 3
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -459.515105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.515105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.515105 (E_RNA)
where:
Base-Base interactions energy: -315.178
where: short stacking energy: -149.127
Base-Backbone interact. energy: -0.251
local terms energy: -144.085829
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -27.594
flat angles C4'-P-C4' energy: -29.851
flat angles P-C4'-P energy: -23.640
tors. eta vs tors. theta energy: -42.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -451.503227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.503227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.503227 (E_RNA)
where:
Base-Base interactions energy: -326.550
where: short stacking energy: -133.530
Base-Backbone interact. energy: -0.101
local terms energy: -124.852086
where:
bonds (distance) C4'-P energy: -25.584
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -23.679
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: -41.975
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: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -444.856796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.856796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.856796 (E_RNA)
where:
Base-Base interactions energy: -308.029
where: short stacking energy: -135.614
Base-Backbone interact. energy: -1.104
local terms energy: -135.723331
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -25.286
flat angles C4'-P-C4' energy: -28.172
flat angles P-C4'-P energy: -22.592
tors. eta vs tors. theta energy: -38.680
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: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -417.451020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.451020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.451020 (E_RNA)
where:
Base-Base interactions energy: -290.122
where: short stacking energy: -124.650
Base-Backbone interact. energy: -0.156
local terms energy: -127.172823
where:
bonds (distance) C4'-P energy: -24.785
bonds (distance) P-C4' energy: -24.392
flat angles C4'-P-C4' energy: -25.079
flat angles P-C4'-P energy: -17.875
tors. eta vs tors. theta energy: -35.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -349.982582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.982582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.982582 (E_RNA)
where:
Base-Base interactions energy: -241.730
where: short stacking energy: -99.293
Base-Backbone interact. energy: -0.179
local terms energy: -108.073751
where:
bonds (distance) C4'-P energy: -23.893
bonds (distance) P-C4' energy: -25.553
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -18.262
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: 9, replica: 4
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -223.286992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.286992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.286992 (E_RNA)
where:
Base-Base interactions energy: -131.554
where: short stacking energy: -63.154
Base-Backbone interact. energy: 0.640
local terms energy: -92.373124
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -29.679
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -11.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -187.357406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.357406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.357406 (E_RNA)
where:
Base-Base interactions energy: -98.183
where: short stacking energy: -49.513
Base-Backbone interact. energy: 0.816
local terms energy: -89.990228
where:
bonds (distance) C4'-P energy: -28.242
bonds (distance) P-C4' energy: -26.187
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -16.372
tors. eta vs tors. theta energy: -1.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -542.669212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.669212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.669212 (E_RNA)
where:
Base-Base interactions energy: -382.223
where: short stacking energy: -164.202
Base-Backbone interact. energy: -0.064
local terms energy: -160.382020
where:
bonds (distance) C4'-P energy: -26.539
bonds (distance) P-C4' energy: -27.114
flat angles C4'-P-C4' energy: -35.637
flat angles P-C4'-P energy: -21.462
tors. eta vs tors. theta energy: -49.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -523.734054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.734054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.734054 (E_RNA)
where:
Base-Base interactions energy: -367.383
where: short stacking energy: -143.817
Base-Backbone interact. energy: -0.531
local terms energy: -155.820430
where:
bonds (distance) C4'-P energy: -23.714
bonds (distance) P-C4' energy: -29.873
flat angles C4'-P-C4' energy: -33.996
flat angles P-C4'-P energy: -23.448
tors. eta vs tors. theta energy: -44.789
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: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -521.753179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.753179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.753179 (E_RNA)
where:
Base-Base interactions energy: -377.620
where: short stacking energy: -155.269
Base-Backbone interact. energy: 0.893
local terms energy: -145.026136
where:
bonds (distance) C4'-P energy: -28.275
bonds (distance) P-C4' energy: -23.837
flat angles C4'-P-C4' energy: -28.779
flat angles P-C4'-P energy: -18.312
tors. eta vs tors. theta energy: -45.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -468.173668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.173668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.173668 (E_RNA)
where:
Base-Base interactions energy: -324.973
where: short stacking energy: -142.999
Base-Backbone interact. energy: -1.114
local terms energy: -142.086762
where:
bonds (distance) C4'-P energy: -25.562
bonds (distance) P-C4' energy: -30.484
flat angles C4'-P-C4' energy: -24.617
flat angles P-C4'-P energy: -24.219
tors. eta vs tors. theta energy: -37.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -466.282917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.282917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.282917 (E_RNA)
where:
Base-Base interactions energy: -329.938
where: short stacking energy: -123.571
Base-Backbone interact. energy: -0.314
local terms energy: -136.031076
where:
bonds (distance) C4'-P energy: -32.676
bonds (distance) P-C4' energy: -28.271
flat angles C4'-P-C4' energy: -26.857
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -34.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -464.453107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.453107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.453107 (E_RNA)
where:
Base-Base interactions energy: -323.529
where: short stacking energy: -124.471
Base-Backbone interact. energy: 0.336
local terms energy: -141.259508
where:
bonds (distance) C4'-P energy: -31.327
bonds (distance) P-C4' energy: -28.786
flat angles C4'-P-C4' energy: -27.670
flat angles P-C4'-P energy: -18.628
tors. eta vs tors. theta energy: -34.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -391.526717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.526717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.526717 (E_RNA)
where:
Base-Base interactions energy: -267.467
where: short stacking energy: -117.238
Base-Backbone interact. energy: 0.072
local terms energy: -124.131489
where:
bonds (distance) C4'-P energy: -25.493
bonds (distance) P-C4' energy: -22.128
flat angles C4'-P-C4' energy: -31.922
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -28.868
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: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -390.180615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.180615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.180615 (E_RNA)
where:
Base-Base interactions energy: -263.026
where: short stacking energy: -119.116
Base-Backbone interact. energy: -0.119
local terms energy: -127.035245
where:
bonds (distance) C4'-P energy: -21.288
bonds (distance) P-C4' energy: -21.143
flat angles C4'-P-C4' energy: -30.890
flat angles P-C4'-P energy: -17.760
tors. eta vs tors. theta energy: -35.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -221.471953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.471953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.471953 (E_RNA)
where:
Base-Base interactions energy: -123.050
where: short stacking energy: -73.462
Base-Backbone interact. energy: -0.466
local terms energy: -97.955784
where:
bonds (distance) C4'-P energy: -21.316
bonds (distance) P-C4' energy: -22.290
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -15.194
tors. eta vs tors. theta energy: -22.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -199.639532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.639532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.639532 (E_RNA)
where:
Base-Base interactions energy: -119.475
where: short stacking energy: -58.793
Base-Backbone interact. energy: -0.612
local terms energy: -79.551790
where:
bonds (distance) C4'-P energy: -24.785
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -20.024
flat angles P-C4'-P energy: -9.602
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: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -536.253411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.253411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.253411 (E_RNA)
where:
Base-Base interactions energy: -383.343
where: short stacking energy: -154.608
Base-Backbone interact. energy: -0.915
local terms energy: -151.995318
where:
bonds (distance) C4'-P energy: -29.860
bonds (distance) P-C4' energy: -27.532
flat angles C4'-P-C4' energy: -33.131
flat angles P-C4'-P energy: -17.949
tors. eta vs tors. theta energy: -43.523
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: 5
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -511.169830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.169830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.169830 (E_RNA)
where:
Base-Base interactions energy: -354.848
where: short stacking energy: -140.343
Base-Backbone interact. energy: -0.066
local terms energy: -156.256426
where:
bonds (distance) C4'-P energy: -27.940
bonds (distance) P-C4' energy: -32.554
flat angles C4'-P-C4' energy: -28.503
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: -45.431
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: 10
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -520.547601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.547601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.547601 (E_RNA)
where:
Base-Base interactions energy: -370.370
where: short stacking energy: -150.192
Base-Backbone interact. energy: -0.788
local terms energy: -149.389572
where:
bonds (distance) C4'-P energy: -28.528
bonds (distance) P-C4' energy: -26.425
flat angles C4'-P-C4' energy: -28.196
flat angles P-C4'-P energy: -26.057
tors. eta vs tors. theta energy: -40.184
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: 3
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -476.859022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.859022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.859022 (E_RNA)
where:
Base-Base interactions energy: -331.199
where: short stacking energy: -143.899
Base-Backbone interact. energy: -0.059
local terms energy: -145.601002
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -28.282
flat angles C4'-P-C4' energy: -29.501
flat angles P-C4'-P energy: -23.261
tors. eta vs tors. theta energy: -41.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -457.390174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.390174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.390174 (E_RNA)
where:
Base-Base interactions energy: -334.021
where: short stacking energy: -132.401
Base-Backbone interact. energy: -0.101
local terms energy: -123.268091
where:
bonds (distance) C4'-P energy: -21.381
bonds (distance) P-C4' energy: -28.409
flat angles C4'-P-C4' energy: -26.672
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -36.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -485.238878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.238878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.238878 (E_RNA)
where:
Base-Base interactions energy: -353.469
where: short stacking energy: -152.296
Base-Backbone interact. energy: -0.810
local terms energy: -130.960354
where:
bonds (distance) C4'-P energy: -21.555
bonds (distance) P-C4' energy: -24.044
flat angles C4'-P-C4' energy: -29.835
flat angles P-C4'-P energy: -14.650
tors. eta vs tors. theta energy: -40.876
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: 305
Temperature: 1.200000
Total energy: -401.526162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.526162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.526162 (E_RNA)
where:
Base-Base interactions energy: -267.234
where: short stacking energy: -121.105
Base-Backbone interact. energy: -0.523
local terms energy: -133.769142
where:
bonds (distance) C4'-P energy: -27.346
bonds (distance) P-C4' energy: -30.306
flat angles C4'-P-C4' energy: -28.871
flat angles P-C4'-P energy: -15.743
tors. eta vs tors. theta energy: -31.503
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: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -404.493295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.493295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.493295 (E_RNA)
where:
Base-Base interactions energy: -283.729
where: short stacking energy: -125.353
Base-Backbone interact. energy: -0.108
local terms energy: -120.657138
where:
bonds (distance) C4'-P energy: -22.190
bonds (distance) P-C4' energy: -21.143
flat angles C4'-P-C4' energy: -26.077
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -35.926
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: 305
Temperature: 1.300000
Total energy: -220.034048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.034048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.034048 (E_RNA)
where:
Base-Base interactions energy: -126.535
where: short stacking energy: -66.584
Base-Backbone interact. energy: -2.220
local terms energy: -91.278713
where:
bonds (distance) C4'-P energy: -22.685
bonds (distance) P-C4' energy: -32.821
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -16.817
tors. eta vs tors. theta energy: -4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -189.495283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.495283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.495283 (E_RNA)
where:
Base-Base interactions energy: -99.044
where: short stacking energy: -56.807
Base-Backbone interact. energy: -0.150
local terms energy: -90.301178
where:
bonds (distance) C4'-P energy: -22.882
bonds (distance) P-C4' energy: -26.801
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -8.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -535.973535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.973535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.973535 (E_RNA)
where:
Base-Base interactions energy: -381.841
where: short stacking energy: -152.772
Base-Backbone interact. energy: 1.200
local terms energy: -155.332665
where:
bonds (distance) C4'-P energy: -28.164
bonds (distance) P-C4' energy: -29.465
flat angles C4'-P-C4' energy: -32.107
flat angles P-C4'-P energy: -20.253
tors. eta vs tors. theta energy: -45.344
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: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -518.878035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.878035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.878035 (E_RNA)
where:
Base-Base interactions energy: -373.286
where: short stacking energy: -158.844
Base-Backbone interact. energy: -0.376
local terms energy: -145.215333
where:
bonds (distance) C4'-P energy: -27.330
bonds (distance) P-C4' energy: -19.431
flat angles C4'-P-C4' energy: -31.764
flat angles P-C4'-P energy: -18.682
tors. eta vs tors. theta energy: -48.008
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: 3
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -482.407905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.407905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.407905 (E_RNA)
where:
Base-Base interactions energy: -331.655
where: short stacking energy: -145.900
Base-Backbone interact. energy: -0.896
local terms energy: -149.857169
where:
bonds (distance) C4'-P energy: -28.421
bonds (distance) P-C4' energy: -27.433
flat angles C4'-P-C4' energy: -28.949
flat angles P-C4'-P energy: -25.597
tors. eta vs tors. theta energy: -39.458
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: 10
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -510.898985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.898985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.898985 (E_RNA)
where:
Base-Base interactions energy: -364.755
where: short stacking energy: -135.558
Base-Backbone interact. energy: -0.451
local terms energy: -145.693589
where:
bonds (distance) C4'-P energy: -26.061
bonds (distance) P-C4' energy: -27.240
flat angles C4'-P-C4' energy: -27.171
flat angles P-C4'-P energy: -23.031
tors. eta vs tors. theta energy: -42.190
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: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -463.738416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.738416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.738416 (E_RNA)
where:
Base-Base interactions energy: -326.201
where: short stacking energy: -136.128
Base-Backbone interact. energy: 0.963
local terms energy: -138.500041
where:
bonds (distance) C4'-P energy: -23.900
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -27.218
flat angles P-C4'-P energy: -24.836
tors. eta vs tors. theta energy: -40.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -432.943120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.943120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.943120 (E_RNA)
where:
Base-Base interactions energy: -304.065
where: short stacking energy: -130.503
Base-Backbone interact. energy: -0.118
local terms energy: -128.760107
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -27.304
flat angles C4'-P-C4' energy: -23.929
flat angles P-C4'-P energy: -18.215
tors. eta vs tors. theta energy: -36.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -432.192977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.192977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.192977 (E_RNA)
where:
Base-Base interactions energy: -301.526
where: short stacking energy: -132.397
Base-Backbone interact. energy: 0.088
local terms energy: -130.754866
where:
bonds (distance) C4'-P energy: -23.708
bonds (distance) P-C4' energy: -21.211
flat angles C4'-P-C4' energy: -30.585
flat angles P-C4'-P energy: -20.054
tors. eta vs tors. theta energy: -35.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -391.492365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.492365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.492365 (E_RNA)
where:
Base-Base interactions energy: -269.984
where: short stacking energy: -120.864
Base-Backbone interact. energy: -0.127
local terms energy: -121.380514
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -21.051
flat angles C4'-P-C4' energy: -27.515
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -36.548
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: 4
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -244.083701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.083701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.083701 (E_RNA)
where:
Base-Base interactions energy: -149.852
where: short stacking energy: -58.577
Base-Backbone interact. energy: -0.490
local terms energy: -93.740830
where:
bonds (distance) C4'-P energy: -23.775
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -21.412
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -15.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -197.770512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.770512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.770512 (E_RNA)
where:
Base-Base interactions energy: -105.646
where: short stacking energy: -53.712
Base-Backbone interact. energy: 0.257
local terms energy: -92.381729
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -34.014
flat angles C4'-P-C4' energy: -23.833
flat angles P-C4'-P energy: -14.139
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: 1, replica: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -541.827918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.827918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.827918 (E_RNA)
where:
Base-Base interactions energy: -375.116
where: short stacking energy: -153.668
Base-Backbone interact. energy: -0.117
local terms energy: -166.594288
where:
bonds (distance) C4'-P energy: -34.473
bonds (distance) P-C4' energy: -25.977
flat angles C4'-P-C4' energy: -34.758
flat angles P-C4'-P energy: -24.605
tors. eta vs tors. theta energy: -46.781
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: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -511.644168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.644168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.644168 (E_RNA)
where:
Base-Base interactions energy: -364.260
where: short stacking energy: -160.633
Base-Backbone interact. energy: -0.049
local terms energy: -147.335602
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -28.010
flat angles C4'-P-C4' energy: -31.605
flat angles P-C4'-P energy: -21.809
tors. eta vs tors. theta energy: -48.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -485.651327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.651327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.651327 (E_RNA)
where:
Base-Base interactions energy: -334.190
where: short stacking energy: -146.863
Base-Backbone interact. energy: -0.091
local terms energy: -151.370561
where:
bonds (distance) C4'-P energy: -22.152
bonds (distance) P-C4' energy: -29.805
flat angles C4'-P-C4' energy: -33.174
flat angles P-C4'-P energy: -25.218
tors. eta vs tors. theta energy: -41.022
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: 10
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -502.766333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.766333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.766333 (E_RNA)
where:
Base-Base interactions energy: -357.594
where: short stacking energy: -140.809
Base-Backbone interact. energy: -0.130
local terms energy: -145.042597
where:
bonds (distance) C4'-P energy: -24.299
bonds (distance) P-C4' energy: -28.298
flat angles C4'-P-C4' energy: -27.913
flat angles P-C4'-P energy: -22.862
tors. eta vs tors. theta energy: -41.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -461.901090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.901090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.901090 (E_RNA)
where:
Base-Base interactions energy: -331.565
where: short stacking energy: -134.556
Base-Backbone interact. energy: -0.159
local terms energy: -130.176824
where:
bonds (distance) C4'-P energy: -21.619
bonds (distance) P-C4' energy: -24.126
flat angles C4'-P-C4' energy: -26.620
flat angles P-C4'-P energy: -23.425
tors. eta vs tors. theta energy: -34.386
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: 9
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -450.555106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.555106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.555106 (E_RNA)
where:
Base-Base interactions energy: -312.420
where: short stacking energy: -137.970
Base-Backbone interact. energy: -0.233
local terms energy: -137.901540
where:
bonds (distance) C4'-P energy: -26.036
bonds (distance) P-C4' energy: -22.957
flat angles C4'-P-C4' energy: -29.059
flat angles P-C4'-P energy: -22.655
tors. eta vs tors. theta energy: -37.194
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: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -416.354682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.354682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.354682 (E_RNA)
where:
Base-Base interactions energy: -284.070
where: short stacking energy: -133.372
Base-Backbone interact. energy: -0.933
local terms energy: -131.351201
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -25.510
flat angles C4'-P-C4' energy: -26.104
flat angles P-C4'-P energy: -21.042
tors. eta vs tors. theta energy: -43.395
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: 307
Temperature: 1.250000
Total energy: -363.918101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.918101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.918101 (E_RNA)
where:
Base-Base interactions energy: -242.043
where: short stacking energy: -107.554
Base-Backbone interact. energy: -0.988
local terms energy: -120.886905
where:
bonds (distance) C4'-P energy: -24.552
bonds (distance) P-C4' energy: -26.520
flat angles C4'-P-C4' energy: -24.711
flat angles P-C4'-P energy: -15.826
tors. eta vs tors. theta energy: -29.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -209.096490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.096490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.096490 (E_RNA)
where:
Base-Base interactions energy: -118.521
where: short stacking energy: -65.968
Base-Backbone interact. energy: -1.334
local terms energy: -89.241443
where:
bonds (distance) C4'-P energy: -23.747
bonds (distance) P-C4' energy: -25.438
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -9.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -242.799949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.799949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.799949 (E_RNA)
where:
Base-Base interactions energy: -140.360
where: short stacking energy: -67.061
Base-Backbone interact. energy: -0.397
local terms energy: -102.042655
where:
bonds (distance) C4'-P energy: -26.711
bonds (distance) P-C4' energy: -28.648
flat angles C4'-P-C4' energy: -19.427
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -12.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -524.137551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.137551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.137551 (E_RNA)
where:
Base-Base interactions energy: -374.295
where: short stacking energy: -154.045
Base-Backbone interact. energy: -0.016
local terms energy: -149.826257
where:
bonds (distance) C4'-P energy: -30.223
bonds (distance) P-C4' energy: -24.729
flat angles C4'-P-C4' energy: -28.994
flat angles P-C4'-P energy: -18.147
tors. eta vs tors. theta energy: -47.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -528.107610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.107610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.107610 (E_RNA)
where:
Base-Base interactions energy: -370.736
where: short stacking energy: -153.853
Base-Backbone interact. energy: -0.052
local terms energy: -157.319711
where:
bonds (distance) C4'-P energy: -24.636
bonds (distance) P-C4' energy: -32.916
flat angles C4'-P-C4' energy: -33.445
flat angles P-C4'-P energy: -23.022
tors. eta vs tors. theta energy: -43.301
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: 3, replica: 10
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -513.761139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.761139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.761139 (E_RNA)
where:
Base-Base interactions energy: -368.063
where: short stacking energy: -157.097
Base-Backbone interact. energy: -0.725
local terms energy: -144.973074
where:
bonds (distance) C4'-P energy: -25.021
bonds (distance) P-C4' energy: -25.241
flat angles C4'-P-C4' energy: -30.765
flat angles P-C4'-P energy: -19.661
tors. eta vs tors. theta energy: -44.284
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: 3
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -464.033256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.033256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.033256 (E_RNA)
where:
Base-Base interactions energy: -318.852
where: short stacking energy: -137.826
Base-Backbone interact. energy: -0.529
local terms energy: -144.652144
where:
bonds (distance) C4'-P energy: -23.967
bonds (distance) P-C4' energy: -33.019
flat angles C4'-P-C4' energy: -30.539
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -40.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -455.686675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.686675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.686675 (E_RNA)
where:
Base-Base interactions energy: -315.669
where: short stacking energy: -126.802
Base-Backbone interact. energy: -0.029
local terms energy: -139.988898
where:
bonds (distance) C4'-P energy: -26.036
bonds (distance) P-C4' energy: -30.327
flat angles C4'-P-C4' energy: -26.648
flat angles P-C4'-P energy: -17.287
tors. eta vs tors. theta energy: -39.690
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: 8
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -481.993858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.993858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.993858 (E_RNA)
where:
Base-Base interactions energy: -342.063
where: short stacking energy: -138.140
Base-Backbone interact. energy: -0.084
local terms energy: -139.846847
where:
bonds (distance) C4'-P energy: -23.661
bonds (distance) P-C4' energy: -23.860
flat angles C4'-P-C4' energy: -29.356
flat angles P-C4'-P energy: -20.212
tors. eta vs tors. theta energy: -42.758
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: 1
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -404.627044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.627044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.627044 (E_RNA)
where:
Base-Base interactions energy: -278.287
where: short stacking energy: -123.102
Base-Backbone interact. energy: -0.749
local terms energy: -125.590385
where:
bonds (distance) C4'-P energy: -24.041
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -30.021
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: -34.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -411.458248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.458248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.458248 (E_RNA)
where:
Base-Base interactions energy: -281.670
where: short stacking energy: -121.026
Base-Backbone interact. energy: -0.275
local terms energy: -129.512858
where:
bonds (distance) C4'-P energy: -23.049
bonds (distance) P-C4' energy: -30.971
flat angles C4'-P-C4' energy: -25.503
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -35.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -210.494376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.494376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.494376 (E_RNA)
where:
Base-Base interactions energy: -114.564
where: short stacking energy: -64.010
Base-Backbone interact. energy: -0.232
local terms energy: -95.697996
where:
bonds (distance) C4'-P energy: -20.215
bonds (distance) P-C4' energy: -26.383
flat angles C4'-P-C4' energy: -27.910
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -14.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -197.492221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.492221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.492221 (E_RNA)
where:
Base-Base interactions energy: -104.217
where: short stacking energy: -55.354
Base-Backbone interact. energy: 0.676
local terms energy: -93.950904
where:
bonds (distance) C4'-P energy: -18.400
bonds (distance) P-C4' energy: -30.440
flat angles C4'-P-C4' energy: -25.308
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -7.474
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: 5
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -523.806855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.806855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.806855 (E_RNA)
where:
Base-Base interactions energy: -375.330
where: short stacking energy: -162.159
Base-Backbone interact. energy: -0.321
local terms energy: -148.156010
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -31.562
flat angles C4'-P-C4' energy: -30.969
flat angles P-C4'-P energy: -21.648
tors. eta vs tors. theta energy: -45.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -527.709554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.709554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.709554 (E_RNA)
where:
Base-Base interactions energy: -380.741
where: short stacking energy: -158.413
Base-Backbone interact. energy: -0.907
local terms energy: -146.061448
where:
bonds (distance) C4'-P energy: -31.931
bonds (distance) P-C4' energy: -22.536
flat angles C4'-P-C4' energy: -25.889
flat angles P-C4'-P energy: -18.211
tors. eta vs tors. theta energy: -47.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -518.461444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.461444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.461444 (E_RNA)
where:
Base-Base interactions energy: -364.210
where: short stacking energy: -147.163
Base-Backbone interact. energy: -0.054
local terms energy: -154.197682
where:
bonds (distance) C4'-P energy: -23.853
bonds (distance) P-C4' energy: -30.821
flat angles C4'-P-C4' energy: -32.602
flat angles P-C4'-P energy: -21.605
tors. eta vs tors. theta energy: -45.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -467.494253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.494253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.494253 (E_RNA)
where:
Base-Base interactions energy: -325.530
where: short stacking energy: -135.124
Base-Backbone interact. energy: -0.008
local terms energy: -141.956005
where:
bonds (distance) C4'-P energy: -28.302
bonds (distance) P-C4' energy: -22.820
flat angles C4'-P-C4' energy: -32.484
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -41.316
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: 9
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -455.979248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.979248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.979248 (E_RNA)
where:
Base-Base interactions energy: -312.905
where: short stacking energy: -137.000
Base-Backbone interact. energy: -0.131
local terms energy: -142.943051
where:
bonds (distance) C4'-P energy: -28.205
bonds (distance) P-C4' energy: -29.426
flat angles C4'-P-C4' energy: -30.825
flat angles P-C4'-P energy: -17.485
tors. eta vs tors. theta energy: -37.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -486.999289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.999289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.999289 (E_RNA)
where:
Base-Base interactions energy: -358.062
where: short stacking energy: -137.066
Base-Backbone interact. energy: 0.655
local terms energy: -129.592181
where:
bonds (distance) C4'-P energy: -25.380
bonds (distance) P-C4' energy: -29.194
flat angles C4'-P-C4' energy: -24.352
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -37.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -382.437410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.437410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.437410 (E_RNA)
where:
Base-Base interactions energy: -270.779
where: short stacking energy: -126.701
Base-Backbone interact. energy: 2.639
local terms energy: -114.297724
where:
bonds (distance) C4'-P energy: -28.922
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -25.809
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -31.126
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: 309
Temperature: 1.250000
Total energy: -390.277435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.277435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.277435 (E_RNA)
where:
Base-Base interactions energy: -284.354
where: short stacking energy: -111.107
Base-Backbone interact. energy: -1.332
local terms energy: -104.592035
where:
bonds (distance) C4'-P energy: -20.269
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -22.374
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -29.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -224.386367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.386367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.386367 (E_RNA)
where:
Base-Base interactions energy: -137.886
where: short stacking energy: -79.753
Base-Backbone interact. energy: 1.100
local terms energy: -87.601250
where:
bonds (distance) C4'-P energy: -21.768
bonds (distance) P-C4' energy: -22.263
flat angles C4'-P-C4' energy: -20.001
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -11.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -218.865171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.865171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.865171 (E_RNA)
where:
Base-Base interactions energy: -132.269
where: short stacking energy: -50.709
Base-Backbone interact. energy: -1.016
local terms energy: -85.581128
where:
bonds (distance) C4'-P energy: -22.177
bonds (distance) P-C4' energy: -34.113
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -6.839
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: 1, replica: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -526.599918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.599918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.599918 (E_RNA)
where:
Base-Base interactions energy: -366.142
where: short stacking energy: -159.569
Base-Backbone interact. energy: 0.172
local terms energy: -160.629775
where:
bonds (distance) C4'-P energy: -31.107
bonds (distance) P-C4' energy: -25.153
flat angles C4'-P-C4' energy: -30.626
flat angles P-C4'-P energy: -24.633
tors. eta vs tors. theta energy: -49.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -533.248160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.248160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.248160 (E_RNA)
where:
Base-Base interactions energy: -375.876
where: short stacking energy: -152.436
Base-Backbone interact. energy: -0.024
local terms energy: -157.348136
where:
bonds (distance) C4'-P energy: -29.297
bonds (distance) P-C4' energy: -31.797
flat angles C4'-P-C4' energy: -25.829
flat angles P-C4'-P energy: -22.093
tors. eta vs tors. theta energy: -48.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -512.948621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.948621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.948621 (E_RNA)
where:
Base-Base interactions energy: -357.303
where: short stacking energy: -156.462
Base-Backbone interact. energy: -0.273
local terms energy: -155.371768
where:
bonds (distance) C4'-P energy: -23.309
bonds (distance) P-C4' energy: -26.333
flat angles C4'-P-C4' energy: -31.098
flat angles P-C4'-P energy: -25.129
tors. eta vs tors. theta energy: -49.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -462.670531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.670531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.670531 (E_RNA)
where:
Base-Base interactions energy: -312.415
where: short stacking energy: -140.686
Base-Backbone interact. energy: -0.038
local terms energy: -150.217699
where:
bonds (distance) C4'-P energy: -27.654
bonds (distance) P-C4' energy: -31.109
flat angles C4'-P-C4' energy: -24.498
flat angles P-C4'-P energy: -25.884
tors. eta vs tors. theta energy: -41.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -500.826713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.826713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.826713 (E_RNA)
where:
Base-Base interactions energy: -353.798
where: short stacking energy: -146.548
Base-Backbone interact. energy: -0.617
local terms energy: -146.411075
where:
bonds (distance) C4'-P energy: -26.814
bonds (distance) P-C4' energy: -19.966
flat angles C4'-P-C4' energy: -29.715
flat angles P-C4'-P energy: -24.314
tors. eta vs tors. theta energy: -45.602
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: 9
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -451.642442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.642442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.642442 (E_RNA)
where:
Base-Base interactions energy: -318.157
where: short stacking energy: -135.291
Base-Backbone interact. energy: 2.189
local terms energy: -135.674545
where:
bonds (distance) C4'-P energy: -24.513
bonds (distance) P-C4' energy: -26.890
flat angles C4'-P-C4' energy: -24.497
flat angles P-C4'-P energy: -19.083
tors. eta vs tors. theta energy: -40.692
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: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -402.385728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.385728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.385728 (E_RNA)
where:
Base-Base interactions energy: -285.823
where: short stacking energy: -132.024
Base-Backbone interact. energy: -0.786
local terms energy: -115.777057
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -29.207
flat angles P-C4'-P energy: -17.203
tors. eta vs tors. theta energy: -34.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -393.579865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.579865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.579865 (E_RNA)
where:
Base-Base interactions energy: -262.143
where: short stacking energy: -114.988
Base-Backbone interact. energy: 1.212
local terms energy: -132.649462
where:
bonds (distance) C4'-P energy: -28.888
bonds (distance) P-C4' energy: -21.988
flat angles C4'-P-C4' energy: -26.315
flat angles P-C4'-P energy: -20.872
tors. eta vs tors. theta energy: -34.586
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: 310
Temperature: 1.300000
Total energy: -218.955277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.955277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.955277 (E_RNA)
where:
Base-Base interactions energy: -121.199
where: short stacking energy: -64.644
Base-Backbone interact. energy: -0.214
local terms energy: -97.542294
where:
bonds (distance) C4'-P energy: -27.499
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -27.520
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -9.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -190.015455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.015455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.015455 (E_RNA)
where:
Base-Base interactions energy: -109.001
where: short stacking energy: -54.759
Base-Backbone interact. energy: -0.904
local terms energy: -80.111157
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -24.250
flat angles C4'-P-C4' energy: -23.834
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -517.871798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.871798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.871798 (E_RNA)
where:
Base-Base interactions energy: -362.184
where: short stacking energy: -147.961
Base-Backbone interact. energy: -0.138
local terms energy: -155.549422
where:
bonds (distance) C4'-P energy: -29.796
bonds (distance) P-C4' energy: -27.131
flat angles C4'-P-C4' energy: -33.085
flat angles P-C4'-P energy: -21.742
tors. eta vs tors. theta energy: -43.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -523.931520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.931520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.931520 (E_RNA)
where:
Base-Base interactions energy: -370.593
where: short stacking energy: -153.358
Base-Backbone interact. energy: -0.058
local terms energy: -153.280315
where:
bonds (distance) C4'-P energy: -27.242
bonds (distance) P-C4' energy: -28.130
flat angles C4'-P-C4' energy: -27.968
flat angles P-C4'-P energy: -23.254
tors. eta vs tors. theta energy: -46.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -517.063044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.063044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.063044 (E_RNA)
where:
Base-Base interactions energy: -358.684
where: short stacking energy: -158.252
Base-Backbone interact. energy: -0.201
local terms energy: -158.178693
where:
bonds (distance) C4'-P energy: -28.814
bonds (distance) P-C4' energy: -25.747
flat angles C4'-P-C4' energy: -32.636
flat angles P-C4'-P energy: -24.936
tors. eta vs tors. theta energy: -46.046
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: 4, replica: 8
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -510.177255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.177255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.177255 (E_RNA)
where:
Base-Base interactions energy: -359.901
where: short stacking energy: -148.935
Base-Backbone interact. energy: -0.017
local terms energy: -150.259321
where:
bonds (distance) C4'-P energy: -27.410
bonds (distance) P-C4' energy: -25.306
flat angles C4'-P-C4' energy: -30.643
flat angles P-C4'-P energy: -21.078
tors. eta vs tors. theta energy: -45.822
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: 3
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -448.960702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.960702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.960702 (E_RNA)
where:
Base-Base interactions energy: -304.538
where: short stacking energy: -137.394
Base-Backbone interact. energy: -0.309
local terms energy: -144.113357
where:
bonds (distance) C4'-P energy: -26.250
bonds (distance) P-C4' energy: -27.198
flat angles C4'-P-C4' energy: -31.078
flat angles P-C4'-P energy: -17.083
tors. eta vs tors. theta energy: -42.504
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: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -441.372041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.372041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.372041 (E_RNA)
where:
Base-Base interactions energy: -314.579
where: short stacking energy: -121.868
Base-Backbone interact. energy: 0.016
local terms energy: -126.808694
where:
bonds (distance) C4'-P energy: -24.186
bonds (distance) P-C4' energy: -26.082
flat angles C4'-P-C4' energy: -24.105
flat angles P-C4'-P energy: -20.735
tors. eta vs tors. theta energy: -31.701
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: 7, replica: 1
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -418.189369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.189369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.189369 (E_RNA)
where:
Base-Base interactions energy: -293.607
where: short stacking energy: -114.398
Base-Backbone interact. energy: -0.821
local terms energy: -123.760927
where:
bonds (distance) C4'-P energy: -26.413
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -26.929
flat angles P-C4'-P energy: -20.723
tors. eta vs tors. theta energy: -31.689
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: 6
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -416.742384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.742384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.742384 (E_RNA)
where:
Base-Base interactions energy: -287.725
where: short stacking energy: -128.115
Base-Backbone interact. energy: -0.347
local terms energy: -128.670110
where:
bonds (distance) C4'-P energy: -24.665
bonds (distance) P-C4' energy: -20.532
flat angles C4'-P-C4' energy: -27.356
flat angles P-C4'-P energy: -18.968
tors. eta vs tors. theta energy: -37.150
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: 311
Temperature: 1.300000
Total energy: -242.460835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.460835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.460835 (E_RNA)
where:
Base-Base interactions energy: -141.280
where: short stacking energy: -56.276
Base-Backbone interact. energy: -0.987
local terms energy: -100.193508
where:
bonds (distance) C4'-P energy: -24.162
bonds (distance) P-C4' energy: -23.393
flat angles C4'-P-C4' energy: -24.938
flat angles P-C4'-P energy: -17.053
tors. eta vs tors. theta energy: -10.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -198.754937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.754937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.754937 (E_RNA)
where:
Base-Base interactions energy: -114.979
where: short stacking energy: -44.334
Base-Backbone interact. energy: -0.352
local terms energy: -83.423994
where:
bonds (distance) C4'-P energy: -20.720
bonds (distance) P-C4' energy: -26.406
flat angles C4'-P-C4' energy: -24.110
flat angles P-C4'-P energy: -11.528
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: 2
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -528.723860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.723860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.723860 (E_RNA)
where:
Base-Base interactions energy: -370.929
where: short stacking energy: -145.006
Base-Backbone interact. energy: -1.036
local terms energy: -156.758687
where:
bonds (distance) C4'-P energy: -26.722
bonds (distance) P-C4' energy: -28.040
flat angles C4'-P-C4' energy: -34.838
flat angles P-C4'-P energy: -22.777
tors. eta vs tors. theta energy: -44.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -516.751908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.751908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.751908 (E_RNA)
where:
Base-Base interactions energy: -372.065
where: short stacking energy: -141.580
Base-Backbone interact. energy: -0.860
local terms energy: -143.826535
where:
bonds (distance) C4'-P energy: -26.392
bonds (distance) P-C4' energy: -21.127
flat angles C4'-P-C4' energy: -30.511
flat angles P-C4'-P energy: -17.602
tors. eta vs tors. theta energy: -48.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -522.637126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.637126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.637126 (E_RNA)
where:
Base-Base interactions energy: -368.856
where: short stacking energy: -149.233
Base-Backbone interact. energy: -0.141
local terms energy: -153.640058
where:
bonds (distance) C4'-P energy: -23.233
bonds (distance) P-C4' energy: -31.798
flat angles C4'-P-C4' energy: -26.995
flat angles P-C4'-P energy: -26.273
tors. eta vs tors. theta energy: -45.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -525.348212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.348212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.348212 (E_RNA)
where:
Base-Base interactions energy: -363.045
where: short stacking energy: -154.786
Base-Backbone interact. energy: -0.589
local terms energy: -161.714273
where:
bonds (distance) C4'-P energy: -22.492
bonds (distance) P-C4' energy: -27.993
flat angles C4'-P-C4' energy: -33.851
flat angles P-C4'-P energy: -28.410
tors. eta vs tors. theta energy: -48.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -460.995690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.995690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.995690 (E_RNA)
where:
Base-Base interactions energy: -312.020
where: short stacking energy: -131.788
Base-Backbone interact. energy: -0.351
local terms energy: -148.624140
where:
bonds (distance) C4'-P energy: -29.006
bonds (distance) P-C4' energy: -32.940
flat angles C4'-P-C4' energy: -31.040
flat angles P-C4'-P energy: -16.225
tors. eta vs tors. theta energy: -39.413
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: 312
Temperature: 1.150000
Total energy: -419.833090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.833090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.833090 (E_RNA)
where:
Base-Base interactions energy: -286.515
where: short stacking energy: -131.681
Base-Backbone interact. energy: -0.093
local terms energy: -133.224277
where:
bonds (distance) C4'-P energy: -23.632
bonds (distance) P-C4' energy: -20.841
flat angles C4'-P-C4' energy: -26.632
flat angles P-C4'-P energy: -22.537
tors. eta vs tors. theta energy: -39.583
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: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -425.148125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.148125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.148125 (E_RNA)
where:
Base-Base interactions energy: -294.610
where: short stacking energy: -129.191
Base-Backbone interact. energy: -0.213
local terms energy: -130.324877
where:
bonds (distance) C4'-P energy: -24.612
bonds (distance) P-C4' energy: -23.490
flat angles C4'-P-C4' energy: -25.777
flat angles P-C4'-P energy: -16.638
tors. eta vs tors. theta energy: -39.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -383.042448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.042448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.042448 (E_RNA)
where:
Base-Base interactions energy: -265.468
where: short stacking energy: -113.114
Base-Backbone interact. energy: 0.762
local terms energy: -118.336759
where:
bonds (distance) C4'-P energy: -26.494
bonds (distance) P-C4' energy: -25.940
flat angles C4'-P-C4' energy: -21.951
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -32.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -202.376942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.376942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.376942 (E_RNA)
where:
Base-Base interactions energy: -113.466
where: short stacking energy: -75.679
Base-Backbone interact. energy: -1.104
local terms energy: -87.807547
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -18.420
flat angles P-C4'-P energy: -16.652
tors. eta vs tors. theta energy: -16.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -207.411270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.411270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.411270 (E_RNA)
where:
Base-Base interactions energy: -104.897
where: short stacking energy: -50.893
Base-Backbone interact. energy: -0.662
local terms energy: -101.852403
where:
bonds (distance) C4'-P energy: -33.012
bonds (distance) P-C4' energy: -24.932
flat angles C4'-P-C4' energy: -22.693
flat angles P-C4'-P energy: -15.941
tors. eta vs tors. theta energy: -5.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -533.646859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.646859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.646859 (E_RNA)
where:
Base-Base interactions energy: -370.622
where: short stacking energy: -153.143
Base-Backbone interact. energy: -0.042
local terms energy: -162.982863
where:
bonds (distance) C4'-P energy: -28.003
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -32.920
flat angles P-C4'-P energy: -27.187
tors. eta vs tors. theta energy: -43.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -536.379828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.379828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.379828 (E_RNA)
where:
Base-Base interactions energy: -375.199
where: short stacking energy: -157.258
Base-Backbone interact. energy: -0.293
local terms energy: -160.887641
where:
bonds (distance) C4'-P energy: -28.922
bonds (distance) P-C4' energy: -30.552
flat angles C4'-P-C4' energy: -32.274
flat angles P-C4'-P energy: -22.448
tors. eta vs tors. theta energy: -46.691
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: 313
Temperature: 1.000000
Total energy: -516.907000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.907000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.907000 (E_RNA)
where:
Base-Base interactions energy: -364.901
where: short stacking energy: -148.507
Base-Backbone interact. energy: 1.397
local terms energy: -153.402355
where:
bonds (distance) C4'-P energy: -31.092
bonds (distance) P-C4' energy: -26.527
flat angles C4'-P-C4' energy: -30.846
flat angles P-C4'-P energy: -19.650
tors. eta vs tors. theta energy: -45.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -507.602021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.602021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.602021 (E_RNA)
where:
Base-Base interactions energy: -364.490
where: short stacking energy: -152.104
Base-Backbone interact. energy: -0.006
local terms energy: -143.106530
where:
bonds (distance) C4'-P energy: -23.823
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -31.871
flat angles P-C4'-P energy: -23.960
tors. eta vs tors. theta energy: -41.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -461.740841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.740841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.740841 (E_RNA)
where:
Base-Base interactions energy: -314.891
where: short stacking energy: -133.979
Base-Backbone interact. energy: -0.082
local terms energy: -146.767951
where:
bonds (distance) C4'-P energy: -26.142
bonds (distance) P-C4' energy: -31.672
flat angles C4'-P-C4' energy: -28.372
flat angles P-C4'-P energy: -21.535
tors. eta vs tors. theta energy: -39.047
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: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -411.954464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.954464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.954464 (E_RNA)
where:
Base-Base interactions energy: -280.813
where: short stacking energy: -126.695
Base-Backbone interact. energy: -0.337
local terms energy: -130.803767
where:
bonds (distance) C4'-P energy: -23.409
bonds (distance) P-C4' energy: -27.419
flat angles C4'-P-C4' energy: -28.771
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: -35.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -422.503595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.503595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.503595 (E_RNA)
where:
Base-Base interactions energy: -295.949
where: short stacking energy: -122.700
Base-Backbone interact. energy: -0.459
local terms energy: -126.095640
where:
bonds (distance) C4'-P energy: -25.804
bonds (distance) P-C4' energy: -23.129
flat angles C4'-P-C4' energy: -24.314
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -39.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -376.306337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.306337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.306337 (E_RNA)
where:
Base-Base interactions energy: -264.063
where: short stacking energy: -112.594
Base-Backbone interact. energy: -1.057
local terms energy: -111.185472
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -23.142
flat angles C4'-P-C4' energy: -28.396
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -29.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -206.056868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.056868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.056868 (E_RNA)
where:
Base-Base interactions energy: -110.690
where: short stacking energy: -48.652
Base-Backbone interact. energy: -0.957
local terms energy: -94.410067
where:
bonds (distance) C4'-P energy: -24.109
bonds (distance) P-C4' energy: -30.552
flat angles C4'-P-C4' energy: -24.625
flat angles P-C4'-P energy: -15.230
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: 10, replica: 4
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -188.897598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.897598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.897598 (E_RNA)
where:
Base-Base interactions energy: -100.051
where: short stacking energy: -61.196
Base-Backbone interact. energy: -0.241
local terms energy: -88.605842
where:
bonds (distance) C4'-P energy: -24.115
bonds (distance) P-C4' energy: -29.907
flat angles C4'-P-C4' energy: -19.835
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -3.852
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: 8
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -542.785341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.785341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.785341 (E_RNA)
where:
Base-Base interactions energy: -381.161
where: short stacking energy: -160.771
Base-Backbone interact. energy: -0.006
local terms energy: -161.618215
where:
bonds (distance) C4'-P energy: -31.121
bonds (distance) P-C4' energy: -31.239
flat angles C4'-P-C4' energy: -32.804
flat angles P-C4'-P energy: -24.479
tors. eta vs tors. theta energy: -41.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -521.115019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.115019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.115019 (E_RNA)
where:
Base-Base interactions energy: -370.353
where: short stacking energy: -148.332
Base-Backbone interact. energy: -0.455
local terms energy: -150.307114
where:
bonds (distance) C4'-P energy: -21.995
bonds (distance) P-C4' energy: -27.924
flat angles C4'-P-C4' energy: -29.071
flat angles P-C4'-P energy: -25.771
tors. eta vs tors. theta energy: -45.546
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: 3, replica: 10
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -528.946036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.946036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.946036 (E_RNA)
where:
Base-Base interactions energy: -367.001
where: short stacking energy: -154.614
Base-Backbone interact. energy: -0.106
local terms energy: -161.838986
where:
bonds (distance) C4'-P energy: -28.164
bonds (distance) P-C4' energy: -30.953
flat angles C4'-P-C4' energy: -33.176
flat angles P-C4'-P energy: -25.029
tors. eta vs tors. theta energy: -44.516
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: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -503.244261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.244261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.244261 (E_RNA)
where:
Base-Base interactions energy: -361.570
where: short stacking energy: -155.571
Base-Backbone interact. energy: -0.348
local terms energy: -141.326984
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -27.598
flat angles C4'-P-C4' energy: -29.620
flat angles P-C4'-P energy: -21.939
tors. eta vs tors. theta energy: -44.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -474.753232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.753232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.753232 (E_RNA)
where:
Base-Base interactions energy: -331.334
where: short stacking energy: -139.899
Base-Backbone interact. energy: -0.013
local terms energy: -143.406298
where:
bonds (distance) C4'-P energy: -29.365
bonds (distance) P-C4' energy: -24.860
flat angles C4'-P-C4' energy: -30.485
flat angles P-C4'-P energy: -16.564
tors. eta vs tors. theta energy: -42.132
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: 314
Temperature: 1.150000
Total energy: -414.515358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.515358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.515358 (E_RNA)
where:
Base-Base interactions energy: -285.843
where: short stacking energy: -139.359
Base-Backbone interact. energy: 0.717
local terms energy: -129.389415
where:
bonds (distance) C4'-P energy: -20.782
bonds (distance) P-C4' energy: -20.405
flat angles C4'-P-C4' energy: -30.264
flat angles P-C4'-P energy: -18.697
tors. eta vs tors. theta energy: -39.242
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: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -400.901997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.901997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.901997 (E_RNA)
where:
Base-Base interactions energy: -277.649
where: short stacking energy: -109.536
Base-Backbone interact. energy: 2.704
local terms energy: -125.957176
where:
bonds (distance) C4'-P energy: -20.663
bonds (distance) P-C4' energy: -27.996
flat angles C4'-P-C4' energy: -31.335
flat angles P-C4'-P energy: -20.466
tors. eta vs tors. theta energy: -25.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -366.301613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.301613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.301613 (E_RNA)
where:
Base-Base interactions energy: -244.973
where: short stacking energy: -97.557
Base-Backbone interact. energy: -1.110
local terms energy: -120.218225
where:
bonds (distance) C4'-P energy: -24.051
bonds (distance) P-C4' energy: -28.525
flat angles C4'-P-C4' energy: -27.327
flat angles P-C4'-P energy: -20.364
tors. eta vs tors. theta energy: -19.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -219.723980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.723980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.723980 (E_RNA)
where:
Base-Base interactions energy: -105.697
where: short stacking energy: -62.520
Base-Backbone interact. energy: -0.226
local terms energy: -113.801002
where:
bonds (distance) C4'-P energy: -26.697
bonds (distance) P-C4' energy: -30.463
flat angles C4'-P-C4' energy: -21.472
flat angles P-C4'-P energy: -16.498
tors. eta vs tors. theta energy: -18.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -202.067127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.067127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.067127 (E_RNA)
where:
Base-Base interactions energy: -109.453
where: short stacking energy: -74.425
Base-Backbone interact. energy: -0.234
local terms energy: -92.380497
where:
bonds (distance) C4'-P energy: -19.629
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -24.689
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: -17.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -540.662703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.662703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.662703 (E_RNA)
where:
Base-Base interactions energy: -372.080
where: short stacking energy: -156.119
Base-Backbone interact. energy: 0.430
local terms energy: -169.012229
where:
bonds (distance) C4'-P energy: -29.004
bonds (distance) P-C4' energy: -30.974
flat angles C4'-P-C4' energy: -35.649
flat angles P-C4'-P energy: -26.302
tors. eta vs tors. theta energy: -47.084
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: 10
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -525.248836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.248836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.248836 (E_RNA)
where:
Base-Base interactions energy: -373.089
where: short stacking energy: -153.149
Base-Backbone interact. energy: -0.133
local terms energy: -152.027276
where:
bonds (distance) C4'-P energy: -27.369
bonds (distance) P-C4' energy: -26.630
flat angles C4'-P-C4' energy: -34.418
flat angles P-C4'-P energy: -23.195
tors. eta vs tors. theta energy: -40.416
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: 2
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -515.560268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.560268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.560268 (E_RNA)
where:
Base-Base interactions energy: -362.685
where: short stacking energy: -157.360
Base-Backbone interact. energy: -0.284
local terms energy: -152.591237
where:
bonds (distance) C4'-P energy: -29.630
bonds (distance) P-C4' energy: -25.915
flat angles C4'-P-C4' energy: -31.598
flat angles P-C4'-P energy: -16.971
tors. eta vs tors. theta energy: -48.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -487.627828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.627828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.627828 (E_RNA)
where:
Base-Base interactions energy: -344.377
where: short stacking energy: -147.551
Base-Backbone interact. energy: -0.034
local terms energy: -143.217622
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -28.127
flat angles C4'-P-C4' energy: -28.058
flat angles P-C4'-P energy: -18.921
tors. eta vs tors. theta energy: -49.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -465.828965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.828965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.828965 (E_RNA)
where:
Base-Base interactions energy: -344.789
where: short stacking energy: -140.551
Base-Backbone interact. energy: -0.433
local terms energy: -120.607089
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -27.012
flat angles C4'-P-C4' energy: -26.520
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -37.294
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: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -419.859307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.859307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.859307 (E_RNA)
where:
Base-Base interactions energy: -294.881
where: short stacking energy: -125.322
Base-Backbone interact. energy: -0.352
local terms energy: -124.625793
where:
bonds (distance) C4'-P energy: -21.806
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -24.455
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: -39.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -429.518361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.518361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.518361 (E_RNA)
where:
Base-Base interactions energy: -286.028
where: short stacking energy: -133.974
Base-Backbone interact. energy: -0.030
local terms energy: -143.460576
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -27.115
flat angles C4'-P-C4' energy: -31.912
flat angles P-C4'-P energy: -19.984
tors. eta vs tors. theta energy: -43.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -364.730731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.730731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.730731 (E_RNA)
where:
Base-Base interactions energy: -248.358
where: short stacking energy: -104.839
Base-Backbone interact. energy: -1.088
local terms energy: -115.284136
where:
bonds (distance) C4'-P energy: -20.710
bonds (distance) P-C4' energy: -26.422
flat angles C4'-P-C4' energy: -25.306
flat angles P-C4'-P energy: -18.932
tors. eta vs tors. theta energy: -23.915
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: 9, replica: 4
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -204.428715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.428715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.428715 (E_RNA)
where:
Base-Base interactions energy: -111.031
where: short stacking energy: -56.895
Base-Backbone interact. energy: -0.102
local terms energy: -93.295371
where:
bonds (distance) C4'-P energy: -26.868
bonds (distance) P-C4' energy: -28.270
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -4.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -210.117824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.117824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.117824 (E_RNA)
where:
Base-Base interactions energy: -116.932
where: short stacking energy: -60.723
Base-Backbone interact. energy: -0.396
local terms energy: -92.790137
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -27.895
flat angles P-C4'-P energy: -19.717
tors. eta vs tors. theta energy: -7.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -541.746050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.746050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.746050 (E_RNA)
where:
Base-Base interactions energy: -389.024
where: short stacking energy: -154.534
Base-Backbone interact. energy: -0.354
local terms energy: -152.367669
where:
bonds (distance) C4'-P energy: -28.757
bonds (distance) P-C4' energy: -28.245
flat angles C4'-P-C4' energy: -24.063
flat angles P-C4'-P energy: -24.087
tors. eta vs tors. theta energy: -47.214
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: 10
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -526.720718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.720718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.720718 (E_RNA)
where:
Base-Base interactions energy: -370.118
where: short stacking energy: -158.309
Base-Backbone interact. energy: -0.119
local terms energy: -156.483641
where:
bonds (distance) C4'-P energy: -30.092
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -31.896
flat angles P-C4'-P energy: -23.739
tors. eta vs tors. theta energy: -46.733
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: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -499.609212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.609212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.609212 (E_RNA)
where:
Base-Base interactions energy: -346.496
where: short stacking energy: -148.528
Base-Backbone interact. energy: -1.193
local terms energy: -151.919987
where:
bonds (distance) C4'-P energy: -30.721
bonds (distance) P-C4' energy: -24.685
flat angles C4'-P-C4' energy: -32.675
flat angles P-C4'-P energy: -18.739
tors. eta vs tors. theta energy: -45.099
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: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -524.785295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.785295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.785295 (E_RNA)
where:
Base-Base interactions energy: -375.488
where: short stacking energy: -162.977
Base-Backbone interact. energy: -0.489
local terms energy: -148.808321
where:
bonds (distance) C4'-P energy: -22.920
bonds (distance) P-C4' energy: -27.456
flat angles C4'-P-C4' energy: -32.293
flat angles P-C4'-P energy: -19.765
tors. eta vs tors. theta energy: -46.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -438.306919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.306919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.306919 (E_RNA)
where:
Base-Base interactions energy: -310.018
where: short stacking energy: -130.370
Base-Backbone interact. energy: -0.145
local terms energy: -128.144383
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -24.411
flat angles C4'-P-C4' energy: -29.203
flat angles P-C4'-P energy: -15.967
tors. eta vs tors. theta energy: -41.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -454.756503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.756503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.756503 (E_RNA)
where:
Base-Base interactions energy: -320.273
where: short stacking energy: -145.526
Base-Backbone interact. energy: 1.493
local terms energy: -135.977073
where:
bonds (distance) C4'-P energy: -26.426
bonds (distance) P-C4' energy: -18.603
flat angles C4'-P-C4' energy: -30.492
flat angles P-C4'-P energy: -20.376
tors. eta vs tors. theta energy: -40.079
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: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -418.025452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.025452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.025452 (E_RNA)
where:
Base-Base interactions energy: -277.612
where: short stacking energy: -121.033
Base-Backbone interact. energy: -1.626
local terms energy: -138.787849
where:
bonds (distance) C4'-P energy: -25.176
bonds (distance) P-C4' energy: -31.867
flat angles C4'-P-C4' energy: -28.829
flat angles P-C4'-P energy: -20.668
tors. eta vs tors. theta energy: -32.247
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: 1
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -390.720565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.720565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.720565 (E_RNA)
where:
Base-Base interactions energy: -260.304
where: short stacking energy: -105.011
Base-Backbone interact. energy: -0.129
local terms energy: -130.287399
where:
bonds (distance) C4'-P energy: -24.844
bonds (distance) P-C4' energy: -30.388
flat angles C4'-P-C4' energy: -24.774
flat angles P-C4'-P energy: -20.663
tors. eta vs tors. theta energy: -29.618
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: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -208.635106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.635106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.635106 (E_RNA)
where:
Base-Base interactions energy: -115.842
where: short stacking energy: -61.580
Base-Backbone interact. energy: -0.815
local terms energy: -91.978546
where:
bonds (distance) C4'-P energy: -24.356
bonds (distance) P-C4' energy: -26.680
flat angles C4'-P-C4' energy: -24.539
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -2.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -207.096332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.096332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.096332 (E_RNA)
where:
Base-Base interactions energy: -107.680
where: short stacking energy: -57.638
Base-Backbone interact. energy: -0.227
local terms energy: -99.189246
where:
bonds (distance) C4'-P energy: -30.026
bonds (distance) P-C4' energy: -25.919
flat angles C4'-P-C4' energy: -20.984
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -7.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -527.580400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.580400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.580400 (E_RNA)
where:
Base-Base interactions energy: -364.203
where: short stacking energy: -154.420
Base-Backbone interact. energy: 0.044
local terms energy: -163.421335
where:
bonds (distance) C4'-P energy: -30.047
bonds (distance) P-C4' energy: -30.336
flat angles C4'-P-C4' energy: -30.024
flat angles P-C4'-P energy: -22.986
tors. eta vs tors. theta energy: -50.028
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: 10
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -525.136116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.136116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.136116 (E_RNA)
where:
Base-Base interactions energy: -372.783
where: short stacking energy: -154.501
Base-Backbone interact. energy: -0.594
local terms energy: -151.759495
where:
bonds (distance) C4'-P energy: -26.319
bonds (distance) P-C4' energy: -25.526
flat angles C4'-P-C4' energy: -29.306
flat angles P-C4'-P energy: -23.249
tors. eta vs tors. theta energy: -47.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -514.033395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.033395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.033395 (E_RNA)
where:
Base-Base interactions energy: -364.971
where: short stacking energy: -148.100
Base-Backbone interact. energy: -0.600
local terms energy: -148.462069
where:
bonds (distance) C4'-P energy: -26.450
bonds (distance) P-C4' energy: -24.083
flat angles C4'-P-C4' energy: -30.562
flat angles P-C4'-P energy: -21.491
tors. eta vs tors. theta energy: -45.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -507.787302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.787302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.787302 (E_RNA)
where:
Base-Base interactions energy: -365.540
where: short stacking energy: -146.537
Base-Backbone interact. energy: -0.070
local terms energy: -142.176883
where:
bonds (distance) C4'-P energy: -24.885
bonds (distance) P-C4' energy: -23.897
flat angles C4'-P-C4' energy: -32.870
flat angles P-C4'-P energy: -19.226
tors. eta vs tors. theta energy: -41.299
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: 3
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -448.937171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.937171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.937171 (E_RNA)
where:
Base-Base interactions energy: -310.096
where: short stacking energy: -135.322
Base-Backbone interact. energy: -0.545
local terms energy: -138.295741
where:
bonds (distance) C4'-P energy: -29.776
bonds (distance) P-C4' energy: -26.105
flat angles C4'-P-C4' energy: -26.779
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: -39.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -454.126196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.126196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.126196 (E_RNA)
where:
Base-Base interactions energy: -325.036
where: short stacking energy: -134.436
Base-Backbone interact. energy: -0.020
local terms energy: -129.069525
where:
bonds (distance) C4'-P energy: -24.790
bonds (distance) P-C4' energy: -26.076
flat angles C4'-P-C4' energy: -23.450
flat angles P-C4'-P energy: -17.433
tors. eta vs tors. theta energy: -37.320
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: 317
Temperature: 1.200000
Total energy: -406.413669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.413669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.413669 (E_RNA)
where:
Base-Base interactions energy: -284.866
where: short stacking energy: -119.838
Base-Backbone interact. energy: 0.791
local terms energy: -122.338483
where:
bonds (distance) C4'-P energy: -21.314
bonds (distance) P-C4' energy: -27.229
flat angles C4'-P-C4' energy: -25.202
flat angles P-C4'-P energy: -17.029
tors. eta vs tors. theta energy: -31.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -402.538701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.538701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.538701 (E_RNA)
where:
Base-Base interactions energy: -278.885
where: short stacking energy: -120.642
Base-Backbone interact. energy: -0.069
local terms energy: -123.584728
where:
bonds (distance) C4'-P energy: -21.686
bonds (distance) P-C4' energy: -20.311
flat angles C4'-P-C4' energy: -34.164
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -34.112
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: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -208.212342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.212342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.212342 (E_RNA)
where:
Base-Base interactions energy: -123.560
where: short stacking energy: -74.509
Base-Backbone interact. energy: 0.260
local terms energy: -84.912043
where:
bonds (distance) C4'-P energy: -22.592
bonds (distance) P-C4' energy: -25.308
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: -6.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -193.738494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.738494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.738494 (E_RNA)
where:
Base-Base interactions energy: -108.140
where: short stacking energy: -55.182
Base-Backbone interact. energy: 0.928
local terms energy: -86.526164
where:
bonds (distance) C4'-P energy: -22.584
bonds (distance) P-C4' energy: -30.829
flat angles C4'-P-C4' energy: -21.209
flat angles P-C4'-P energy: -7.882
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: 10
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -535.742030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.742030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.742030 (E_RNA)
where:
Base-Base interactions energy: -379.454
where: short stacking energy: -156.816
Base-Backbone interact. energy: -0.596
local terms energy: -155.692784
where:
bonds (distance) C4'-P energy: -25.324
bonds (distance) P-C4' energy: -29.522
flat angles C4'-P-C4' energy: -31.866
flat angles P-C4'-P energy: -20.722
tors. eta vs tors. theta energy: -48.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -529.379630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.379630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.379630 (E_RNA)
where:
Base-Base interactions energy: -383.600
where: short stacking energy: -149.026
Base-Backbone interact. energy: -1.025
local terms energy: -144.754058
where:
bonds (distance) C4'-P energy: -28.483
bonds (distance) P-C4' energy: -26.526
flat angles C4'-P-C4' energy: -27.751
flat angles P-C4'-P energy: -16.074
tors. eta vs tors. theta energy: -45.922
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: 318
Temperature: 1.000000
Total energy: -511.785409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.785409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.785409 (E_RNA)
where:
Base-Base interactions energy: -374.561
where: short stacking energy: -148.701
Base-Backbone interact. energy: -0.119
local terms energy: -137.104473
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -25.125
flat angles C4'-P-C4' energy: -24.783
flat angles P-C4'-P energy: -23.556
tors. eta vs tors. theta energy: -44.464
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: 5
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -498.581883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.581883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.581883 (E_RNA)
where:
Base-Base interactions energy: -349.449
where: short stacking energy: -145.544
Base-Backbone interact. energy: -0.023
local terms energy: -149.109764
where:
bonds (distance) C4'-P energy: -21.749
bonds (distance) P-C4' energy: -25.073
flat angles C4'-P-C4' energy: -33.679
flat angles P-C4'-P energy: -24.121
tors. eta vs tors. theta energy: -44.487
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: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -461.490488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.490488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.490488 (E_RNA)
where:
Base-Base interactions energy: -323.573
where: short stacking energy: -143.371
Base-Backbone interact. energy: -0.307
local terms energy: -137.610477
where:
bonds (distance) C4'-P energy: -23.910
bonds (distance) P-C4' energy: -29.802
flat angles C4'-P-C4' energy: -31.218
flat angles P-C4'-P energy: -19.971
tors. eta vs tors. theta energy: -32.709
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: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -445.607535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.607535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.607535 (E_RNA)
where:
Base-Base interactions energy: -304.544
where: short stacking energy: -138.614
Base-Backbone interact. energy: -0.709
local terms energy: -140.354753
where:
bonds (distance) C4'-P energy: -29.667
bonds (distance) P-C4' energy: -20.297
flat angles C4'-P-C4' energy: -31.925
flat angles P-C4'-P energy: -17.605
tors. eta vs tors. theta energy: -40.860
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: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -428.441129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.441129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.441129 (E_RNA)
where:
Base-Base interactions energy: -297.896
where: short stacking energy: -126.041
Base-Backbone interact. energy: 1.145
local terms energy: -131.690103
where:
bonds (distance) C4'-P energy: -22.840
bonds (distance) P-C4' energy: -24.347
flat angles C4'-P-C4' energy: -32.869
flat angles P-C4'-P energy: -20.848
tors. eta vs tors. theta energy: -30.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -381.183349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.183349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.183349 (E_RNA)
where:
Base-Base interactions energy: -253.888
where: short stacking energy: -109.634
Base-Backbone interact. energy: -0.780
local terms energy: -126.515045
where:
bonds (distance) C4'-P energy: -24.200
bonds (distance) P-C4' energy: -29.287
flat angles C4'-P-C4' energy: -28.305
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -32.288
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: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -203.396055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.396055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.396055 (E_RNA)
where:
Base-Base interactions energy: -109.527
where: short stacking energy: -53.280
Base-Backbone interact. energy: -1.221
local terms energy: -92.647847
where:
bonds (distance) C4'-P energy: -22.675
bonds (distance) P-C4' energy: -21.963
flat angles C4'-P-C4' energy: -31.562
flat angles P-C4'-P energy: -15.829
tors. eta vs tors. theta energy: -0.620
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: 4
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -187.892205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.892205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.892205 (E_RNA)
where:
Base-Base interactions energy: -99.728
where: short stacking energy: -54.929
Base-Backbone interact. energy: -1.239
local terms energy: -86.925224
where:
bonds (distance) C4'-P energy: -25.749
bonds (distance) P-C4' energy: -28.061
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -15.141
tors. eta vs tors. theta energy: 1.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -536.099851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.099851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.099851 (E_RNA)
where:
Base-Base interactions energy: -373.077
where: short stacking energy: -154.394
Base-Backbone interact. energy: -0.039
local terms energy: -162.983370
where:
bonds (distance) C4'-P energy: -33.752
bonds (distance) P-C4' energy: -29.468
flat angles C4'-P-C4' energy: -32.782
flat angles P-C4'-P energy: -21.305
tors. eta vs tors. theta energy: -45.676
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: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -536.910011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.910011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.910011 (E_RNA)
where:
Base-Base interactions energy: -376.188
where: short stacking energy: -155.779
Base-Backbone interact. energy: -0.148
local terms energy: -160.574426
where:
bonds (distance) C4'-P energy: -30.035
bonds (distance) P-C4' energy: -27.931
flat angles C4'-P-C4' energy: -31.025
flat angles P-C4'-P energy: -26.343
tors. eta vs tors. theta energy: -45.240
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: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -512.516408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.516408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.516408 (E_RNA)
where:
Base-Base interactions energy: -353.998
where: short stacking energy: -145.522
Base-Backbone interact. energy: -0.425
local terms energy: -158.093588
where:
bonds (distance) C4'-P energy: -26.939
bonds (distance) P-C4' energy: -27.277
flat angles C4'-P-C4' energy: -35.316
flat angles P-C4'-P energy: -23.594
tors. eta vs tors. theta energy: -44.968
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: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -507.038968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.038968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.038968 (E_RNA)
where:
Base-Base interactions energy: -351.067
where: short stacking energy: -154.658
Base-Backbone interact. energy: -0.000
local terms energy: -155.971176
where:
bonds (distance) C4'-P energy: -22.129
bonds (distance) P-C4' energy: -29.846
flat angles C4'-P-C4' energy: -33.181
flat angles P-C4'-P energy: -19.462
tors. eta vs tors. theta energy: -51.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -486.848806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.848806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.848806 (E_RNA)
where:
Base-Base interactions energy: -339.215
where: short stacking energy: -147.464
Base-Backbone interact. energy: -0.045
local terms energy: -147.589316
where:
bonds (distance) C4'-P energy: -24.750
bonds (distance) P-C4' energy: -27.840
flat angles C4'-P-C4' energy: -30.602
flat angles P-C4'-P energy: -22.266
tors. eta vs tors. theta energy: -42.131
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: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -426.975238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.975238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.975238 (E_RNA)
where:
Base-Base interactions energy: -295.635
where: short stacking energy: -126.293
Base-Backbone interact. energy: -0.236
local terms energy: -131.104230
where:
bonds (distance) C4'-P energy: -20.229
bonds (distance) P-C4' energy: -26.593
flat angles C4'-P-C4' energy: -30.657
flat angles P-C4'-P energy: -23.177
tors. eta vs tors. theta energy: -30.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -410.939787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.939787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.939787 (E_RNA)
where:
Base-Base interactions energy: -280.184
where: short stacking energy: -122.585
Base-Backbone interact. energy: -0.461
local terms energy: -130.295185
where:
bonds (distance) C4'-P energy: -30.955
bonds (distance) P-C4' energy: -25.992
flat angles C4'-P-C4' energy: -24.387
flat angles P-C4'-P energy: -21.984
tors. eta vs tors. theta energy: -26.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -380.660262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.660262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.660262 (E_RNA)
where:
Base-Base interactions energy: -259.987
where: short stacking energy: -105.033
Base-Backbone interact. energy: -0.797
local terms energy: -119.876452
where:
bonds (distance) C4'-P energy: -26.077
bonds (distance) P-C4' energy: -21.755
flat angles C4'-P-C4' energy: -20.276
flat angles P-C4'-P energy: -19.901
tors. eta vs tors. theta energy: -31.867
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: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -218.091562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.091562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.091562 (E_RNA)
where:
Base-Base interactions energy: -125.466
where: short stacking energy: -72.723
Base-Backbone interact. energy: 2.754
local terms energy: -95.379261
where:
bonds (distance) C4'-P energy: -21.126
bonds (distance) P-C4' energy: -30.107
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -16.042
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: 10, replica: 4
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -212.906073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.906073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.906073 (E_RNA)
where:
Base-Base interactions energy: -117.985
where: short stacking energy: -71.749
Base-Backbone interact. energy: -0.287
local terms energy: -94.633662
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -26.324
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -19.685
tors. eta vs tors. theta energy: -14.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -536.703118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.703118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.703118 (E_RNA)
where:
Base-Base interactions energy: -372.511
where: short stacking energy: -157.613
Base-Backbone interact. energy: -0.012
local terms energy: -164.180207
where:
bonds (distance) C4'-P energy: -32.033
bonds (distance) P-C4' energy: -29.941
flat angles C4'-P-C4' energy: -31.335
flat angles P-C4'-P energy: -23.967
tors. eta vs tors. theta energy: -46.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -519.010423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.010423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.010423 (E_RNA)
where:
Base-Base interactions energy: -370.163
where: short stacking energy: -158.544
Base-Backbone interact. energy: -0.088
local terms energy: -148.760302
where:
bonds (distance) C4'-P energy: -26.594
bonds (distance) P-C4' energy: -26.168
flat angles C4'-P-C4' energy: -30.588
flat angles P-C4'-P energy: -19.749
tors. eta vs tors. theta energy: -45.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -516.788165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.788165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.788165 (E_RNA)
where:
Base-Base interactions energy: -362.846
where: short stacking energy: -151.249
Base-Backbone interact. energy: -0.539
local terms energy: -153.403685
where:
bonds (distance) C4'-P energy: -23.546
bonds (distance) P-C4' energy: -27.524
flat angles C4'-P-C4' energy: -31.646
flat angles P-C4'-P energy: -23.083
tors. eta vs tors. theta energy: -47.605
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: 320
Temperature: 1.050000
Total energy: -486.615387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.615387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.615387 (E_RNA)
where:
Base-Base interactions energy: -342.287
where: short stacking energy: -163.180
Base-Backbone interact. energy: -0.469
local terms energy: -143.859966
where:
bonds (distance) C4'-P energy: -27.129
bonds (distance) P-C4' energy: -28.497
flat angles C4'-P-C4' energy: -28.879
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -47.006
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: 9
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -459.641272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.641272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.641272 (E_RNA)
where:
Base-Base interactions energy: -316.160
where: short stacking energy: -124.718
Base-Backbone interact. energy: -0.013
local terms energy: -143.468623
where:
bonds (distance) C4'-P energy: -26.159
bonds (distance) P-C4' energy: -27.943
flat angles C4'-P-C4' energy: -29.254
flat angles P-C4'-P energy: -22.800
tors. eta vs tors. theta energy: -37.314
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: 320
Temperature: 1.150000
Total energy: -425.320710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.320710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.320710 (E_RNA)
where:
Base-Base interactions energy: -284.794
where: short stacking energy: -130.090
Base-Backbone interact. energy: -0.324
local terms energy: -140.203399
where:
bonds (distance) C4'-P energy: -22.814
bonds (distance) P-C4' energy: -26.352
flat angles C4'-P-C4' energy: -33.753
flat angles P-C4'-P energy: -21.106
tors. eta vs tors. theta energy: -36.179
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: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -432.119986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.119986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.119986 (E_RNA)
where:
Base-Base interactions energy: -297.608
where: short stacking energy: -137.200
Base-Backbone interact. energy: -0.049
local terms energy: -134.462418
where:
bonds (distance) C4'-P energy: -24.850
bonds (distance) P-C4' energy: -28.615
flat angles C4'-P-C4' energy: -22.829
flat angles P-C4'-P energy: -21.482
tors. eta vs tors. theta energy: -36.687
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: 1
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -365.916427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.916427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.916427 (E_RNA)
where:
Base-Base interactions energy: -260.435
where: short stacking energy: -104.247
Base-Backbone interact. energy: 3.281
local terms energy: -108.762829
where:
bonds (distance) C4'-P energy: -21.988
bonds (distance) P-C4' energy: -24.910
flat angles C4'-P-C4' energy: -21.055
flat angles P-C4'-P energy: -17.677
tors. eta vs tors. theta energy: -23.134
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: 4
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -232.238562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.238562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.238562 (E_RNA)
where:
Base-Base interactions energy: -148.857
where: short stacking energy: -63.195
Base-Backbone interact. energy: -0.322
local terms energy: -83.060001
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -24.433
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -6.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -205.219091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.219091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.219091 (E_RNA)
where:
Base-Base interactions energy: -106.858
where: short stacking energy: -52.055
Base-Backbone interact. energy: 0.649
local terms energy: -99.009997
where:
bonds (distance) C4'-P energy: -26.698
bonds (distance) P-C4' energy: -21.544
flat angles C4'-P-C4' energy: -29.222
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -8.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -526.355960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.355960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.355960 (E_RNA)
where:
Base-Base interactions energy: -367.876
where: short stacking energy: -143.795
Base-Backbone interact. energy: -0.282
local terms energy: -158.198581
where:
bonds (distance) C4'-P energy: -26.821
bonds (distance) P-C4' energy: -30.686
flat angles C4'-P-C4' energy: -33.998
flat angles P-C4'-P energy: -21.945
tors. eta vs tors. theta energy: -44.748
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: 2
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -526.773132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.773132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.773132 (E_RNA)
where:
Base-Base interactions energy: -378.036
where: short stacking energy: -155.644
Base-Backbone interact. energy: -0.045
local terms energy: -148.692134
where:
bonds (distance) C4'-P energy: -21.563
bonds (distance) P-C4' energy: -28.364
flat angles C4'-P-C4' energy: -29.175
flat angles P-C4'-P energy: -22.634
tors. eta vs tors. theta energy: -46.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -527.140681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.140681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.140681 (E_RNA)
where:
Base-Base interactions energy: -381.034
where: short stacking energy: -152.244
Base-Backbone interact. energy: -0.016
local terms energy: -146.090907
where:
bonds (distance) C4'-P energy: -29.866
bonds (distance) P-C4' energy: -23.934
flat angles C4'-P-C4' energy: -24.130
flat angles P-C4'-P energy: -22.906
tors. eta vs tors. theta energy: -45.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -488.662107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.662107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.662107 (E_RNA)
where:
Base-Base interactions energy: -342.487
where: short stacking energy: -148.604
Base-Backbone interact. energy: -0.044
local terms energy: -146.131413
where:
bonds (distance) C4'-P energy: -29.390
bonds (distance) P-C4' energy: -25.010
flat angles C4'-P-C4' energy: -28.769
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -48.036
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: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -454.274977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.274977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.274977 (E_RNA)
where:
Base-Base interactions energy: -321.536
where: short stacking energy: -137.734
Base-Backbone interact. energy: 4.427
local terms energy: -137.165188
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -26.131
flat angles C4'-P-C4' energy: -27.490
flat angles P-C4'-P energy: -21.954
tors. eta vs tors. theta energy: -42.658
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: 321
Temperature: 1.150000
Total energy: -463.452687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.452687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.452687 (E_RNA)
where:
Base-Base interactions energy: -322.449
where: short stacking energy: -151.877
Base-Backbone interact. energy: -0.032
local terms energy: -140.971272
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -30.775
flat angles P-C4'-P energy: -26.510
tors. eta vs tors. theta energy: -42.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -410.104746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.104746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.104746 (E_RNA)
where:
Base-Base interactions energy: -284.054
where: short stacking energy: -123.470
Base-Backbone interact. energy: -0.929
local terms energy: -125.121614
where:
bonds (distance) C4'-P energy: -24.469
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -29.097
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -39.705
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: 1
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -401.085956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.085956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.085956 (E_RNA)
where:
Base-Base interactions energy: -286.128
where: short stacking energy: -110.008
Base-Backbone interact. energy: -0.957
local terms energy: -114.000277
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -29.925
flat angles C4'-P-C4' energy: -22.817
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -28.718
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: 4
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -237.506213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.506213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.506213 (E_RNA)
where:
Base-Base interactions energy: -140.309
where: short stacking energy: -68.002
Base-Backbone interact. energy: 2.318
local terms energy: -99.515277
where:
bonds (distance) C4'-P energy: -26.744
bonds (distance) P-C4' energy: -28.577
flat angles C4'-P-C4' energy: -23.036
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -14.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -212.909909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.909909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.909909 (E_RNA)
where:
Base-Base interactions energy: -106.966
where: short stacking energy: -59.289
Base-Backbone interact. energy: 0.603
local terms energy: -106.546768
where:
bonds (distance) C4'-P energy: -26.600
bonds (distance) P-C4' energy: -26.574
flat angles C4'-P-C4' energy: -24.508
flat angles P-C4'-P energy: -22.056
tors. eta vs tors. theta energy: -6.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -534.278783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.278783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.278783 (E_RNA)
where:
Base-Base interactions energy: -374.233
where: short stacking energy: -156.416
Base-Backbone interact. energy: -0.005
local terms energy: -160.040679
where:
bonds (distance) C4'-P energy: -25.151
bonds (distance) P-C4' energy: -32.869
flat angles C4'-P-C4' energy: -32.768
flat angles P-C4'-P energy: -24.157
tors. eta vs tors. theta energy: -45.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -524.385843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.385843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.385843 (E_RNA)
where:
Base-Base interactions energy: -369.692
where: short stacking energy: -157.219
Base-Backbone interact. energy: -0.242
local terms energy: -154.452239
where:
bonds (distance) C4'-P energy: -26.347
bonds (distance) P-C4' energy: -26.828
flat angles C4'-P-C4' energy: -30.813
flat angles P-C4'-P energy: -20.491
tors. eta vs tors. theta energy: -49.973
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: 10
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -516.870410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.870410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.870410 (E_RNA)
where:
Base-Base interactions energy: -369.305
where: short stacking energy: -154.430
Base-Backbone interact. energy: -0.218
local terms energy: -147.347637
where:
bonds (distance) C4'-P energy: -23.452
bonds (distance) P-C4' energy: -23.597
flat angles C4'-P-C4' energy: -28.853
flat angles P-C4'-P energy: -20.714
tors. eta vs tors. theta energy: -50.732
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: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -512.144389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.144389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.144389 (E_RNA)
where:
Base-Base interactions energy: -364.283
where: short stacking energy: -154.404
Base-Backbone interact. energy: -0.645
local terms energy: -147.216245
where:
bonds (distance) C4'-P energy: -23.482
bonds (distance) P-C4' energy: -29.639
flat angles C4'-P-C4' energy: -29.896
flat angles P-C4'-P energy: -18.784
tors. eta vs tors. theta energy: -45.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -433.785792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.785792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.785792 (E_RNA)
where:
Base-Base interactions energy: -294.604
where: short stacking energy: -118.014
Base-Backbone interact. energy: -0.071
local terms energy: -139.110863
where:
bonds (distance) C4'-P energy: -28.059
bonds (distance) P-C4' energy: -27.145
flat angles C4'-P-C4' energy: -24.493
flat angles P-C4'-P energy: -22.857
tors. eta vs tors. theta energy: -36.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -435.325375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.325375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.325375 (E_RNA)
where:
Base-Base interactions energy: -302.736
where: short stacking energy: -131.238
Base-Backbone interact. energy: -0.428
local terms energy: -132.160730
where:
bonds (distance) C4'-P energy: -26.084
bonds (distance) P-C4' energy: -31.222
flat angles C4'-P-C4' energy: -20.700
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -36.956
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: 1
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -375.333754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.333754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.333754 (E_RNA)
where:
Base-Base interactions energy: -255.797
where: short stacking energy: -112.130
Base-Backbone interact. energy: 0.388
local terms energy: -119.924257
where:
bonds (distance) C4'-P energy: -17.818
bonds (distance) P-C4' energy: -24.730
flat angles C4'-P-C4' energy: -33.546
flat angles P-C4'-P energy: -14.225
tors. eta vs tors. theta energy: -29.606
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: 3
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -416.421647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.421647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.421647 (E_RNA)
where:
Base-Base interactions energy: -297.539
where: short stacking energy: -125.517
Base-Backbone interact. energy: 0.354
local terms energy: -119.237366
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -18.643
flat angles C4'-P-C4' energy: -24.519
flat angles P-C4'-P energy: -23.810
tors. eta vs tors. theta energy: -34.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -204.200722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.200722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.200722 (E_RNA)
where:
Base-Base interactions energy: -97.055
where: short stacking energy: -54.943
Base-Backbone interact. energy: -1.062
local terms energy: -106.083844
where:
bonds (distance) C4'-P energy: -25.341
bonds (distance) P-C4' energy: -30.583
flat angles C4'-P-C4' energy: -21.058
flat angles P-C4'-P energy: -17.649
tors. eta vs tors. theta energy: -11.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -185.854982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.854982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.854982 (E_RNA)
where:
Base-Base interactions energy: -86.737
where: short stacking energy: -44.190
Base-Backbone interact. energy: -0.293
local terms energy: -98.825381
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -26.613
flat angles C4'-P-C4' energy: -27.560
flat angles P-C4'-P energy: -20.137
tors. eta vs tors. theta energy: -4.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -535.647982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.647982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.647982 (E_RNA)
where:
Base-Base interactions energy: -384.163
where: short stacking energy: -161.801
Base-Backbone interact. energy: -0.056
local terms energy: -151.428540
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -26.689
flat angles C4'-P-C4' energy: -28.888
flat angles P-C4'-P energy: -24.830
tors. eta vs tors. theta energy: -48.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -530.687125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.687125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.687125 (E_RNA)
where:
Base-Base interactions energy: -375.739
where: short stacking energy: -144.335
Base-Backbone interact. energy: -0.356
local terms energy: -154.591934
where:
bonds (distance) C4'-P energy: -29.736
bonds (distance) P-C4' energy: -29.431
flat angles C4'-P-C4' energy: -29.480
flat angles P-C4'-P energy: -20.323
tors. eta vs tors. theta energy: -45.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -520.723904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.723904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.723904 (E_RNA)
where:
Base-Base interactions energy: -370.691
where: short stacking energy: -158.803
Base-Backbone interact. energy: -0.440
local terms energy: -149.592434
where:
bonds (distance) C4'-P energy: -23.879
bonds (distance) P-C4' energy: -28.641
flat angles C4'-P-C4' energy: -30.417
flat angles P-C4'-P energy: -22.163
tors. eta vs tors. theta energy: -44.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -499.284286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.284286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.284286 (E_RNA)
where:
Base-Base interactions energy: -346.396
where: short stacking energy: -147.973
Base-Backbone interact. energy: -0.002
local terms energy: -152.886115
where:
bonds (distance) C4'-P energy: -21.475
bonds (distance) P-C4' energy: -28.185
flat angles C4'-P-C4' energy: -32.067
flat angles P-C4'-P energy: -23.808
tors. eta vs tors. theta energy: -47.351
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: 323
Temperature: 1.100000
Total energy: -447.114274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.114274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.114274 (E_RNA)
where:
Base-Base interactions energy: -317.399
where: short stacking energy: -148.185
Base-Backbone interact. energy: -0.665
local terms energy: -129.050206
where:
bonds (distance) C4'-P energy: -22.910
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -29.695
flat angles P-C4'-P energy: -19.530
tors. eta vs tors. theta energy: -33.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -454.795428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.795428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.795428 (E_RNA)
where:
Base-Base interactions energy: -317.816
where: short stacking energy: -149.285
Base-Backbone interact. energy: -0.035
local terms energy: -136.944215
where:
bonds (distance) C4'-P energy: -25.820
bonds (distance) P-C4' energy: -25.795
flat angles C4'-P-C4' energy: -30.465
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -39.339
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: 1
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -365.734147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.734147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.734147 (E_RNA)
where:
Base-Base interactions energy: -255.628
where: short stacking energy: -120.312
Base-Backbone interact. energy: 2.201
local terms energy: -112.307368
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -25.687
flat angles C4'-P-C4' energy: -24.403
flat angles P-C4'-P energy: -16.861
tors. eta vs tors. theta energy: -31.057
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: 3
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -417.151083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.151083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.151083 (E_RNA)
where:
Base-Base interactions energy: -288.857
where: short stacking energy: -125.414
Base-Backbone interact. energy: -0.156
local terms energy: -128.137734
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -26.934
flat angles C4'-P-C4' energy: -20.041
flat angles P-C4'-P energy: -21.685
tors. eta vs tors. theta energy: -32.661
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: 7
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -215.208229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.208229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.208229 (E_RNA)
where:
Base-Base interactions energy: -121.675
where: short stacking energy: -71.051
Base-Backbone interact. energy: 0.580
local terms energy: -94.112496
where:
bonds (distance) C4'-P energy: -24.806
bonds (distance) P-C4' energy: -21.215
flat angles C4'-P-C4' energy: -21.487
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -12.234
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: 323
Temperature: 1.350000
Total energy: -206.010378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.010378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.010378 (E_RNA)
where:
Base-Base interactions energy: -114.109
where: short stacking energy: -67.350
Base-Backbone interact. energy: -0.391
local terms energy: -91.510706
where:
bonds (distance) C4'-P energy: -21.611
bonds (distance) P-C4' energy: -26.786
flat angles C4'-P-C4' energy: -24.437
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -6.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -540.818501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.818501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.818501 (E_RNA)
where:
Base-Base interactions energy: -368.665
where: short stacking energy: -154.708
Base-Backbone interact. energy: -0.007
local terms energy: -172.146188
where:
bonds (distance) C4'-P energy: -31.520
bonds (distance) P-C4' energy: -35.517
flat angles C4'-P-C4' energy: -32.308
flat angles P-C4'-P energy: -21.728
tors. eta vs tors. theta energy: -51.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -534.122649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.122649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.122649 (E_RNA)
where:
Base-Base interactions energy: -377.471
where: short stacking energy: -153.258
Base-Backbone interact. energy: -0.689
local terms energy: -155.963026
where:
bonds (distance) C4'-P energy: -30.458
bonds (distance) P-C4' energy: -26.462
flat angles C4'-P-C4' energy: -28.275
flat angles P-C4'-P energy: -26.471
tors. eta vs tors. theta energy: -44.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -523.814302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.814302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.814302 (E_RNA)
where:
Base-Base interactions energy: -380.600
where: short stacking energy: -163.165
Base-Backbone interact. energy: -0.012
local terms energy: -143.202892
where:
bonds (distance) C4'-P energy: -25.639
bonds (distance) P-C4' energy: -29.639
flat angles C4'-P-C4' energy: -26.219
flat angles P-C4'-P energy: -17.371
tors. eta vs tors. theta energy: -44.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -503.244272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.244272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.244272 (E_RNA)
where:
Base-Base interactions energy: -349.427
where: short stacking energy: -148.491
Base-Backbone interact. energy: -0.505
local terms energy: -153.312849
where:
bonds (distance) C4'-P energy: -26.042
bonds (distance) P-C4' energy: -27.780
flat angles C4'-P-C4' energy: -31.994
flat angles P-C4'-P energy: -21.437
tors. eta vs tors. theta energy: -46.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -464.032461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.032461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.032461 (E_RNA)
where:
Base-Base interactions energy: -327.597
where: short stacking energy: -133.964
Base-Backbone interact. energy: -0.040
local terms energy: -136.395415
where:
bonds (distance) C4'-P energy: -25.561
bonds (distance) P-C4' energy: -23.404
flat angles C4'-P-C4' energy: -27.129
flat angles P-C4'-P energy: -21.413
tors. eta vs tors. theta energy: -38.888
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: 6
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -417.724206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.724206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.724206 (E_RNA)
where:
Base-Base interactions energy: -288.811
where: short stacking energy: -121.197
Base-Backbone interact. energy: -0.599
local terms energy: -128.314619
where:
bonds (distance) C4'-P energy: -27.216
bonds (distance) P-C4' energy: -23.441
flat angles C4'-P-C4' energy: -30.220
flat angles P-C4'-P energy: -15.430
tors. eta vs tors. theta energy: -32.009
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: 7, replica: 3
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -423.196843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.196843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.196843 (E_RNA)
where:
Base-Base interactions energy: -289.501
where: short stacking energy: -127.634
Base-Backbone interact. energy: -0.294
local terms energy: -133.401400
where:
bonds (distance) C4'-P energy: -25.122
bonds (distance) P-C4' energy: -26.294
flat angles C4'-P-C4' energy: -29.216
flat angles P-C4'-P energy: -18.951
tors. eta vs tors. theta energy: -33.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -383.525239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.525239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.525239 (E_RNA)
where:
Base-Base interactions energy: -281.266
where: short stacking energy: -114.815
Base-Backbone interact. energy: -1.464
local terms energy: -100.795537
where:
bonds (distance) C4'-P energy: -25.858
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -21.761
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -25.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -202.147244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.147244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.147244 (E_RNA)
where:
Base-Base interactions energy: -110.105
where: short stacking energy: -64.928
Base-Backbone interact. energy: -0.511
local terms energy: -91.531297
where:
bonds (distance) C4'-P energy: -24.843
bonds (distance) P-C4' energy: -25.417
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -16.133
tors. eta vs tors. theta energy: -4.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -226.367970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.367970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.367970 (E_RNA)
where:
Base-Base interactions energy: -139.730
where: short stacking energy: -71.890
Base-Backbone interact. energy: -0.394
local terms energy: -86.243560
where:
bonds (distance) C4'-P energy: -21.013
bonds (distance) P-C4' energy: -22.364
flat angles C4'-P-C4' energy: -23.418
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -9.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -537.237741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.237741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.237741 (E_RNA)
where:
Base-Base interactions energy: -388.162
where: short stacking energy: -156.819
Base-Backbone interact. energy: -0.112
local terms energy: -148.964043
where:
bonds (distance) C4'-P energy: -24.273
bonds (distance) P-C4' energy: -24.571
flat angles C4'-P-C4' energy: -29.485
flat angles P-C4'-P energy: -22.187
tors. eta vs tors. theta energy: -48.448
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: 10
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -523.753931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.753931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.753931 (E_RNA)
where:
Base-Base interactions energy: -371.292
where: short stacking energy: -160.728
Base-Backbone interact. energy: -0.005
local terms energy: -152.456378
where:
bonds (distance) C4'-P energy: -26.538
bonds (distance) P-C4' energy: -26.482
flat angles C4'-P-C4' energy: -30.946
flat angles P-C4'-P energy: -19.128
tors. eta vs tors. theta energy: -49.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -515.146092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.146092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.146092 (E_RNA)
where:
Base-Base interactions energy: -360.625
where: short stacking energy: -155.650
Base-Backbone interact. energy: -0.003
local terms energy: -154.518194
where:
bonds (distance) C4'-P energy: -24.454
bonds (distance) P-C4' energy: -28.496
flat angles C4'-P-C4' energy: -31.686
flat angles P-C4'-P energy: -20.525
tors. eta vs tors. theta energy: -49.357
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: 5
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -500.951756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.951756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.951756 (E_RNA)
where:
Base-Base interactions energy: -347.973
where: short stacking energy: -157.277
Base-Backbone interact. energy: -0.002
local terms energy: -152.977054
where:
bonds (distance) C4'-P energy: -31.141
bonds (distance) P-C4' energy: -25.409
flat angles C4'-P-C4' energy: -30.343
flat angles P-C4'-P energy: -17.713
tors. eta vs tors. theta energy: -48.371
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: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -454.627842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.627842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.627842 (E_RNA)
where:
Base-Base interactions energy: -318.326
where: short stacking energy: -132.285
Base-Backbone interact. energy: 1.335
local terms energy: -137.637323
where:
bonds (distance) C4'-P energy: -22.363
bonds (distance) P-C4' energy: -28.394
flat angles C4'-P-C4' energy: -30.885
flat angles P-C4'-P energy: -20.956
tors. eta vs tors. theta energy: -35.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -433.305556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.305556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.305556 (E_RNA)
where:
Base-Base interactions energy: -297.324
where: short stacking energy: -130.318
Base-Backbone interact. energy: -0.128
local terms energy: -135.853097
where:
bonds (distance) C4'-P energy: -25.592
bonds (distance) P-C4' energy: -20.825
flat angles C4'-P-C4' energy: -28.336
flat angles P-C4'-P energy: -24.081
tors. eta vs tors. theta energy: -37.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -394.650571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.650571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.650571 (E_RNA)
where:
Base-Base interactions energy: -277.953
where: short stacking energy: -114.366
Base-Backbone interact. energy: -0.169
local terms energy: -116.528460
where:
bonds (distance) C4'-P energy: -22.412
bonds (distance) P-C4' energy: -23.416
flat angles C4'-P-C4' energy: -18.743
flat angles P-C4'-P energy: -23.438
tors. eta vs tors. theta energy: -28.520
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: 1
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -412.521545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.521545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.521545 (E_RNA)
where:
Base-Base interactions energy: -276.099
where: short stacking energy: -128.153
Base-Backbone interact. energy: -0.067
local terms energy: -136.355640
where:
bonds (distance) C4'-P energy: -25.106
bonds (distance) P-C4' energy: -23.884
flat angles C4'-P-C4' energy: -26.577
flat angles P-C4'-P energy: -21.421
tors. eta vs tors. theta energy: -39.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -203.328942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.328942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.328942 (E_RNA)
where:
Base-Base interactions energy: -110.628
where: short stacking energy: -64.685
Base-Backbone interact. energy: 0.162
local terms energy: -92.862912
where:
bonds (distance) C4'-P energy: -23.702
bonds (distance) P-C4' energy: -21.895
flat angles C4'-P-C4' energy: -23.909
flat angles P-C4'-P energy: -17.630
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: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -202.732759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.732759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.732759 (E_RNA)
where:
Base-Base interactions energy: -118.251
where: short stacking energy: -70.542
Base-Backbone interact. energy: -0.647
local terms energy: -83.834344
where:
bonds (distance) C4'-P energy: -20.213
bonds (distance) P-C4' energy: -23.965
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -9.524
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: 326
Temperature: 0.900000
Total energy: -544.050242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.050242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.050242 (E_RNA)
where:
Base-Base interactions energy: -385.040
where: short stacking energy: -151.226
Base-Backbone interact. energy: -0.702
local terms energy: -158.308101
where:
bonds (distance) C4'-P energy: -31.582
bonds (distance) P-C4' energy: -25.685
flat angles C4'-P-C4' energy: -33.915
flat angles P-C4'-P energy: -19.042
tors. eta vs tors. theta energy: -48.083
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: 10
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -525.954850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.954850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.954850 (E_RNA)
where:
Base-Base interactions energy: -373.006
where: short stacking energy: -153.984
Base-Backbone interact. energy: -1.646
local terms energy: -151.303221
where:
bonds (distance) C4'-P energy: -23.985
bonds (distance) P-C4' energy: -27.583
flat angles C4'-P-C4' energy: -31.661
flat angles P-C4'-P energy: -19.674
tors. eta vs tors. theta energy: -48.401
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: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -524.566028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.566028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.566028 (E_RNA)
where:
Base-Base interactions energy: -379.687
where: short stacking energy: -155.232
Base-Backbone interact. energy: -0.289
local terms energy: -144.589978
where:
bonds (distance) C4'-P energy: -22.314
bonds (distance) P-C4' energy: -22.685
flat angles C4'-P-C4' energy: -30.496
flat angles P-C4'-P energy: -23.702
tors. eta vs tors. theta energy: -45.394
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: 326
Temperature: 1.050000
Total energy: -496.891135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.891135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.891135 (E_RNA)
where:
Base-Base interactions energy: -346.931
where: short stacking energy: -154.919
Base-Backbone interact. energy: -0.791
local terms energy: -149.168382
where:
bonds (distance) C4'-P energy: -27.374
bonds (distance) P-C4' energy: -25.510
flat angles C4'-P-C4' energy: -34.447
flat angles P-C4'-P energy: -16.434
tors. eta vs tors. theta energy: -45.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -458.937447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.937447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.937447 (E_RNA)
where:
Base-Base interactions energy: -312.579
where: short stacking energy: -133.560
Base-Backbone interact. energy: -0.124
local terms energy: -146.234103
where:
bonds (distance) C4'-P energy: -29.407
bonds (distance) P-C4' energy: -33.253
flat angles C4'-P-C4' energy: -26.755
flat angles P-C4'-P energy: -16.875
tors. eta vs tors. theta energy: -39.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -428.497147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.497147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.497147 (E_RNA)
where:
Base-Base interactions energy: -292.605
where: short stacking energy: -140.117
Base-Backbone interact. energy: 0.092
local terms energy: -135.983549
where:
bonds (distance) C4'-P energy: -31.531
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -23.393
flat angles P-C4'-P energy: -20.540
tors. eta vs tors. theta energy: -38.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -421.299337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.299337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.299337 (E_RNA)
where:
Base-Base interactions energy: -295.322
where: short stacking energy: -133.046
Base-Backbone interact. energy: -0.741
local terms energy: -125.236684
where:
bonds (distance) C4'-P energy: -21.749
bonds (distance) P-C4' energy: -22.624
flat angles C4'-P-C4' energy: -23.174
flat angles P-C4'-P energy: -19.088
tors. eta vs tors. theta energy: -38.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -385.736474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.736474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.736474 (E_RNA)
where:
Base-Base interactions energy: -271.351
where: short stacking energy: -107.545
Base-Backbone interact. energy: -0.877
local terms energy: -113.508048
where:
bonds (distance) C4'-P energy: -25.487
bonds (distance) P-C4' energy: -30.006
flat angles C4'-P-C4' energy: -24.107
flat angles P-C4'-P energy: -9.937
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: 9, replica: 4
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -230.757214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.757214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.757214 (E_RNA)
where:
Base-Base interactions energy: -139.305
where: short stacking energy: -59.212
Base-Backbone interact. energy: -1.615
local terms energy: -89.837360
where:
bonds (distance) C4'-P energy: -22.794
bonds (distance) P-C4' energy: -21.960
flat angles C4'-P-C4' energy: -23.346
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -7.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -221.469573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.469573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.469573 (E_RNA)
where:
Base-Base interactions energy: -129.157
where: short stacking energy: -71.419
Base-Backbone interact. energy: -0.942
local terms energy: -91.370750
where:
bonds (distance) C4'-P energy: -23.130
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -18.147
tors. eta vs tors. theta energy: -9.882
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: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -532.040904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.040904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.040904 (E_RNA)
where:
Base-Base interactions energy: -372.363
where: short stacking energy: -153.333
Base-Backbone interact. energy: -0.833
local terms energy: -158.845062
where:
bonds (distance) C4'-P energy: -29.236
bonds (distance) P-C4' energy: -27.841
flat angles C4'-P-C4' energy: -31.543
flat angles P-C4'-P energy: -22.422
tors. eta vs tors. theta energy: -47.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -524.301163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.301163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.301163 (E_RNA)
where:
Base-Base interactions energy: -377.678
where: short stacking energy: -139.720
Base-Backbone interact. energy: 1.590
local terms energy: -148.213369
where:
bonds (distance) C4'-P energy: -27.303
bonds (distance) P-C4' energy: -26.397
flat angles C4'-P-C4' energy: -31.372
flat angles P-C4'-P energy: -22.651
tors. eta vs tors. theta energy: -40.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -524.226599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.226599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.226599 (E_RNA)
where:
Base-Base interactions energy: -368.475
where: short stacking energy: -151.595
Base-Backbone interact. energy: -0.078
local terms energy: -155.673377
where:
bonds (distance) C4'-P energy: -25.335
bonds (distance) P-C4' energy: -34.168
flat angles C4'-P-C4' energy: -30.308
flat angles P-C4'-P energy: -23.008
tors. eta vs tors. theta energy: -42.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -454.856728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.856728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.856728 (E_RNA)
where:
Base-Base interactions energy: -318.225
where: short stacking energy: -133.177
Base-Backbone interact. energy: -1.316
local terms energy: -135.315187
where:
bonds (distance) C4'-P energy: -23.361
bonds (distance) P-C4' energy: -32.899
flat angles C4'-P-C4' energy: -31.322
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -34.869
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: 327
Temperature: 1.100000
Total energy: -493.175008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.175008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.175008 (E_RNA)
where:
Base-Base interactions energy: -352.808
where: short stacking energy: -142.784
Base-Backbone interact. energy: -0.149
local terms energy: -140.218600
where:
bonds (distance) C4'-P energy: -26.321
bonds (distance) P-C4' energy: -24.554
flat angles C4'-P-C4' energy: -26.604
flat angles P-C4'-P energy: -17.524
tors. eta vs tors. theta energy: -45.216
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: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -440.286496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.286496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.286496 (E_RNA)
where:
Base-Base interactions energy: -300.363
where: short stacking energy: -130.134
Base-Backbone interact. energy: -0.950
local terms energy: -138.972803
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -29.956
flat angles C4'-P-C4' energy: -26.200
flat angles P-C4'-P energy: -19.000
tors. eta vs tors. theta energy: -41.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -402.136899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.136899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.136899 (E_RNA)
where:
Base-Base interactions energy: -273.294
where: short stacking energy: -125.706
Base-Backbone interact. energy: -0.367
local terms energy: -128.475828
where:
bonds (distance) C4'-P energy: -23.198
bonds (distance) P-C4' energy: -29.042
flat angles C4'-P-C4' energy: -27.850
flat angles P-C4'-P energy: -16.875
tors. eta vs tors. theta energy: -31.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -357.562420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.562420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.562420 (E_RNA)
where:
Base-Base interactions energy: -244.477
where: short stacking energy: -93.994
Base-Backbone interact. energy: -0.306
local terms energy: -112.779291
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -28.233
flat angles C4'-P-C4' energy: -21.641
flat angles P-C4'-P energy: -15.649
tors. eta vs tors. theta energy: -29.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -236.822504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.822504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.822504 (E_RNA)
where:
Base-Base interactions energy: -137.359
where: short stacking energy: -57.044
Base-Backbone interact. energy: -0.496
local terms energy: -98.966883
where:
bonds (distance) C4'-P energy: -22.958
bonds (distance) P-C4' energy: -25.228
flat angles C4'-P-C4' energy: -30.281
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -5.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -202.404368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.404368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.404368 (E_RNA)
where:
Base-Base interactions energy: -115.273
where: short stacking energy: -72.152
Base-Backbone interact. energy: 0.572
local terms energy: -87.702831
where:
bonds (distance) C4'-P energy: -22.853
bonds (distance) P-C4' energy: -29.641
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -8.393
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: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -532.952825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.952825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.952825 (E_RNA)
where:
Base-Base interactions energy: -374.973
where: short stacking energy: -158.638
Base-Backbone interact. energy: -0.757
local terms energy: -157.222291
where:
bonds (distance) C4'-P energy: -29.034
bonds (distance) P-C4' energy: -26.392
flat angles C4'-P-C4' energy: -29.887
flat angles P-C4'-P energy: -24.156
tors. eta vs tors. theta energy: -47.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -523.479034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.479034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.479034 (E_RNA)
where:
Base-Base interactions energy: -363.589
where: short stacking energy: -156.940
Base-Backbone interact. energy: -0.091
local terms energy: -159.798254
where:
bonds (distance) C4'-P energy: -31.208
bonds (distance) P-C4' energy: -31.702
flat angles C4'-P-C4' energy: -31.431
flat angles P-C4'-P energy: -22.980
tors. eta vs tors. theta energy: -42.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -516.882156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.882156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.882156 (E_RNA)
where:
Base-Base interactions energy: -358.484
where: short stacking energy: -150.609
Base-Backbone interact. energy: -0.659
local terms energy: -157.738971
where:
bonds (distance) C4'-P energy: -27.166
bonds (distance) P-C4' energy: -28.148
flat angles C4'-P-C4' energy: -31.950
flat angles P-C4'-P energy: -22.465
tors. eta vs tors. theta energy: -48.011
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: 9
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -470.544099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.544099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.544099 (E_RNA)
where:
Base-Base interactions energy: -337.006
where: short stacking energy: -137.313
Base-Backbone interact. energy: -0.716
local terms energy: -132.821849
where:
bonds (distance) C4'-P energy: -26.206
bonds (distance) P-C4' energy: -25.638
flat angles C4'-P-C4' energy: -28.764
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -35.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -501.547245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.547245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.547245 (E_RNA)
where:
Base-Base interactions energy: -347.789
where: short stacking energy: -160.183
Base-Backbone interact. energy: -0.296
local terms energy: -153.462736
where:
bonds (distance) C4'-P energy: -30.554
bonds (distance) P-C4' energy: -30.068
flat angles C4'-P-C4' energy: -30.288
flat angles P-C4'-P energy: -18.840
tors. eta vs tors. theta energy: -43.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -443.224898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.224898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.224898 (E_RNA)
where:
Base-Base interactions energy: -310.264
where: short stacking energy: -130.246
Base-Backbone interact. energy: -1.404
local terms energy: -131.556833
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -26.733
flat angles C4'-P-C4' energy: -28.135
flat angles P-C4'-P energy: -17.421
tors. eta vs tors. theta energy: -38.122
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: 7, replica: 3
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -424.324616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.324616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.324616 (E_RNA)
where:
Base-Base interactions energy: -291.538
where: short stacking energy: -118.371
Base-Backbone interact. energy: -0.477
local terms energy: -132.309309
where:
bonds (distance) C4'-P energy: -26.003
bonds (distance) P-C4' energy: -25.868
flat angles C4'-P-C4' energy: -25.943
flat angles P-C4'-P energy: -18.690
tors. eta vs tors. theta energy: -35.805
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: 8, replica: 1
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -304.967941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.967941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.967941 (E_RNA)
where:
Base-Base interactions energy: -199.612
where: short stacking energy: -85.868
Base-Backbone interact. energy: 1.001
local terms energy: -106.356290
where:
bonds (distance) C4'-P energy: -26.502
bonds (distance) P-C4' energy: -26.108
flat angles C4'-P-C4' energy: -24.798
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -11.717
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: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -211.971683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.971683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.971683 (E_RNA)
where:
Base-Base interactions energy: -119.291
where: short stacking energy: -63.117
Base-Backbone interact. energy: -1.746
local terms energy: -90.935257
where:
bonds (distance) C4'-P energy: -24.574
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -28.629
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -7.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -261.661947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.661947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.661947 (E_RNA)
where:
Base-Base interactions energy: -165.221
where: short stacking energy: -75.019
Base-Backbone interact. energy: 2.126
local terms energy: -98.566985
where:
bonds (distance) C4'-P energy: -22.555
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -25.595
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -14.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -533.756318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.756318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.756318 (E_RNA)
where:
Base-Base interactions energy: -383.509
where: short stacking energy: -163.126
Base-Backbone interact. energy: -0.098
local terms energy: -150.149195
where:
bonds (distance) C4'-P energy: -29.649
bonds (distance) P-C4' energy: -24.624
flat angles C4'-P-C4' energy: -31.313
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: -48.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -534.468875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.468875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.468875 (E_RNA)
where:
Base-Base interactions energy: -379.949
where: short stacking energy: -164.029
Base-Backbone interact. energy: -0.286
local terms energy: -154.233488
where:
bonds (distance) C4'-P energy: -26.004
bonds (distance) P-C4' energy: -26.416
flat angles C4'-P-C4' energy: -32.956
flat angles P-C4'-P energy: -21.302
tors. eta vs tors. theta energy: -47.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -521.866610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.866610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.866610 (E_RNA)
where:
Base-Base interactions energy: -374.946
where: short stacking energy: -147.946
Base-Backbone interact. energy: -1.047
local terms energy: -145.874103
where:
bonds (distance) C4'-P energy: -25.644
bonds (distance) P-C4' energy: -26.028
flat angles C4'-P-C4' energy: -32.989
flat angles P-C4'-P energy: -15.813
tors. eta vs tors. theta energy: -45.400
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: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -511.348103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.348103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.348103 (E_RNA)
where:
Base-Base interactions energy: -355.689
where: short stacking energy: -136.588
Base-Backbone interact. energy: 0.025
local terms energy: -155.683421
where:
bonds (distance) C4'-P energy: -22.663
bonds (distance) P-C4' energy: -26.521
flat angles C4'-P-C4' energy: -35.071
flat angles P-C4'-P energy: -24.189
tors. eta vs tors. theta energy: -47.240
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: 9
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -460.183053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.183053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.183053 (E_RNA)
where:
Base-Base interactions energy: -321.393
where: short stacking energy: -140.279
Base-Backbone interact. energy: 0.021
local terms energy: -138.811247
where:
bonds (distance) C4'-P energy: -22.670
bonds (distance) P-C4' energy: -26.843
flat angles C4'-P-C4' energy: -30.690
flat angles P-C4'-P energy: -20.359
tors. eta vs tors. theta energy: -38.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -429.011231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.011231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.011231 (E_RNA)
where:
Base-Base interactions energy: -291.973
where: short stacking energy: -116.290
Base-Backbone interact. energy: -0.066
local terms energy: -136.971886
where:
bonds (distance) C4'-P energy: -29.578
bonds (distance) P-C4' energy: -26.152
flat angles C4'-P-C4' energy: -22.512
flat angles P-C4'-P energy: -19.479
tors. eta vs tors. theta energy: -39.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -435.819572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.819572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.819572 (E_RNA)
where:
Base-Base interactions energy: -302.371
where: short stacking energy: -131.556
Base-Backbone interact. energy: -0.415
local terms energy: -133.033619
where:
bonds (distance) C4'-P energy: -20.674
bonds (distance) P-C4' energy: -22.720
flat angles C4'-P-C4' energy: -28.683
flat angles P-C4'-P energy: -20.852
tors. eta vs tors. theta energy: -40.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -288.408479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.408479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.408479 (E_RNA)
where:
Base-Base interactions energy: -190.139
where: short stacking energy: -81.895
Base-Backbone interact. energy: -0.883
local terms energy: -97.386954
where:
bonds (distance) C4'-P energy: -22.206
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -24.243
flat angles P-C4'-P energy: -15.972
tors. eta vs tors. theta energy: -15.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -234.099635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.099635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.099635 (E_RNA)
where:
Base-Base interactions energy: -131.835
where: short stacking energy: -77.158
Base-Backbone interact. energy: -0.572
local terms energy: -101.692616
where:
bonds (distance) C4'-P energy: -22.844
bonds (distance) P-C4' energy: -30.661
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -20.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -273.466200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.466200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.466200 (E_RNA)
where:
Base-Base interactions energy: -175.666
where: short stacking energy: -71.864
Base-Backbone interact. energy: -0.817
local terms energy: -96.982838
where:
bonds (distance) C4'-P energy: -23.162
bonds (distance) P-C4' energy: -30.192
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -12.015
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: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -536.481606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.481606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.481606 (E_RNA)
where:
Base-Base interactions energy: -373.830
where: short stacking energy: -157.629
Base-Backbone interact. energy: -0.195
local terms energy: -162.455684
where:
bonds (distance) C4'-P energy: -27.248
bonds (distance) P-C4' energy: -32.485
flat angles C4'-P-C4' energy: -30.385
flat angles P-C4'-P energy: -25.641
tors. eta vs tors. theta energy: -46.697
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: 10
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -528.961856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.961856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.961856 (E_RNA)
where:
Base-Base interactions energy: -366.313
where: short stacking energy: -157.109
Base-Backbone interact. energy: -0.022
local terms energy: -162.627099
where:
bonds (distance) C4'-P energy: -31.479
bonds (distance) P-C4' energy: -30.820
flat angles C4'-P-C4' energy: -27.988
flat angles P-C4'-P energy: -23.919
tors. eta vs tors. theta energy: -48.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -513.123508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.123508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.123508 (E_RNA)
where:
Base-Base interactions energy: -356.221
where: short stacking energy: -141.776
Base-Backbone interact. energy: -0.011
local terms energy: -156.890861
where:
bonds (distance) C4'-P energy: -27.654
bonds (distance) P-C4' energy: -29.576
flat angles C4'-P-C4' energy: -31.888
flat angles P-C4'-P energy: -23.946
tors. eta vs tors. theta energy: -43.827
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: 4, replica: 8
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -508.897748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.897748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.897748 (E_RNA)
where:
Base-Base interactions energy: -370.311
where: short stacking energy: -147.283
Base-Backbone interact. energy: -0.118
local terms energy: -138.469091
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -31.730
flat angles C4'-P-C4' energy: -30.091
flat angles P-C4'-P energy: -20.022
tors. eta vs tors. theta energy: -40.718
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: 9
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -475.394866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.394866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.394866 (E_RNA)
where:
Base-Base interactions energy: -337.209
where: short stacking energy: -142.440
Base-Backbone interact. energy: -0.068
local terms energy: -138.117968
where:
bonds (distance) C4'-P energy: -25.705
bonds (distance) P-C4' energy: -25.873
flat angles C4'-P-C4' energy: -28.996
flat angles P-C4'-P energy: -19.281
tors. eta vs tors. theta energy: -38.264
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: 330
Temperature: 1.150000
Total energy: -443.885539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.885539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.885539 (E_RNA)
where:
Base-Base interactions energy: -298.726
where: short stacking energy: -136.099
Base-Backbone interact. energy: 3.476
local terms energy: -148.635621
where:
bonds (distance) C4'-P energy: -25.360
bonds (distance) P-C4' energy: -29.250
flat angles C4'-P-C4' energy: -34.973
flat angles P-C4'-P energy: -18.732
tors. eta vs tors. theta energy: -40.320
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: 330
Temperature: 1.200000
Total energy: -419.949369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.949369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.949369 (E_RNA)
where:
Base-Base interactions energy: -287.704
where: short stacking energy: -120.918
Base-Backbone interact. energy: 0.039
local terms energy: -132.284839
where:
bonds (distance) C4'-P energy: -25.187
bonds (distance) P-C4' energy: -26.689
flat angles C4'-P-C4' energy: -25.735
flat angles P-C4'-P energy: -23.047
tors. eta vs tors. theta energy: -31.627
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: 1
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -320.626041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.626041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.626041 (E_RNA)
where:
Base-Base interactions energy: -198.646
where: short stacking energy: -108.244
Base-Backbone interact. energy: -0.076
local terms energy: -121.903831
where:
bonds (distance) C4'-P energy: -25.257
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -27.728
flat angles P-C4'-P energy: -19.542
tors. eta vs tors. theta energy: -28.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -215.582086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.582086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.582086 (E_RNA)
where:
Base-Base interactions energy: -116.511
where: short stacking energy: -66.635
Base-Backbone interact. energy: 1.037
local terms energy: -100.107823
where:
bonds (distance) C4'-P energy: -26.876
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -26.309
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -223.693738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.693738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.693738 (E_RNA)
where:
Base-Base interactions energy: -136.224
where: short stacking energy: -57.101
Base-Backbone interact. energy: -0.228
local terms energy: -87.241730
where:
bonds (distance) C4'-P energy: -23.838
bonds (distance) P-C4' energy: -23.480
flat angles C4'-P-C4' energy: -23.511
flat angles P-C4'-P energy: -16.635
tors. eta vs tors. theta energy: 0.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -536.383743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.383743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.383743 (E_RNA)
where:
Base-Base interactions energy: -384.717
where: short stacking energy: -147.733
Base-Backbone interact. energy: -0.052
local terms energy: -151.615541
where:
bonds (distance) C4'-P energy: -25.046
bonds (distance) P-C4' energy: -28.093
flat angles C4'-P-C4' energy: -30.135
flat angles P-C4'-P energy: -23.055
tors. eta vs tors. theta energy: -45.286
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: 10
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -524.865151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.865151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.865151 (E_RNA)
where:
Base-Base interactions energy: -363.754
where: short stacking energy: -148.181
Base-Backbone interact. energy: -0.044
local terms energy: -161.067116
where:
bonds (distance) C4'-P energy: -27.000
bonds (distance) P-C4' energy: -28.283
flat angles C4'-P-C4' energy: -34.817
flat angles P-C4'-P energy: -25.754
tors. eta vs tors. theta energy: -45.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -512.411522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.411522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.411522 (E_RNA)
where:
Base-Base interactions energy: -353.470
where: short stacking energy: -149.824
Base-Backbone interact. energy: -0.415
local terms energy: -158.526711
where:
bonds (distance) C4'-P energy: -28.537
bonds (distance) P-C4' energy: -29.831
flat angles C4'-P-C4' energy: -29.826
flat angles P-C4'-P energy: -21.760
tors. eta vs tors. theta energy: -48.573
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: 4, replica: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -509.417118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.417118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.417118 (E_RNA)
where:
Base-Base interactions energy: -357.485
where: short stacking energy: -144.273
Base-Backbone interact. energy: -0.094
local terms energy: -151.838609
where:
bonds (distance) C4'-P energy: -28.437
bonds (distance) P-C4' energy: -31.187
flat angles C4'-P-C4' energy: -29.001
flat angles P-C4'-P energy: -21.427
tors. eta vs tors. theta energy: -41.786
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: 9
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -459.497615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.497615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.497615 (E_RNA)
where:
Base-Base interactions energy: -326.942
where: short stacking energy: -144.971
Base-Backbone interact. energy: -0.136
local terms energy: -132.420177
where:
bonds (distance) C4'-P energy: -28.403
bonds (distance) P-C4' energy: -21.303
flat angles C4'-P-C4' energy: -27.275
flat angles P-C4'-P energy: -20.740
tors. eta vs tors. theta energy: -34.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -442.703500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.703500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.703500 (E_RNA)
where:
Base-Base interactions energy: -304.469
where: short stacking energy: -127.637
Base-Backbone interact. energy: -0.169
local terms energy: -138.065818
where:
bonds (distance) C4'-P energy: -26.818
bonds (distance) P-C4' energy: -21.287
flat angles C4'-P-C4' energy: -30.745
flat angles P-C4'-P energy: -16.313
tors. eta vs tors. theta energy: -42.903
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: 6
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -435.869489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.869489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.869489 (E_RNA)
where:
Base-Base interactions energy: -302.962
where: short stacking energy: -128.582
Base-Backbone interact. energy: -0.404
local terms energy: -132.503268
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -32.374
flat angles P-C4'-P energy: -23.105
tors. eta vs tors. theta energy: -35.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -305.472206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.472206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.472206 (E_RNA)
where:
Base-Base interactions energy: -194.434
where: short stacking energy: -88.851
Base-Backbone interact. energy: -1.227
local terms energy: -109.811078
where:
bonds (distance) C4'-P energy: -24.002
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -28.150
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -23.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -217.305038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.305038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.305038 (E_RNA)
where:
Base-Base interactions energy: -121.356
where: short stacking energy: -75.154
Base-Backbone interact. energy: -0.537
local terms energy: -95.411265
where:
bonds (distance) C4'-P energy: -23.855
bonds (distance) P-C4' energy: -28.302
flat angles C4'-P-C4' energy: -21.116
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -12.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -162.975767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.975767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.975767 (E_RNA)
where:
Base-Base interactions energy: -78.624
where: short stacking energy: -42.026
Base-Backbone interact. energy: -0.117
local terms energy: -84.234483
where:
bonds (distance) C4'-P energy: -19.125
bonds (distance) P-C4' energy: -22.821
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -17.560
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: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -538.782213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.782213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.782213 (E_RNA)
where:
Base-Base interactions energy: -380.182
where: short stacking energy: -149.002
Base-Backbone interact. energy: -0.933
local terms energy: -157.667656
where:
bonds (distance) C4'-P energy: -28.586
bonds (distance) P-C4' energy: -28.641
flat angles C4'-P-C4' energy: -31.136
flat angles P-C4'-P energy: -24.169
tors. eta vs tors. theta energy: -45.135
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: 10
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -531.873865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.873865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.873865 (E_RNA)
where:
Base-Base interactions energy: -373.970
where: short stacking energy: -146.190
Base-Backbone interact. energy: -0.023
local terms energy: -157.881469
where:
bonds (distance) C4'-P energy: -30.405
bonds (distance) P-C4' energy: -27.441
flat angles C4'-P-C4' energy: -30.645
flat angles P-C4'-P energy: -21.024
tors. eta vs tors. theta energy: -48.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -514.951494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.951494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.951494 (E_RNA)
where:
Base-Base interactions energy: -375.139
where: short stacking energy: -153.058
Base-Backbone interact. energy: -0.007
local terms energy: -139.805867
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -25.869
flat angles C4'-P-C4' energy: -31.394
flat angles P-C4'-P energy: -16.470
tors. eta vs tors. theta energy: -41.785
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: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -500.846825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.846825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.846825 (E_RNA)
where:
Base-Base interactions energy: -355.713
where: short stacking energy: -150.951
Base-Backbone interact. energy: -0.025
local terms energy: -145.108684
where:
bonds (distance) C4'-P energy: -28.102
bonds (distance) P-C4' energy: -20.495
flat angles C4'-P-C4' energy: -30.353
flat angles P-C4'-P energy: -21.011
tors. eta vs tors. theta energy: -45.147
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: 332
Temperature: 1.100000
Total energy: -446.261413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.261413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.261413 (E_RNA)
where:
Base-Base interactions energy: -312.815
where: short stacking energy: -130.164
Base-Backbone interact. energy: -1.206
local terms energy: -132.239542
where:
bonds (distance) C4'-P energy: -21.363
bonds (distance) P-C4' energy: -27.773
flat angles C4'-P-C4' energy: -28.444
flat angles P-C4'-P energy: -21.077
tors. eta vs tors. theta energy: -33.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -429.572300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.572300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.572300 (E_RNA)
where:
Base-Base interactions energy: -287.106
where: short stacking energy: -135.171
Base-Backbone interact. energy: -0.130
local terms energy: -142.335742
where:
bonds (distance) C4'-P energy: -26.014
bonds (distance) P-C4' energy: -22.710
flat angles C4'-P-C4' energy: -29.935
flat angles P-C4'-P energy: -20.696
tors. eta vs tors. theta energy: -42.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -417.484498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.484498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.484498 (E_RNA)
where:
Base-Base interactions energy: -289.706
where: short stacking energy: -118.483
Base-Backbone interact. energy: -0.150
local terms energy: -127.628468
where:
bonds (distance) C4'-P energy: -24.728
bonds (distance) P-C4' energy: -25.250
flat angles C4'-P-C4' energy: -25.761
flat angles P-C4'-P energy: -15.257
tors. eta vs tors. theta energy: -36.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -314.990515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.990515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.990515 (E_RNA)
where:
Base-Base interactions energy: -206.715
where: short stacking energy: -85.704
Base-Backbone interact. energy: -0.821
local terms energy: -107.453849
where:
bonds (distance) C4'-P energy: -26.938
bonds (distance) P-C4' energy: -27.982
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -19.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -207.374218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.374218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.374218 (E_RNA)
where:
Base-Base interactions energy: -106.881
where: short stacking energy: -55.429
Base-Backbone interact. energy: -2.160
local terms energy: -98.333050
where:
bonds (distance) C4'-P energy: -23.283
bonds (distance) P-C4' energy: -24.258
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -20.233
tors. eta vs tors. theta energy: -10.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -153.168831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.168831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.168831 (E_RNA)
where:
Base-Base interactions energy: -70.946
where: short stacking energy: -39.773
Base-Backbone interact. energy: -0.386
local terms energy: -81.836727
where:
bonds (distance) C4'-P energy: -25.150
bonds (distance) P-C4' energy: -27.486
flat angles C4'-P-C4' energy: -21.627
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -533.078322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.078322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.078322 (E_RNA)
where:
Base-Base interactions energy: -373.732
where: short stacking energy: -160.785
Base-Backbone interact. energy: -0.583
local terms energy: -158.762467
where:
bonds (distance) C4'-P energy: -28.289
bonds (distance) P-C4' energy: -30.162
flat angles C4'-P-C4' energy: -30.994
flat angles P-C4'-P energy: -22.054
tors. eta vs tors. theta energy: -47.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -529.761958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.761958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.761958 (E_RNA)
where:
Base-Base interactions energy: -364.654
where: short stacking energy: -148.430
Base-Backbone interact. energy: -0.109
local terms energy: -164.999854
where:
bonds (distance) C4'-P energy: -29.949
bonds (distance) P-C4' energy: -31.872
flat angles C4'-P-C4' energy: -31.644
flat angles P-C4'-P energy: -24.142
tors. eta vs tors. theta energy: -47.393
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: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -520.252524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.252524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.252524 (E_RNA)
where:
Base-Base interactions energy: -362.910
where: short stacking energy: -149.426
Base-Backbone interact. energy: -0.053
local terms energy: -157.289004
where:
bonds (distance) C4'-P energy: -28.196
bonds (distance) P-C4' energy: -32.129
flat angles C4'-P-C4' energy: -26.735
flat angles P-C4'-P energy: -25.952
tors. eta vs tors. theta energy: -44.276
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: 4, replica: 5
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -502.695518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.695518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.695518 (E_RNA)
where:
Base-Base interactions energy: -355.461
where: short stacking energy: -151.495
Base-Backbone interact. energy: -0.138
local terms energy: -147.096030
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -24.634
flat angles C4'-P-C4' energy: -28.903
flat angles P-C4'-P energy: -22.843
tors. eta vs tors. theta energy: -46.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -431.636813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.636813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.636813 (E_RNA)
where:
Base-Base interactions energy: -309.933
where: short stacking energy: -130.079
Base-Backbone interact. energy: -0.089
local terms energy: -121.615215
where:
bonds (distance) C4'-P energy: -23.014
bonds (distance) P-C4' energy: -19.664
flat angles C4'-P-C4' energy: -27.864
flat angles P-C4'-P energy: -15.941
tors. eta vs tors. theta energy: -35.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -427.965995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.965995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.965995 (E_RNA)
where:
Base-Base interactions energy: -283.012
where: short stacking energy: -127.640
Base-Backbone interact. energy: -0.004
local terms energy: -144.950176
where:
bonds (distance) C4'-P energy: -26.640
bonds (distance) P-C4' energy: -25.038
flat angles C4'-P-C4' energy: -30.747
flat angles P-C4'-P energy: -19.364
tors. eta vs tors. theta energy: -43.161
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: 6
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -404.117433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.117433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.117433 (E_RNA)
where:
Base-Base interactions energy: -281.143
where: short stacking energy: -119.954
Base-Backbone interact. energy: -0.475
local terms energy: -122.498926
where:
bonds (distance) C4'-P energy: -24.831
bonds (distance) P-C4' energy: -24.888
flat angles C4'-P-C4' energy: -31.422
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -33.674
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: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -354.492441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.492441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.492441 (E_RNA)
where:
Base-Base interactions energy: -250.715
where: short stacking energy: -96.187
Base-Backbone interact. energy: -0.269
local terms energy: -103.508636
where:
bonds (distance) C4'-P energy: -26.150
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -24.734
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -17.922
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: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -222.901893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.901893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.901893 (E_RNA)
where:
Base-Base interactions energy: -129.889
where: short stacking energy: -65.523
Base-Backbone interact. energy: -0.766
local terms energy: -92.247077
where:
bonds (distance) C4'-P energy: -19.509
bonds (distance) P-C4' energy: -25.369
flat angles C4'-P-C4' energy: -23.746
flat angles P-C4'-P energy: -19.758
tors. eta vs tors. theta energy: -3.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -143.305800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.305800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.305800 (E_RNA)
where:
Base-Base interactions energy: -54.523
where: short stacking energy: -41.365
Base-Backbone interact. energy: 1.609
local terms energy: -90.392422
where:
bonds (distance) C4'-P energy: -25.108
bonds (distance) P-C4' energy: -29.739
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -18.008
tors. eta vs tors. theta energy: 0.515
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: 334
Temperature: 0.900000
Total energy: -536.855037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.855037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.855037 (E_RNA)
where:
Base-Base interactions energy: -377.895
where: short stacking energy: -160.188
Base-Backbone interact. energy: -0.003
local terms energy: -158.957239
where:
bonds (distance) C4'-P energy: -29.609
bonds (distance) P-C4' energy: -27.870
flat angles C4'-P-C4' energy: -29.503
flat angles P-C4'-P energy: -24.253
tors. eta vs tors. theta energy: -47.722
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: 10
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -522.425747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.425747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.425747 (E_RNA)
where:
Base-Base interactions energy: -366.767
where: short stacking energy: -145.824
Base-Backbone interact. energy: -0.800
local terms energy: -154.858051
where:
bonds (distance) C4'-P energy: -26.715
bonds (distance) P-C4' energy: -31.344
flat angles C4'-P-C4' energy: -29.315
flat angles P-C4'-P energy: -21.491
tors. eta vs tors. theta energy: -45.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -525.532924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.532924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.532924 (E_RNA)
where:
Base-Base interactions energy: -375.041
where: short stacking energy: -155.765
Base-Backbone interact. energy: -0.005
local terms energy: -150.486636
where:
bonds (distance) C4'-P energy: -24.307
bonds (distance) P-C4' energy: -26.772
flat angles C4'-P-C4' energy: -30.158
flat angles P-C4'-P energy: -22.118
tors. eta vs tors. theta energy: -47.131
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: 5
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -510.148515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.148515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.148515 (E_RNA)
where:
Base-Base interactions energy: -364.657
where: short stacking energy: -149.378
Base-Backbone interact. energy: -1.203
local terms energy: -144.288495
where:
bonds (distance) C4'-P energy: -27.803
bonds (distance) P-C4' energy: -28.981
flat angles C4'-P-C4' energy: -26.847
flat angles P-C4'-P energy: -19.305
tors. eta vs tors. theta energy: -41.353
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: 5, replica: 9
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -446.534023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.534023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.534023 (E_RNA)
where:
Base-Base interactions energy: -317.196
where: short stacking energy: -126.541
Base-Backbone interact. energy: -0.615
local terms energy: -128.723831
where:
bonds (distance) C4'-P energy: -24.268
bonds (distance) P-C4' energy: -25.670
flat angles C4'-P-C4' energy: -22.684
flat angles P-C4'-P energy: -25.538
tors. eta vs tors. theta energy: -30.563
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: 3
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -427.995629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.995629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.995629 (E_RNA)
where:
Base-Base interactions energy: -289.999
where: short stacking energy: -128.181
Base-Backbone interact. energy: -0.171
local terms energy: -137.826155
where:
bonds (distance) C4'-P energy: -27.117
bonds (distance) P-C4' energy: -28.228
flat angles C4'-P-C4' energy: -30.612
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -39.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -414.125783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.125783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.125783 (E_RNA)
where:
Base-Base interactions energy: -297.364
where: short stacking energy: -119.634
Base-Backbone interact. energy: -0.193
local terms energy: -116.569067
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -26.654
flat angles C4'-P-C4' energy: -23.394
flat angles P-C4'-P energy: -17.221
tors. eta vs tors. theta energy: -35.730
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: 8, replica: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -384.986611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.986611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.986611 (E_RNA)
where:
Base-Base interactions energy: -276.868
where: short stacking energy: -116.731
Base-Backbone interact. energy: -0.214
local terms energy: -107.904958
where:
bonds (distance) C4'-P energy: -19.563
bonds (distance) P-C4' energy: -21.255
flat angles C4'-P-C4' energy: -28.074
flat angles P-C4'-P energy: -15.785
tors. eta vs tors. theta energy: -23.227
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: 9, replica: 7
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -202.033339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.033339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.033339 (E_RNA)
where:
Base-Base interactions energy: -104.389
where: short stacking energy: -63.437
Base-Backbone interact. energy: -0.252
local terms energy: -97.392030
where:
bonds (distance) C4'-P energy: -25.841
bonds (distance) P-C4' energy: -26.515
flat angles C4'-P-C4' energy: -25.188
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -4.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -149.069256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.069256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.069256 (E_RNA)
where:
Base-Base interactions energy: -63.349
where: short stacking energy: -50.529
Base-Backbone interact. energy: -1.249
local terms energy: -84.471816
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -21.598
flat angles C4'-P-C4' energy: -24.874
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -11.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -527.770336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.770336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.770336 (E_RNA)
where:
Base-Base interactions energy: -375.394
where: short stacking energy: -156.364
Base-Backbone interact. energy: -0.845
local terms energy: -151.531044
where:
bonds (distance) C4'-P energy: -28.181
bonds (distance) P-C4' energy: -28.118
flat angles C4'-P-C4' energy: -28.000
flat angles P-C4'-P energy: -25.310
tors. eta vs tors. theta energy: -41.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -529.062340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.062340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.062340 (E_RNA)
where:
Base-Base interactions energy: -378.123
where: short stacking energy: -152.258
Base-Backbone interact. energy: 1.524
local terms energy: -152.463463
where:
bonds (distance) C4'-P energy: -28.564
bonds (distance) P-C4' energy: -26.707
flat angles C4'-P-C4' energy: -29.865
flat angles P-C4'-P energy: -21.971
tors. eta vs tors. theta energy: -45.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -515.127762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.127762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.127762 (E_RNA)
where:
Base-Base interactions energy: -362.143
where: short stacking energy: -144.262
Base-Backbone interact. energy: -0.014
local terms energy: -152.970607
where:
bonds (distance) C4'-P energy: -28.971
bonds (distance) P-C4' energy: -29.549
flat angles C4'-P-C4' energy: -30.334
flat angles P-C4'-P energy: -21.277
tors. eta vs tors. theta energy: -42.840
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: 4, replica: 5
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -500.815175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.815175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.815175 (E_RNA)
where:
Base-Base interactions energy: -347.242
where: short stacking energy: -151.191
Base-Backbone interact. energy: -0.803
local terms energy: -152.770307
where:
bonds (distance) C4'-P energy: -27.386
bonds (distance) P-C4' energy: -30.449
flat angles C4'-P-C4' energy: -26.968
flat angles P-C4'-P energy: -20.765
tors. eta vs tors. theta energy: -47.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -453.637294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.637294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.637294 (E_RNA)
where:
Base-Base interactions energy: -310.026
where: short stacking energy: -137.721
Base-Backbone interact. energy: -0.051
local terms energy: -143.560258
where:
bonds (distance) C4'-P energy: -29.422
bonds (distance) P-C4' energy: -26.325
flat angles C4'-P-C4' energy: -27.120
flat angles P-C4'-P energy: -21.497
tors. eta vs tors. theta energy: -39.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -417.391739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.391739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.391739 (E_RNA)
where:
Base-Base interactions energy: -302.426
where: short stacking energy: -125.241
Base-Backbone interact. energy: 0.853
local terms energy: -115.819021
where:
bonds (distance) C4'-P energy: -19.730
bonds (distance) P-C4' energy: -21.344
flat angles C4'-P-C4' energy: -25.302
flat angles P-C4'-P energy: -18.854
tors. eta vs tors. theta energy: -30.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -409.260394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.260394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.260394 (E_RNA)
where:
Base-Base interactions energy: -282.886
where: short stacking energy: -120.619
Base-Backbone interact. energy: -1.017
local terms energy: -125.357420
where:
bonds (distance) C4'-P energy: -25.498
bonds (distance) P-C4' energy: -17.437
flat angles C4'-P-C4' energy: -28.715
flat angles P-C4'-P energy: -17.053
tors. eta vs tors. theta energy: -36.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -404.102812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.102812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.102812 (E_RNA)
where:
Base-Base interactions energy: -293.661
where: short stacking energy: -122.113
Base-Backbone interact. energy: -0.548
local terms energy: -109.893851
where:
bonds (distance) C4'-P energy: -27.795
bonds (distance) P-C4' energy: -22.986
flat angles C4'-P-C4' energy: -26.910
flat angles P-C4'-P energy: -6.118
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: 9, replica: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -208.263300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.263300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.263300 (E_RNA)
where:
Base-Base interactions energy: -116.763
where: short stacking energy: -63.476
Base-Backbone interact. energy: 2.359
local terms energy: -93.859504
where:
bonds (distance) C4'-P energy: -21.516
bonds (distance) P-C4' energy: -25.998
flat angles C4'-P-C4' energy: -23.941
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -9.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -127.170065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.170065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.170065 (E_RNA)
where:
Base-Base interactions energy: -43.984
where: short stacking energy: -43.088
Base-Backbone interact. energy: -0.824
local terms energy: -82.362096
where:
bonds (distance) C4'-P energy: -24.250
bonds (distance) P-C4' energy: -21.676
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -18.214
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: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -537.137021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.137021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.137021 (E_RNA)
where:
Base-Base interactions energy: -383.011
where: short stacking energy: -157.092
Base-Backbone interact. energy: -0.594
local terms energy: -153.532062
where:
bonds (distance) C4'-P energy: -23.907
bonds (distance) P-C4' energy: -31.127
flat angles C4'-P-C4' energy: -26.658
flat angles P-C4'-P energy: -26.873
tors. eta vs tors. theta energy: -44.968
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: 10
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -527.263250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.263250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.263250 (E_RNA)
where:
Base-Base interactions energy: -374.472
where: short stacking energy: -159.337
Base-Backbone interact. energy: -0.009
local terms energy: -152.782253
where:
bonds (distance) C4'-P energy: -24.349
bonds (distance) P-C4' energy: -24.363
flat angles C4'-P-C4' energy: -30.887
flat angles P-C4'-P energy: -27.586
tors. eta vs tors. theta energy: -45.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -512.628734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.628734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.628734 (E_RNA)
where:
Base-Base interactions energy: -355.516
where: short stacking energy: -144.049
Base-Backbone interact. energy: -0.783
local terms energy: -156.329177
where:
bonds (distance) C4'-P energy: -26.656
bonds (distance) P-C4' energy: -29.579
flat angles C4'-P-C4' energy: -33.179
flat angles P-C4'-P energy: -23.894
tors. eta vs tors. theta energy: -43.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -512.088432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.088432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.088432 (E_RNA)
where:
Base-Base interactions energy: -372.045
where: short stacking energy: -153.860
Base-Backbone interact. energy: -0.159
local terms energy: -139.884144
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -26.704
flat angles C4'-P-C4' energy: -31.834
flat angles P-C4'-P energy: -20.881
tors. eta vs tors. theta energy: -47.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -426.656668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.656668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.656668 (E_RNA)
where:
Base-Base interactions energy: -301.822
where: short stacking energy: -135.110
Base-Backbone interact. energy: -0.196
local terms energy: -124.637975
where:
bonds (distance) C4'-P energy: -22.708
bonds (distance) P-C4' energy: -21.813
flat angles C4'-P-C4' energy: -26.035
flat angles P-C4'-P energy: -18.314
tors. eta vs tors. theta energy: -35.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -453.815537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.815537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.815537 (E_RNA)
where:
Base-Base interactions energy: -315.305
where: short stacking energy: -135.896
Base-Backbone interact. energy: -0.125
local terms energy: -138.385457
where:
bonds (distance) C4'-P energy: -25.165
bonds (distance) P-C4' energy: -26.026
flat angles C4'-P-C4' energy: -29.948
flat angles P-C4'-P energy: -20.313
tors. eta vs tors. theta energy: -36.933
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: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -419.675680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.675680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.675680 (E_RNA)
where:
Base-Base interactions energy: -304.653
where: short stacking energy: -121.074
Base-Backbone interact. energy: -0.692
local terms energy: -114.330130
where:
bonds (distance) C4'-P energy: -27.813
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -26.604
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -30.903
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: 3
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -430.921826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.921826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.921826 (E_RNA)
where:
Base-Base interactions energy: -289.027
where: short stacking energy: -139.277
Base-Backbone interact. energy: -0.256
local terms energy: -141.639152
where:
bonds (distance) C4'-P energy: -23.721
bonds (distance) P-C4' energy: -27.732
flat angles C4'-P-C4' energy: -25.661
flat angles P-C4'-P energy: -20.771
tors. eta vs tors. theta energy: -43.754
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: 9, replica: 4
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -134.333502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.333502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.333502 (E_RNA)
where:
Base-Base interactions energy: -50.680
where: short stacking energy: -49.321
Base-Backbone interact. energy: -0.641
local terms energy: -83.012025
where:
bonds (distance) C4'-P energy: -22.315
bonds (distance) P-C4' energy: -21.072
flat angles C4'-P-C4' energy: -24.213
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -2.359
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: 10, replica: 7
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -188.459293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.459293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.459293 (E_RNA)
where:
Base-Base interactions energy: -104.426
where: short stacking energy: -54.999
Base-Backbone interact. energy: 0.499
local terms energy: -84.532384
where:
bonds (distance) C4'-P energy: -21.969
bonds (distance) P-C4' energy: -29.859
flat angles C4'-P-C4' energy: -19.129
flat angles P-C4'-P energy: -14.850
tors. eta vs tors. theta energy: 1.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -528.228902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.228902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.228902 (E_RNA)
where:
Base-Base interactions energy: -372.266
where: short stacking energy: -160.612
Base-Backbone interact. energy: -0.426
local terms energy: -155.536927
where:
bonds (distance) C4'-P energy: -29.723
bonds (distance) P-C4' energy: -28.064
flat angles C4'-P-C4' energy: -30.435
flat angles P-C4'-P energy: -19.394
tors. eta vs tors. theta energy: -47.921
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: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -521.975611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.975611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.975611 (E_RNA)
where:
Base-Base interactions energy: -361.386
where: short stacking energy: -150.721
Base-Backbone interact. energy: -1.254
local terms energy: -159.335781
where:
bonds (distance) C4'-P energy: -27.459
bonds (distance) P-C4' energy: -30.465
flat angles C4'-P-C4' energy: -31.935
flat angles P-C4'-P energy: -23.797
tors. eta vs tors. theta energy: -45.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -527.598253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.598253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.598253 (E_RNA)
where:
Base-Base interactions energy: -373.761
where: short stacking energy: -152.477
Base-Backbone interact. energy: -0.056
local terms energy: -153.781242
where:
bonds (distance) C4'-P energy: -29.897
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -34.824
flat angles P-C4'-P energy: -19.049
tors. eta vs tors. theta energy: -51.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -522.324381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.324381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.324381 (E_RNA)
where:
Base-Base interactions energy: -370.086
where: short stacking energy: -148.987
Base-Backbone interact. energy: -0.854
local terms energy: -151.384699
where:
bonds (distance) C4'-P energy: -28.097
bonds (distance) P-C4' energy: -27.283
flat angles C4'-P-C4' energy: -28.226
flat angles P-C4'-P energy: -22.269
tors. eta vs tors. theta energy: -45.510
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: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -446.010627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.010627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.010627 (E_RNA)
where:
Base-Base interactions energy: -318.964
where: short stacking energy: -126.648
Base-Backbone interact. energy: 0.323
local terms energy: -127.369401
where:
bonds (distance) C4'-P energy: -20.473
bonds (distance) P-C4' energy: -24.242
flat angles C4'-P-C4' energy: -24.793
flat angles P-C4'-P energy: -17.691
tors. eta vs tors. theta energy: -40.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -443.200913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.200913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.200913 (E_RNA)
where:
Base-Base interactions energy: -309.558
where: short stacking energy: -133.688
Base-Backbone interact. energy: -0.470
local terms energy: -133.172982
where:
bonds (distance) C4'-P energy: -18.908
bonds (distance) P-C4' energy: -23.153
flat angles C4'-P-C4' energy: -30.889
flat angles P-C4'-P energy: -21.549
tors. eta vs tors. theta energy: -38.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -405.061532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.061532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.061532 (E_RNA)
where:
Base-Base interactions energy: -283.463
where: short stacking energy: -108.667
Base-Backbone interact. energy: -0.408
local terms energy: -121.190680
where:
bonds (distance) C4'-P energy: -20.447
bonds (distance) P-C4' energy: -27.107
flat angles C4'-P-C4' energy: -24.333
flat angles P-C4'-P energy: -15.303
tors. eta vs tors. theta energy: -34.001
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: 3
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -398.814020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.814020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.814020 (E_RNA)
where:
Base-Base interactions energy: -275.901
where: short stacking energy: -129.208
Base-Backbone interact. energy: -0.349
local terms energy: -122.564232
where:
bonds (distance) C4'-P energy: -23.156
bonds (distance) P-C4' energy: -23.075
flat angles C4'-P-C4' energy: -24.113
flat angles P-C4'-P energy: -19.481
tors. eta vs tors. theta energy: -32.740
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: 4
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -170.285701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.285701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.285701 (E_RNA)
where:
Base-Base interactions energy: -79.053
where: short stacking energy: -60.721
Base-Backbone interact. energy: -0.957
local terms energy: -90.275694
where:
bonds (distance) C4'-P energy: -21.214
bonds (distance) P-C4' energy: -23.185
flat angles C4'-P-C4' energy: -18.655
flat angles P-C4'-P energy: -15.470
tors. eta vs tors. theta energy: -11.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -218.453819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.453819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.453819 (E_RNA)
where:
Base-Base interactions energy: -112.788
where: short stacking energy: -61.130
Base-Backbone interact. energy: -0.534
local terms energy: -105.131541
where:
bonds (distance) C4'-P energy: -24.868
bonds (distance) P-C4' energy: -24.588
flat angles C4'-P-C4' energy: -20.887
flat angles P-C4'-P energy: -21.795
tors. eta vs tors. theta energy: -12.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -523.191373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.191373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.191373 (E_RNA)
where:
Base-Base interactions energy: -357.200
where: short stacking energy: -155.248
Base-Backbone interact. energy: -0.022
local terms energy: -165.969096
where:
bonds (distance) C4'-P energy: -29.397
bonds (distance) P-C4' energy: -32.276
flat angles C4'-P-C4' energy: -32.874
flat angles P-C4'-P energy: -23.672
tors. eta vs tors. theta energy: -47.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -530.039884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.039884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.039884 (E_RNA)
where:
Base-Base interactions energy: -373.510
where: short stacking energy: -152.578
Base-Backbone interact. energy: 0.017
local terms energy: -156.547074
where:
bonds (distance) C4'-P energy: -27.968
bonds (distance) P-C4' energy: -30.623
flat angles C4'-P-C4' energy: -32.302
flat angles P-C4'-P energy: -19.976
tors. eta vs tors. theta energy: -45.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -514.900064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.900064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.900064 (E_RNA)
where:
Base-Base interactions energy: -357.768
where: short stacking energy: -153.604
Base-Backbone interact. energy: -0.010
local terms energy: -157.121442
where:
bonds (distance) C4'-P energy: -29.649
bonds (distance) P-C4' energy: -31.729
flat angles C4'-P-C4' energy: -33.252
flat angles P-C4'-P energy: -17.398
tors. eta vs tors. theta energy: -45.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -509.278543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.278543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.278543 (E_RNA)
where:
Base-Base interactions energy: -356.917
where: short stacking energy: -147.675
Base-Backbone interact. energy: -0.151
local terms energy: -152.211221
where:
bonds (distance) C4'-P energy: -22.373
bonds (distance) P-C4' energy: -29.920
flat angles C4'-P-C4' energy: -32.039
flat angles P-C4'-P energy: -21.641
tors. eta vs tors. theta energy: -46.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -447.192155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.192155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.192155 (E_RNA)
where:
Base-Base interactions energy: -303.814
where: short stacking energy: -129.646
Base-Backbone interact. energy: -0.499
local terms energy: -142.879571
where:
bonds (distance) C4'-P energy: -26.008
bonds (distance) P-C4' energy: -29.580
flat angles C4'-P-C4' energy: -28.140
flat angles P-C4'-P energy: -19.789
tors. eta vs tors. theta energy: -39.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -451.085106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.085106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.085106 (E_RNA)
where:
Base-Base interactions energy: -304.317
where: short stacking energy: -132.752
Base-Backbone interact. energy: -1.839
local terms energy: -144.928476
where:
bonds (distance) C4'-P energy: -26.111
bonds (distance) P-C4' energy: -24.062
flat angles C4'-P-C4' energy: -26.133
flat angles P-C4'-P energy: -27.192
tors. eta vs tors. theta energy: -41.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -415.132976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.132976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.132976 (E_RNA)
where:
Base-Base interactions energy: -283.058
where: short stacking energy: -124.556
Base-Backbone interact. energy: -0.085
local terms energy: -131.989903
where:
bonds (distance) C4'-P energy: -24.520
bonds (distance) P-C4' energy: -27.255
flat angles C4'-P-C4' energy: -24.982
flat angles P-C4'-P energy: -17.658
tors. eta vs tors. theta energy: -37.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -350.791201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.791201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.791201 (E_RNA)
where:
Base-Base interactions energy: -252.821
where: short stacking energy: -86.307
Base-Backbone interact. energy: -0.614
local terms energy: -97.356228
where:
bonds (distance) C4'-P energy: -20.373
bonds (distance) P-C4' energy: -21.296
flat angles C4'-P-C4' energy: -22.915
flat angles P-C4'-P energy: -16.685
tors. eta vs tors. theta energy: -16.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -195.533358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.533358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.533358 (E_RNA)
where:
Base-Base interactions energy: -108.667
where: short stacking energy: -71.774
Base-Backbone interact. energy: 3.675
local terms energy: -90.540706
where:
bonds (distance) C4'-P energy: -24.583
bonds (distance) P-C4' energy: -23.835
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -8.688
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: 4
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -125.660485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.660485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.660485 (E_RNA)
where:
Base-Base interactions energy: -63.188
where: short stacking energy: -33.742
Base-Backbone interact. energy: 0.512
local terms energy: -62.984137
where:
bonds (distance) C4'-P energy: -21.517
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -25.148
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: 13.390
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: 5
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -522.766392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.766392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.766392 (E_RNA)
where:
Base-Base interactions energy: -354.771
where: short stacking energy: -161.393
Base-Backbone interact. energy: -0.578
local terms energy: -167.417833
where:
bonds (distance) C4'-P energy: -29.133
bonds (distance) P-C4' energy: -32.387
flat angles C4'-P-C4' energy: -35.111
flat angles P-C4'-P energy: -21.539
tors. eta vs tors. theta energy: -49.247
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: 2, replica: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -510.355131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.355131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.355131 (E_RNA)
where:
Base-Base interactions energy: -354.581
where: short stacking energy: -143.552
Base-Backbone interact. energy: 0.491
local terms energy: -156.265341
where:
bonds (distance) C4'-P energy: -30.478
bonds (distance) P-C4' energy: -26.361
flat angles C4'-P-C4' energy: -32.584
flat angles P-C4'-P energy: -22.011
tors. eta vs tors. theta energy: -44.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -523.604349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.604349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.604349 (E_RNA)
where:
Base-Base interactions energy: -366.933
where: short stacking energy: -157.584
Base-Backbone interact. energy: 0.307
local terms energy: -156.978488
where:
bonds (distance) C4'-P energy: -27.741
bonds (distance) P-C4' energy: -27.838
flat angles C4'-P-C4' energy: -29.137
flat angles P-C4'-P energy: -23.082
tors. eta vs tors. theta energy: -49.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -492.665482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.665482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.665482 (E_RNA)
where:
Base-Base interactions energy: -356.904
where: short stacking energy: -135.916
Base-Backbone interact. energy: -0.345
local terms energy: -135.417303
where:
bonds (distance) C4'-P energy: -19.903
bonds (distance) P-C4' energy: -23.382
flat angles C4'-P-C4' energy: -33.757
flat angles P-C4'-P energy: -19.523
tors. eta vs tors. theta energy: -38.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -464.529201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.529201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.529201 (E_RNA)
where:
Base-Base interactions energy: -316.696
where: short stacking energy: -138.285
Base-Backbone interact. energy: -0.035
local terms energy: -147.797553
where:
bonds (distance) C4'-P energy: -24.540
bonds (distance) P-C4' energy: -28.619
flat angles C4'-P-C4' energy: -29.383
flat angles P-C4'-P energy: -23.204
tors. eta vs tors. theta energy: -42.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -438.093150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.093150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.093150 (E_RNA)
where:
Base-Base interactions energy: -303.761
where: short stacking energy: -129.841
Base-Backbone interact. energy: 0.781
local terms energy: -135.112264
where:
bonds (distance) C4'-P energy: -28.140
bonds (distance) P-C4' energy: -28.670
flat angles C4'-P-C4' energy: -24.203
flat angles P-C4'-P energy: -16.530
tors. eta vs tors. theta energy: -37.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -414.447750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.447750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.447750 (E_RNA)
where:
Base-Base interactions energy: -271.901
where: short stacking energy: -119.990
Base-Backbone interact. energy: 1.634
local terms energy: -144.181281
where:
bonds (distance) C4'-P energy: -29.514
bonds (distance) P-C4' energy: -31.043
flat angles C4'-P-C4' energy: -23.990
flat angles P-C4'-P energy: -18.184
tors. eta vs tors. theta energy: -41.450
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: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -319.228164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.228164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.228164 (E_RNA)
where:
Base-Base interactions energy: -213.900
where: short stacking energy: -109.351
Base-Backbone interact. energy: 0.716
local terms energy: -106.043795
where:
bonds (distance) C4'-P energy: -20.798
bonds (distance) P-C4' energy: -26.729
flat angles C4'-P-C4' energy: -25.981
flat angles P-C4'-P energy: -14.730
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: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -206.151906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.151906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.151906 (E_RNA)
where:
Base-Base interactions energy: -112.290
where: short stacking energy: -59.099
Base-Backbone interact. energy: 3.257
local terms energy: -97.118664
where:
bonds (distance) C4'-P energy: -19.277
bonds (distance) P-C4' energy: -21.148
flat angles C4'-P-C4' energy: -26.370
flat angles P-C4'-P energy: -18.817
tors. eta vs tors. theta energy: -11.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -135.450347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.450347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.450347 (E_RNA)
where:
Base-Base interactions energy: -50.236
where: short stacking energy: -34.650
Base-Backbone interact. energy: -1.131
local terms energy: -84.084140
where:
bonds (distance) C4'-P energy: -24.738
bonds (distance) P-C4' energy: -31.319
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -20.401
tors. eta vs tors. theta energy: 7.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -526.212099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.212099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.212099 (E_RNA)
where:
Base-Base interactions energy: -381.599
where: short stacking energy: -158.238
Base-Backbone interact. energy: -0.297
local terms energy: -144.315474
where:
bonds (distance) C4'-P energy: -24.069
bonds (distance) P-C4' energy: -29.069
flat angles C4'-P-C4' energy: -29.767
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: -43.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -520.024966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.024966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.024966 (E_RNA)
where:
Base-Base interactions energy: -372.119
where: short stacking energy: -156.943
Base-Backbone interact. energy: -0.104
local terms energy: -147.801936
where:
bonds (distance) C4'-P energy: -28.409
bonds (distance) P-C4' energy: -18.860
flat angles C4'-P-C4' energy: -33.281
flat angles P-C4'-P energy: -19.565
tors. eta vs tors. theta energy: -47.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -513.549985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.549985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.549985 (E_RNA)
where:
Base-Base interactions energy: -372.439
where: short stacking energy: -138.520
Base-Backbone interact. energy: -0.522
local terms energy: -140.588495
where:
bonds (distance) C4'-P energy: -23.599
bonds (distance) P-C4' energy: -27.933
flat angles C4'-P-C4' energy: -30.884
flat angles P-C4'-P energy: -20.268
tors. eta vs tors. theta energy: -37.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -520.219136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.219136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.219136 (E_RNA)
where:
Base-Base interactions energy: -354.989
where: short stacking energy: -154.429
Base-Backbone interact. energy: -0.230
local terms energy: -164.999693
where:
bonds (distance) C4'-P energy: -30.008
bonds (distance) P-C4' energy: -29.980
flat angles C4'-P-C4' energy: -33.956
flat angles P-C4'-P energy: -23.121
tors. eta vs tors. theta energy: -47.935
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: 340
Temperature: 1.100000
Total energy: -452.563922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.563922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.563922 (E_RNA)
where:
Base-Base interactions energy: -322.046
where: short stacking energy: -138.829
Base-Backbone interact. energy: -0.610
local terms energy: -129.907114
where:
bonds (distance) C4'-P energy: -22.044
bonds (distance) P-C4' energy: -26.649
flat angles C4'-P-C4' energy: -27.208
flat angles P-C4'-P energy: -19.173
tors. eta vs tors. theta energy: -34.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -440.557316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.557316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.557316 (E_RNA)
where:
Base-Base interactions energy: -309.074
where: short stacking energy: -135.449
Base-Backbone interact. energy: 1.429
local terms energy: -132.912255
where:
bonds (distance) C4'-P energy: -24.681
bonds (distance) P-C4' energy: -24.676
flat angles C4'-P-C4' energy: -26.783
flat angles P-C4'-P energy: -17.573
tors. eta vs tors. theta energy: -39.199
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: 340
Temperature: 1.200000
Total energy: -403.941600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.941600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.941600 (E_RNA)
where:
Base-Base interactions energy: -266.768
where: short stacking energy: -117.661
Base-Backbone interact. energy: -0.061
local terms energy: -137.112099
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -25.027
flat angles C4'-P-C4' energy: -26.908
flat angles P-C4'-P energy: -23.517
tors. eta vs tors. theta energy: -38.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -311.898876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.898876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.898876 (E_RNA)
where:
Base-Base interactions energy: -201.020
where: short stacking energy: -91.687
Base-Backbone interact. energy: -0.121
local terms energy: -110.758075
where:
bonds (distance) C4'-P energy: -27.320
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -27.503
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -24.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -208.757867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.757867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.757867 (E_RNA)
where:
Base-Base interactions energy: -108.277
where: short stacking energy: -65.252
Base-Backbone interact. energy: -0.413
local terms energy: -100.067753
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -31.288
flat angles C4'-P-C4' energy: -28.929
flat angles P-C4'-P energy: -18.069
tors. eta vs tors. theta energy: -4.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -135.919226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.919226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.919226 (E_RNA)
where:
Base-Base interactions energy: -46.358
where: short stacking energy: -46.358
Base-Backbone interact. energy: -1.330
local terms energy: -88.230953
where:
bonds (distance) C4'-P energy: -27.676
bonds (distance) P-C4' energy: -29.471
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -528.863150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.863150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.863150 (E_RNA)
where:
Base-Base interactions energy: -372.198
where: short stacking energy: -157.891
Base-Backbone interact. energy: -0.595
local terms energy: -156.070433
where:
bonds (distance) C4'-P energy: -28.053
bonds (distance) P-C4' energy: -31.207
flat angles C4'-P-C4' energy: -28.916
flat angles P-C4'-P energy: -21.213
tors. eta vs tors. theta energy: -46.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -520.596076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.596076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.596076 (E_RNA)
where:
Base-Base interactions energy: -366.579
where: short stacking energy: -148.002
Base-Backbone interact. energy: -0.019
local terms energy: -153.998496
where:
bonds (distance) C4'-P energy: -27.199
bonds (distance) P-C4' energy: -31.479
flat angles C4'-P-C4' energy: -28.586
flat angles P-C4'-P energy: -21.609
tors. eta vs tors. theta energy: -45.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -514.568069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.568069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.568069 (E_RNA)
where:
Base-Base interactions energy: -360.220
where: short stacking energy: -150.718
Base-Backbone interact. energy: -0.004
local terms energy: -154.344505
where:
bonds (distance) C4'-P energy: -25.257
bonds (distance) P-C4' energy: -29.172
flat angles C4'-P-C4' energy: -32.429
flat angles P-C4'-P energy: -20.154
tors. eta vs tors. theta energy: -47.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -506.391836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.391836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.391836 (E_RNA)
where:
Base-Base interactions energy: -359.328
where: short stacking energy: -141.025
Base-Backbone interact. energy: -0.123
local terms energy: -146.940440
where:
bonds (distance) C4'-P energy: -27.760
bonds (distance) P-C4' energy: -28.181
flat angles C4'-P-C4' energy: -28.909
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: -45.005
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: 9
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -456.719964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.719964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.719964 (E_RNA)
where:
Base-Base interactions energy: -321.836
where: short stacking energy: -135.278
Base-Backbone interact. energy: -0.029
local terms energy: -134.854879
where:
bonds (distance) C4'-P energy: -22.480
bonds (distance) P-C4' energy: -26.453
flat angles C4'-P-C4' energy: -27.024
flat angles P-C4'-P energy: -21.676
tors. eta vs tors. theta energy: -37.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -448.145904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.145904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.145904 (E_RNA)
where:
Base-Base interactions energy: -308.775
where: short stacking energy: -134.440
Base-Backbone interact. energy: -0.604
local terms energy: -138.767630
where:
bonds (distance) C4'-P energy: -24.985
bonds (distance) P-C4' energy: -31.928
flat angles C4'-P-C4' energy: -23.052
flat angles P-C4'-P energy: -19.811
tors. eta vs tors. theta energy: -38.991
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: 7, replica: 3
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -401.464649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.464649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.464649 (E_RNA)
where:
Base-Base interactions energy: -278.997
where: short stacking energy: -129.466
Base-Backbone interact. energy: -0.061
local terms energy: -122.406175
where:
bonds (distance) C4'-P energy: -24.508
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -24.301
flat angles P-C4'-P energy: -21.935
tors. eta vs tors. theta energy: -37.697
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: 341
Temperature: 1.250000
Total energy: -347.462144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.462144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.462144 (E_RNA)
where:
Base-Base interactions energy: -225.204
where: short stacking energy: -102.658
Base-Backbone interact. energy: 0.592
local terms energy: -122.850294
where:
bonds (distance) C4'-P energy: -22.870
bonds (distance) P-C4' energy: -26.839
flat angles C4'-P-C4' energy: -27.608
flat angles P-C4'-P energy: -19.083
tors. eta vs tors. theta energy: -26.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -221.958394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.958394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.958394 (E_RNA)
where:
Base-Base interactions energy: -124.970
where: short stacking energy: -67.942
Base-Backbone interact. energy: 0.052
local terms energy: -97.039857
where:
bonds (distance) C4'-P energy: -27.109
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -25.741
flat angles P-C4'-P energy: -16.724
tors. eta vs tors. theta energy: -8.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -141.417920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.417920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.417920 (E_RNA)
where:
Base-Base interactions energy: -50.222
where: short stacking energy: -49.939
Base-Backbone interact. energy: -0.201
local terms energy: -90.994652
where:
bonds (distance) C4'-P energy: -24.971
bonds (distance) P-C4' energy: -27.921
flat angles C4'-P-C4' energy: -32.551
flat angles P-C4'-P energy: -4.784
tors. eta vs tors. theta energy: -0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -535.748114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.748114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.748114 (E_RNA)
where:
Base-Base interactions energy: -370.222
where: short stacking energy: -153.706
Base-Backbone interact. energy: -0.225
local terms energy: -165.300617
where:
bonds (distance) C4'-P energy: -28.232
bonds (distance) P-C4' energy: -27.420
flat angles C4'-P-C4' energy: -34.578
flat angles P-C4'-P energy: -26.480
tors. eta vs tors. theta energy: -48.591
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: 342
Temperature: 0.950000
Total energy: -523.076610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.076610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.076610 (E_RNA)
where:
Base-Base interactions energy: -370.821
where: short stacking energy: -155.577
Base-Backbone interact. energy: -0.352
local terms energy: -151.903639
where:
bonds (distance) C4'-P energy: -30.509
bonds (distance) P-C4' energy: -24.795
flat angles C4'-P-C4' energy: -27.455
flat angles P-C4'-P energy: -24.223
tors. eta vs tors. theta energy: -44.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -515.400213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.400213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.400213 (E_RNA)
where:
Base-Base interactions energy: -360.403
where: short stacking energy: -142.614
Base-Backbone interact. energy: 0.154
local terms energy: -155.151685
where:
bonds (distance) C4'-P energy: -28.255
bonds (distance) P-C4' energy: -32.024
flat angles C4'-P-C4' energy: -21.790
flat angles P-C4'-P energy: -26.928
tors. eta vs tors. theta energy: -46.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -505.339236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.339236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.339236 (E_RNA)
where:
Base-Base interactions energy: -353.978
where: short stacking energy: -142.583
Base-Backbone interact. energy: 0.216
local terms energy: -151.577355
where:
bonds (distance) C4'-P energy: -28.349
bonds (distance) P-C4' energy: -27.934
flat angles C4'-P-C4' energy: -28.724
flat angles P-C4'-P energy: -19.663
tors. eta vs tors. theta energy: -46.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -459.083001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.083001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.083001 (E_RNA)
where:
Base-Base interactions energy: -328.508
where: short stacking energy: -130.732
Base-Backbone interact. energy: -0.260
local terms energy: -130.315037
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -26.124
flat angles C4'-P-C4' energy: -30.262
flat angles P-C4'-P energy: -19.706
tors. eta vs tors. theta energy: -36.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -437.587278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.587278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.587278 (E_RNA)
where:
Base-Base interactions energy: -289.949
where: short stacking energy: -134.125
Base-Backbone interact. energy: -1.208
local terms energy: -146.430175
where:
bonds (distance) C4'-P energy: -28.154
bonds (distance) P-C4' energy: -26.895
flat angles C4'-P-C4' energy: -32.300
flat angles P-C4'-P energy: -19.716
tors. eta vs tors. theta energy: -39.365
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: 7, replica: 1
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -345.868282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.868282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.868282 (E_RNA)
where:
Base-Base interactions energy: -232.829
where: short stacking energy: -111.779
Base-Backbone interact. energy: -0.079
local terms energy: -112.960980
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -26.665
flat angles C4'-P-C4' energy: -27.363
flat angles P-C4'-P energy: -17.133
tors. eta vs tors. theta energy: -28.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -417.293900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.293900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.293900 (E_RNA)
where:
Base-Base interactions energy: -283.646
where: short stacking energy: -118.554
Base-Backbone interact. energy: -0.267
local terms energy: -133.380448
where:
bonds (distance) C4'-P energy: -26.003
bonds (distance) P-C4' energy: -24.005
flat angles C4'-P-C4' energy: -26.990
flat angles P-C4'-P energy: -20.634
tors. eta vs tors. theta energy: -35.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -198.440408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.440408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.440408 (E_RNA)
where:
Base-Base interactions energy: -111.014
where: short stacking energy: -58.564
Base-Backbone interact. energy: -0.402
local terms energy: -87.024189
where:
bonds (distance) C4'-P energy: -25.489
bonds (distance) P-C4' energy: -19.683
flat angles C4'-P-C4' energy: -26.685
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -137.764882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.764882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.764882 (E_RNA)
where:
Base-Base interactions energy: -52.827
where: short stacking energy: -52.827
Base-Backbone interact. energy: 0.733
local terms energy: -85.671145
where:
bonds (distance) C4'-P energy: -26.466
bonds (distance) P-C4' energy: -19.797
flat angles C4'-P-C4' energy: -27.042
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: 1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -530.740060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.740060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.740060 (E_RNA)
where:
Base-Base interactions energy: -370.639
where: short stacking energy: -153.324
Base-Backbone interact. energy: -0.700
local terms energy: -159.401259
where:
bonds (distance) C4'-P energy: -28.950
bonds (distance) P-C4' energy: -27.857
flat angles C4'-P-C4' energy: -33.738
flat angles P-C4'-P energy: -21.313
tors. eta vs tors. theta energy: -47.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -516.742885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.742885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.742885 (E_RNA)
where:
Base-Base interactions energy: -361.291
where: short stacking energy: -150.039
Base-Backbone interact. energy: -0.500
local terms energy: -154.951749
where:
bonds (distance) C4'-P energy: -30.276
bonds (distance) P-C4' energy: -30.252
flat angles C4'-P-C4' energy: -29.778
flat angles P-C4'-P energy: -17.090
tors. eta vs tors. theta energy: -47.556
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: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -520.231409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.231409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.231409 (E_RNA)
where:
Base-Base interactions energy: -368.495
where: short stacking energy: -154.086
Base-Backbone interact. energy: -0.779
local terms energy: -150.957186
where:
bonds (distance) C4'-P energy: -21.466
bonds (distance) P-C4' energy: -26.234
flat angles C4'-P-C4' energy: -32.764
flat angles P-C4'-P energy: -23.566
tors. eta vs tors. theta energy: -46.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -508.930764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.930764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.930764 (E_RNA)
where:
Base-Base interactions energy: -360.576
where: short stacking energy: -156.782
Base-Backbone interact. energy: -0.070
local terms energy: -148.284475
where:
bonds (distance) C4'-P energy: -22.800
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -31.929
flat angles P-C4'-P energy: -24.323
tors. eta vs tors. theta energy: -47.328
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: 9
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -465.376701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.376701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.376701 (E_RNA)
where:
Base-Base interactions energy: -316.724
where: short stacking energy: -133.872
Base-Backbone interact. energy: -0.390
local terms energy: -148.262629
where:
bonds (distance) C4'-P energy: -28.720
bonds (distance) P-C4' energy: -32.718
flat angles C4'-P-C4' energy: -27.139
flat angles P-C4'-P energy: -21.909
tors. eta vs tors. theta energy: -37.776
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: 6, replica: 6
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -441.694902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.694902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.694902 (E_RNA)
where:
Base-Base interactions energy: -308.170
where: short stacking energy: -138.291
Base-Backbone interact. energy: 1.592
local terms energy: -135.117279
where:
bonds (distance) C4'-P energy: -23.034
bonds (distance) P-C4' energy: -26.956
flat angles C4'-P-C4' energy: -29.203
flat angles P-C4'-P energy: -17.071
tors. eta vs tors. theta energy: -38.853
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: 343
Temperature: 1.200000
Total energy: -361.164071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.164071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.164071 (E_RNA)
where:
Base-Base interactions energy: -249.356
where: short stacking energy: -103.266
Base-Backbone interact. energy: -0.993
local terms energy: -110.815210
where:
bonds (distance) C4'-P energy: -24.461
bonds (distance) P-C4' energy: -25.601
flat angles C4'-P-C4' energy: -24.052
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -23.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -385.154199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.154199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.154199 (E_RNA)
where:
Base-Base interactions energy: -256.152
where: short stacking energy: -117.426
Base-Backbone interact. energy: -0.140
local terms energy: -128.862103
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -28.542
flat angles C4'-P-C4' energy: -27.205
flat angles P-C4'-P energy: -17.033
tors. eta vs tors. theta energy: -35.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -202.719636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.719636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.719636 (E_RNA)
where:
Base-Base interactions energy: -109.112
where: short stacking energy: -57.829
Base-Backbone interact. energy: -1.117
local terms energy: -92.490576
where:
bonds (distance) C4'-P energy: -23.869
bonds (distance) P-C4' energy: -22.210
flat angles C4'-P-C4' energy: -24.292
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: -6.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -141.768614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.768614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.768614 (E_RNA)
where:
Base-Base interactions energy: -53.846
where: short stacking energy: -51.370
Base-Backbone interact. energy: -0.364
local terms energy: -87.558186
where:
bonds (distance) C4'-P energy: -20.890
bonds (distance) P-C4' energy: -31.178
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -16.031
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: 8
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -532.426090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.426090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.426090 (E_RNA)
where:
Base-Base interactions energy: -370.212
where: short stacking energy: -154.048
Base-Backbone interact. energy: -0.827
local terms energy: -161.387024
where:
bonds (distance) C4'-P energy: -30.037
bonds (distance) P-C4' energy: -28.995
flat angles C4'-P-C4' energy: -32.251
flat angles P-C4'-P energy: -21.241
tors. eta vs tors. theta energy: -48.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -519.456912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.456912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.456912 (E_RNA)
where:
Base-Base interactions energy: -360.577
where: short stacking energy: -157.369
Base-Backbone interact. energy: -0.052
local terms energy: -158.827216
where:
bonds (distance) C4'-P energy: -25.265
bonds (distance) P-C4' energy: -32.204
flat angles C4'-P-C4' energy: -34.400
flat angles P-C4'-P energy: -17.640
tors. eta vs tors. theta energy: -49.318
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: 10
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -519.421149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.421149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.421149 (E_RNA)
where:
Base-Base interactions energy: -368.509
where: short stacking energy: -161.517
Base-Backbone interact. energy: -0.599
local terms energy: -150.312573
where:
bonds (distance) C4'-P energy: -25.183
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -31.204
flat angles P-C4'-P energy: -24.426
tors. eta vs tors. theta energy: -48.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -521.244349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.244349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.244349 (E_RNA)
where:
Base-Base interactions energy: -362.652
where: short stacking energy: -144.916
Base-Backbone interact. energy: 0.093
local terms energy: -158.685884
where:
bonds (distance) C4'-P energy: -23.547
bonds (distance) P-C4' energy: -31.672
flat angles C4'-P-C4' energy: -32.292
flat angles P-C4'-P energy: -29.438
tors. eta vs tors. theta energy: -41.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -433.221275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.221275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.221275 (E_RNA)
where:
Base-Base interactions energy: -291.957
where: short stacking energy: -134.613
Base-Backbone interact. energy: -1.223
local terms energy: -140.040631
where:
bonds (distance) C4'-P energy: -26.277
bonds (distance) P-C4' energy: -23.988
flat angles C4'-P-C4' energy: -31.000
flat angles P-C4'-P energy: -22.395
tors. eta vs tors. theta energy: -36.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -449.029197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.029197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.029197 (E_RNA)
where:
Base-Base interactions energy: -309.715
where: short stacking energy: -130.040
Base-Backbone interact. energy: -0.596
local terms energy: -138.718413
where:
bonds (distance) C4'-P energy: -30.846
bonds (distance) P-C4' energy: -23.737
flat angles C4'-P-C4' energy: -28.732
flat angles P-C4'-P energy: -19.966
tors. eta vs tors. theta energy: -35.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -403.730313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.730313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.730313 (E_RNA)
where:
Base-Base interactions energy: -276.747
where: short stacking energy: -121.737
Base-Backbone interact. energy: 0.157
local terms energy: -127.140157
where:
bonds (distance) C4'-P energy: -28.444
bonds (distance) P-C4' energy: -26.931
flat angles C4'-P-C4' energy: -27.710
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -32.644
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: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -356.009930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.009930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.009930 (E_RNA)
where:
Base-Base interactions energy: -243.281
where: short stacking energy: -101.754
Base-Backbone interact. energy: 0.437
local terms energy: -113.166558
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -23.212
flat angles C4'-P-C4' energy: -29.727
flat angles P-C4'-P energy: -15.291
tors. eta vs tors. theta energy: -24.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -136.322536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.322536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.322536 (E_RNA)
where:
Base-Base interactions energy: -49.915
where: short stacking energy: -46.388
Base-Backbone interact. energy: 0.847
local terms energy: -87.254260
where:
bonds (distance) C4'-P energy: -25.050
bonds (distance) P-C4' energy: -24.561
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -8.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -213.874643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.874643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.874643 (E_RNA)
where:
Base-Base interactions energy: -120.528
where: short stacking energy: -61.061
Base-Backbone interact. energy: -0.435
local terms energy: -92.911677
where:
bonds (distance) C4'-P energy: -28.201
bonds (distance) P-C4' energy: -24.058
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -11.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -535.447241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.447241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.447241 (E_RNA)
where:
Base-Base interactions energy: -376.538
where: short stacking energy: -153.754
Base-Backbone interact. energy: -0.004
local terms energy: -158.905949
where:
bonds (distance) C4'-P energy: -28.071
bonds (distance) P-C4' energy: -32.957
flat angles C4'-P-C4' energy: -32.545
flat angles P-C4'-P energy: -18.939
tors. eta vs tors. theta energy: -46.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -527.447443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.447443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.447443 (E_RNA)
where:
Base-Base interactions energy: -375.100
where: short stacking energy: -154.867
Base-Backbone interact. energy: -0.375
local terms energy: -151.972057
where:
bonds (distance) C4'-P energy: -26.193
bonds (distance) P-C4' energy: -29.500
flat angles C4'-P-C4' energy: -32.519
flat angles P-C4'-P energy: -24.324
tors. eta vs tors. theta energy: -39.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -509.710348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.710348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.710348 (E_RNA)
where:
Base-Base interactions energy: -363.802
where: short stacking energy: -159.081
Base-Backbone interact. energy: -0.042
local terms energy: -145.866703
where:
bonds (distance) C4'-P energy: -25.761
bonds (distance) P-C4' energy: -23.575
flat angles C4'-P-C4' energy: -30.914
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: -47.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -495.742096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.742096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.742096 (E_RNA)
where:
Base-Base interactions energy: -351.584
where: short stacking energy: -142.410
Base-Backbone interact. energy: -0.052
local terms energy: -144.105627
where:
bonds (distance) C4'-P energy: -21.433
bonds (distance) P-C4' energy: -29.600
flat angles C4'-P-C4' energy: -30.346
flat angles P-C4'-P energy: -20.810
tors. eta vs tors. theta energy: -41.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -425.944894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.944894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.944894 (E_RNA)
where:
Base-Base interactions energy: -303.236
where: short stacking energy: -130.955
Base-Backbone interact. energy: -0.312
local terms energy: -122.396736
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -25.872
flat angles P-C4'-P energy: -22.641
tors. eta vs tors. theta energy: -39.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -402.336823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.336823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.336823 (E_RNA)
where:
Base-Base interactions energy: -253.485
where: short stacking energy: -120.758
Base-Backbone interact. energy: -0.835
local terms energy: -148.017177
where:
bonds (distance) C4'-P energy: -24.174
bonds (distance) P-C4' energy: -26.393
flat angles C4'-P-C4' energy: -30.589
flat angles P-C4'-P energy: -24.080
tors. eta vs tors. theta energy: -42.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -433.560774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.560774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.560774 (E_RNA)
where:
Base-Base interactions energy: -303.049
where: short stacking energy: -131.685
Base-Backbone interact. energy: -0.159
local terms energy: -130.353124
where:
bonds (distance) C4'-P energy: -22.922
bonds (distance) P-C4' energy: -29.763
flat angles C4'-P-C4' energy: -23.044
flat angles P-C4'-P energy: -17.170
tors. eta vs tors. theta energy: -37.454
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: 1
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -351.709035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.709035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.709035 (E_RNA)
where:
Base-Base interactions energy: -247.198
where: short stacking energy: -113.921
Base-Backbone interact. energy: -0.598
local terms energy: -103.913544
where:
bonds (distance) C4'-P energy: -20.108
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -22.397
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -29.745
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: 4
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -133.233568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.233568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.233568 (E_RNA)
where:
Base-Base interactions energy: -42.272
where: short stacking energy: -41.771
Base-Backbone interact. energy: -0.192
local terms energy: -90.769371
where:
bonds (distance) C4'-P energy: -20.999
bonds (distance) P-C4' energy: -24.215
flat angles C4'-P-C4' energy: -23.713
flat angles P-C4'-P energy: -19.559
tors. eta vs tors. theta energy: -2.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -205.583392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.583392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.583392 (E_RNA)
where:
Base-Base interactions energy: -111.128
where: short stacking energy: -62.069
Base-Backbone interact. energy: 0.674
local terms energy: -95.129427
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -24.094
flat angles C4'-P-C4' energy: -23.753
flat angles P-C4'-P energy: -16.001
tors. eta vs tors. theta energy: -12.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -538.246247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.246247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.246247 (E_RNA)
where:
Base-Base interactions energy: -375.778
where: short stacking energy: -163.726
Base-Backbone interact. energy: -0.026
local terms energy: -162.442366
where:
bonds (distance) C4'-P energy: -30.768
bonds (distance) P-C4' energy: -32.379
flat angles C4'-P-C4' energy: -24.869
flat angles P-C4'-P energy: -24.582
tors. eta vs tors. theta energy: -49.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -520.451548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.451548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.451548 (E_RNA)
where:
Base-Base interactions energy: -367.100
where: short stacking energy: -153.492
Base-Backbone interact. energy: -0.015
local terms energy: -153.336963
where:
bonds (distance) C4'-P energy: -28.032
bonds (distance) P-C4' energy: -28.828
flat angles C4'-P-C4' energy: -30.224
flat angles P-C4'-P energy: -20.671
tors. eta vs tors. theta energy: -45.582
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: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -516.979396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.979396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.979396 (E_RNA)
where:
Base-Base interactions energy: -367.734
where: short stacking energy: -152.706
Base-Backbone interact. energy: -0.066
local terms energy: -149.179838
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -27.778
flat angles C4'-P-C4' energy: -30.964
flat angles P-C4'-P energy: -24.242
tors. eta vs tors. theta energy: -45.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -520.309468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.309468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.309468 (E_RNA)
where:
Base-Base interactions energy: -372.931
where: short stacking energy: -157.489
Base-Backbone interact. energy: 0.091
local terms energy: -147.469544
where:
bonds (distance) C4'-P energy: -26.753
bonds (distance) P-C4' energy: -24.926
flat angles C4'-P-C4' energy: -29.609
flat angles P-C4'-P energy: -21.578
tors. eta vs tors. theta energy: -44.604
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: 346
Temperature: 1.100000
Total energy: -445.456258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.456258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.456258 (E_RNA)
where:
Base-Base interactions energy: -310.815
where: short stacking energy: -143.702
Base-Backbone interact. energy: -0.036
local terms energy: -134.605636
where:
bonds (distance) C4'-P energy: -22.170
bonds (distance) P-C4' energy: -27.638
flat angles C4'-P-C4' energy: -26.187
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -41.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -426.506315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.506315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.506315 (E_RNA)
where:
Base-Base interactions energy: -289.469
where: short stacking energy: -122.919
Base-Backbone interact. energy: -0.040
local terms energy: -136.997888
where:
bonds (distance) C4'-P energy: -28.962
bonds (distance) P-C4' energy: -25.576
flat angles C4'-P-C4' energy: -28.074
flat angles P-C4'-P energy: -16.932
tors. eta vs tors. theta energy: -37.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -398.837815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.837815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.837815 (E_RNA)
where:
Base-Base interactions energy: -281.698
where: short stacking energy: -114.524
Base-Backbone interact. energy: 0.696
local terms energy: -117.835436
where:
bonds (distance) C4'-P energy: -21.052
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -27.210
flat angles P-C4'-P energy: -22.313
tors. eta vs tors. theta energy: -27.487
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: 9
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -453.970098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.970098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.970098 (E_RNA)
where:
Base-Base interactions energy: -321.988
where: short stacking energy: -138.595
Base-Backbone interact. energy: -0.148
local terms energy: -131.833385
where:
bonds (distance) C4'-P energy: -23.819
bonds (distance) P-C4' energy: -20.667
flat angles C4'-P-C4' energy: -31.309
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -39.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -210.627913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.627913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.627913 (E_RNA)
where:
Base-Base interactions energy: -116.826
where: short stacking energy: -64.027
Base-Backbone interact. energy: -0.159
local terms energy: -93.643009
where:
bonds (distance) C4'-P energy: -26.220
bonds (distance) P-C4' energy: -25.802
flat angles C4'-P-C4' energy: -19.166
flat angles P-C4'-P energy: -15.115
tors. eta vs tors. theta energy: -7.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -230.877544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.877544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.877544 (E_RNA)
where:
Base-Base interactions energy: -136.629
where: short stacking energy: -57.824
Base-Backbone interact. energy: -0.288
local terms energy: -93.960125
where:
bonds (distance) C4'-P energy: -22.323
bonds (distance) P-C4' energy: -21.438
flat angles C4'-P-C4' energy: -25.496
flat angles P-C4'-P energy: -16.100
tors. eta vs tors. theta energy: -8.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -540.171383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.171383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.171383 (E_RNA)
where:
Base-Base interactions energy: -387.419
where: short stacking energy: -155.195
Base-Backbone interact. energy: -0.484
local terms energy: -152.268738
where:
bonds (distance) C4'-P energy: -23.145
bonds (distance) P-C4' energy: -26.241
flat angles C4'-P-C4' energy: -32.118
flat angles P-C4'-P energy: -23.424
tors. eta vs tors. theta energy: -47.341
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: 2, replica: 10
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -530.132778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.132778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.132778 (E_RNA)
where:
Base-Base interactions energy: -379.099
where: short stacking energy: -149.656
Base-Backbone interact. energy: -0.087
local terms energy: -150.947456
where:
bonds (distance) C4'-P energy: -29.113
bonds (distance) P-C4' energy: -27.641
flat angles C4'-P-C4' energy: -28.861
flat angles P-C4'-P energy: -22.300
tors. eta vs tors. theta energy: -43.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -503.958020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.958020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.958020 (E_RNA)
where:
Base-Base interactions energy: -351.127
where: short stacking energy: -139.460
Base-Backbone interact. energy: 0.182
local terms energy: -153.013516
where:
bonds (distance) C4'-P energy: -27.117
bonds (distance) P-C4' energy: -29.130
flat angles C4'-P-C4' energy: -31.441
flat angles P-C4'-P energy: -18.661
tors. eta vs tors. theta energy: -46.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -521.436048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.436048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.436048 (E_RNA)
where:
Base-Base interactions energy: -368.937
where: short stacking energy: -155.196
Base-Backbone interact. energy: -0.570
local terms energy: -151.928435
where:
bonds (distance) C4'-P energy: -26.881
bonds (distance) P-C4' energy: -28.378
flat angles C4'-P-C4' energy: -32.064
flat angles P-C4'-P energy: -19.024
tors. eta vs tors. theta energy: -45.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -440.140407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.140407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.140407 (E_RNA)
where:
Base-Base interactions energy: -298.903
where: short stacking energy: -137.231
Base-Backbone interact. energy: -0.699
local terms energy: -140.538738
where:
bonds (distance) C4'-P energy: -26.224
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -30.360
flat angles P-C4'-P energy: -18.929
tors. eta vs tors. theta energy: -40.888
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: 347
Temperature: 1.150000
Total energy: -424.824574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.824574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.824574 (E_RNA)
where:
Base-Base interactions energy: -284.943
where: short stacking energy: -133.639
Base-Backbone interact. energy: -0.183
local terms energy: -139.698351
where:
bonds (distance) C4'-P energy: -26.938
bonds (distance) P-C4' energy: -26.608
flat angles C4'-P-C4' energy: -27.604
flat angles P-C4'-P energy: -18.518
tors. eta vs tors. theta energy: -40.031
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: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -370.057892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.057892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.057892 (E_RNA)
where:
Base-Base interactions energy: -251.594
where: short stacking energy: -110.399
Base-Backbone interact. energy: -0.396
local terms energy: -118.067345
where:
bonds (distance) C4'-P energy: -23.585
bonds (distance) P-C4' energy: -26.077
flat angles C4'-P-C4' energy: -31.415
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -29.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -427.266835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.266835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.266835 (E_RNA)
where:
Base-Base interactions energy: -309.525
where: short stacking energy: -116.465
Base-Backbone interact. energy: -0.161
local terms energy: -117.580200
where:
bonds (distance) C4'-P energy: -23.827
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -22.996
tors. eta vs tors. theta energy: -28.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -226.538432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.538432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.538432 (E_RNA)
where:
Base-Base interactions energy: -135.430
where: short stacking energy: -79.905
Base-Backbone interact. energy: -0.266
local terms energy: -90.842582
where:
bonds (distance) C4'-P energy: -21.845
bonds (distance) P-C4' energy: -27.146
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -14.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -278.216458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.216458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.216458 (E_RNA)
where:
Base-Base interactions energy: -167.977
where: short stacking energy: -73.502
Base-Backbone interact. energy: -0.362
local terms energy: -109.877144
where:
bonds (distance) C4'-P energy: -26.230
bonds (distance) P-C4' energy: -26.399
flat angles C4'-P-C4' energy: -25.512
flat angles P-C4'-P energy: -17.473
tors. eta vs tors. theta energy: -14.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -533.472159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.472159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.472159 (E_RNA)
where:
Base-Base interactions energy: -382.797
where: short stacking energy: -147.828
Base-Backbone interact. energy: -0.773
local terms energy: -149.901735
where:
bonds (distance) C4'-P energy: -24.078
bonds (distance) P-C4' energy: -26.189
flat angles C4'-P-C4' energy: -31.336
flat angles P-C4'-P energy: -22.810
tors. eta vs tors. theta energy: -45.488
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: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -536.756372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.756372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.756372 (E_RNA)
where:
Base-Base interactions energy: -368.612
where: short stacking energy: -155.826
Base-Backbone interact. energy: -0.341
local terms energy: -167.802949
where:
bonds (distance) C4'-P energy: -30.102
bonds (distance) P-C4' energy: -29.989
flat angles C4'-P-C4' energy: -30.762
flat angles P-C4'-P energy: -28.898
tors. eta vs tors. theta energy: -48.053
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: 3, replica: 2
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -510.285456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.285456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.285456 (E_RNA)
where:
Base-Base interactions energy: -356.434
where: short stacking energy: -144.136
Base-Backbone interact. energy: -0.200
local terms energy: -153.651414
where:
bonds (distance) C4'-P energy: -29.213
bonds (distance) P-C4' energy: -28.806
flat angles C4'-P-C4' energy: -30.513
flat angles P-C4'-P energy: -22.253
tors. eta vs tors. theta energy: -42.866
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: 5
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -505.017556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.017556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.017556 (E_RNA)
where:
Base-Base interactions energy: -357.516
where: short stacking energy: -151.598
Base-Backbone interact. energy: -0.157
local terms energy: -147.344833
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -25.502
flat angles C4'-P-C4' energy: -32.096
flat angles P-C4'-P energy: -23.447
tors. eta vs tors. theta energy: -46.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -446.699205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.699205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.699205 (E_RNA)
where:
Base-Base interactions energy: -311.487
where: short stacking energy: -132.011
Base-Backbone interact. energy: -1.285
local terms energy: -133.927402
where:
bonds (distance) C4'-P energy: -25.281
bonds (distance) P-C4' energy: -23.570
flat angles C4'-P-C4' energy: -28.481
flat angles P-C4'-P energy: -17.016
tors. eta vs tors. theta energy: -39.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -423.586500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.586500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.586500 (E_RNA)
where:
Base-Base interactions energy: -275.502
where: short stacking energy: -128.213
Base-Backbone interact. energy: -0.077
local terms energy: -148.007449
where:
bonds (distance) C4'-P energy: -28.734
bonds (distance) P-C4' energy: -30.173
flat angles C4'-P-C4' energy: -30.301
flat angles P-C4'-P energy: -18.138
tors. eta vs tors. theta energy: -40.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -432.579492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.579492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.579492 (E_RNA)
where:
Base-Base interactions energy: -313.966
where: short stacking energy: -134.459
Base-Backbone interact. energy: 1.205
local terms energy: -119.818434
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -23.139
flat angles C4'-P-C4' energy: -27.510
flat angles P-C4'-P energy: -21.887
tors. eta vs tors. theta energy: -35.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -394.916258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.916258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.916258 (E_RNA)
where:
Base-Base interactions energy: -278.192
where: short stacking energy: -121.340
Base-Backbone interact. energy: -0.632
local terms energy: -116.092490
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -28.301
flat angles C4'-P-C4' energy: -25.610
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -34.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -305.830742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.830742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.830742 (E_RNA)
where:
Base-Base interactions energy: -194.309
where: short stacking energy: -90.224
Base-Backbone interact. energy: -0.232
local terms energy: -111.289816
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -28.885
flat angles C4'-P-C4' energy: -26.539
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -17.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -225.963978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.963978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.963978 (E_RNA)
where:
Base-Base interactions energy: -127.187
where: short stacking energy: -74.430
Base-Backbone interact. energy: -0.846
local terms energy: -97.931713
where:
bonds (distance) C4'-P energy: -24.326
bonds (distance) P-C4' energy: -18.900
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -16.210
tors. eta vs tors. theta energy: -18.360
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: 10
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -536.564562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.564562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.564562 (E_RNA)
where:
Base-Base interactions energy: -382.579
where: short stacking energy: -157.453
Base-Backbone interact. energy: -0.458
local terms energy: -153.527830
where:
bonds (distance) C4'-P energy: -28.705
bonds (distance) P-C4' energy: -29.010
flat angles C4'-P-C4' energy: -27.340
flat angles P-C4'-P energy: -23.678
tors. eta vs tors. theta energy: -44.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -526.425221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.425221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.425221 (E_RNA)
where:
Base-Base interactions energy: -368.978
where: short stacking energy: -152.800
Base-Backbone interact. energy: -0.011
local terms energy: -157.436191
where:
bonds (distance) C4'-P energy: -23.746
bonds (distance) P-C4' energy: -27.584
flat angles C4'-P-C4' energy: -31.992
flat angles P-C4'-P energy: -23.429
tors. eta vs tors. theta energy: -50.686
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: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -511.460778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.460778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.460778 (E_RNA)
where:
Base-Base interactions energy: -358.602
where: short stacking energy: -148.641
Base-Backbone interact. energy: -0.003
local terms energy: -152.855708
where:
bonds (distance) C4'-P energy: -29.622
bonds (distance) P-C4' energy: -22.466
flat angles C4'-P-C4' energy: -31.159
flat angles P-C4'-P energy: -21.773
tors. eta vs tors. theta energy: -47.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -499.749184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.749184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.749184 (E_RNA)
where:
Base-Base interactions energy: -355.643
where: short stacking energy: -156.629
Base-Backbone interact. energy: 1.486
local terms energy: -145.592226
where:
bonds (distance) C4'-P energy: -22.769
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -29.528
flat angles P-C4'-P energy: -23.197
tors. eta vs tors. theta energy: -46.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -439.153638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.153638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.153638 (E_RNA)
where:
Base-Base interactions energy: -289.421
where: short stacking energy: -134.148
Base-Backbone interact. energy: -0.356
local terms energy: -149.376474
where:
bonds (distance) C4'-P energy: -24.280
bonds (distance) P-C4' energy: -26.664
flat angles C4'-P-C4' energy: -31.978
flat angles P-C4'-P energy: -25.269
tors. eta vs tors. theta energy: -41.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -435.267481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.267481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.267481 (E_RNA)
where:
Base-Base interactions energy: -312.555
where: short stacking energy: -131.857
Base-Backbone interact. energy: -0.007
local terms energy: -122.705995
where:
bonds (distance) C4'-P energy: -22.036
bonds (distance) P-C4' energy: -28.713
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -18.058
tors. eta vs tors. theta energy: -30.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -412.527432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.527432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.527432 (E_RNA)
where:
Base-Base interactions energy: -284.888
where: short stacking energy: -118.148
Base-Backbone interact. energy: -0.265
local terms energy: -127.374928
where:
bonds (distance) C4'-P energy: -26.790
bonds (distance) P-C4' energy: -27.621
flat angles C4'-P-C4' energy: -27.876
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -29.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -401.713990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.713990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.713990 (E_RNA)
where:
Base-Base interactions energy: -273.101
where: short stacking energy: -121.978
Base-Backbone interact. energy: -0.245
local terms energy: -128.368203
where:
bonds (distance) C4'-P energy: -25.349
bonds (distance) P-C4' energy: -22.625
flat angles C4'-P-C4' energy: -30.896
flat angles P-C4'-P energy: -20.051
tors. eta vs tors. theta energy: -29.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -300.626080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.626080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.626080 (E_RNA)
where:
Base-Base interactions energy: -195.227
where: short stacking energy: -76.918
Base-Backbone interact. energy: -0.131
local terms energy: -105.268259
where:
bonds (distance) C4'-P energy: -20.512
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -22.921
flat angles P-C4'-P energy: -22.210
tors. eta vs tors. theta energy: -16.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -222.332155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.332155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.332155 (E_RNA)
where:
Base-Base interactions energy: -131.271
where: short stacking energy: -64.164
Base-Backbone interact. energy: -0.749
local terms energy: -90.311847
where:
bonds (distance) C4'-P energy: -29.135
bonds (distance) P-C4' energy: -25.451
flat angles C4'-P-C4' energy: -22.972
flat angles P-C4'-P energy: -11.122
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: 8
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -540.529181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.529181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.529181 (E_RNA)
where:
Base-Base interactions energy: -379.300
where: short stacking energy: -158.075
Base-Backbone interact. energy: -0.315
local terms energy: -160.914005
where:
bonds (distance) C4'-P energy: -33.525
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -32.261
flat angles P-C4'-P energy: -24.043
tors. eta vs tors. theta energy: -48.221
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: 2, replica: 10
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -525.278488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.278488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.278488 (E_RNA)
where:
Base-Base interactions energy: -376.940
where: short stacking energy: -153.298
Base-Backbone interact. energy: -0.153
local terms energy: -148.185265
where:
bonds (distance) C4'-P energy: -23.014
bonds (distance) P-C4' energy: -29.889
flat angles C4'-P-C4' energy: -28.931
flat angles P-C4'-P energy: -24.883
tors. eta vs tors. theta energy: -41.468
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: 350
Temperature: 1.000000
Total energy: -515.894173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.894173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.894173 (E_RNA)
where:
Base-Base interactions energy: -370.443
where: short stacking energy: -149.293
Base-Backbone interact. energy: -0.980
local terms energy: -144.471454
where:
bonds (distance) C4'-P energy: -24.935
bonds (distance) P-C4' energy: -24.370
flat angles C4'-P-C4' energy: -30.328
flat angles P-C4'-P energy: -22.741
tors. eta vs tors. theta energy: -42.098
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: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -496.095530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.095530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.095530 (E_RNA)
where:
Base-Base interactions energy: -342.769
where: short stacking energy: -144.682
Base-Backbone interact. energy: -0.093
local terms energy: -153.232837
where:
bonds (distance) C4'-P energy: -31.129
bonds (distance) P-C4' energy: -26.358
flat angles C4'-P-C4' energy: -25.534
flat angles P-C4'-P energy: -24.828
tors. eta vs tors. theta energy: -45.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -441.299022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.299022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.299022 (E_RNA)
where:
Base-Base interactions energy: -317.821
where: short stacking energy: -126.765
Base-Backbone interact. energy: -0.477
local terms energy: -123.001520
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -27.470
flat angles C4'-P-C4' energy: -26.662
flat angles P-C4'-P energy: -15.757
tors. eta vs tors. theta energy: -35.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -424.714311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.714311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.714311 (E_RNA)
where:
Base-Base interactions energy: -294.489
where: short stacking energy: -125.089
Base-Backbone interact. energy: -0.167
local terms energy: -130.058356
where:
bonds (distance) C4'-P energy: -27.410
bonds (distance) P-C4' energy: -23.123
flat angles C4'-P-C4' energy: -30.586
flat angles P-C4'-P energy: -16.479
tors. eta vs tors. theta energy: -32.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -413.735904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.735904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.735904 (E_RNA)
where:
Base-Base interactions energy: -272.468
where: short stacking energy: -116.216
Base-Backbone interact. energy: -1.031
local terms energy: -140.237254
where:
bonds (distance) C4'-P energy: -27.251
bonds (distance) P-C4' energy: -28.708
flat angles C4'-P-C4' energy: -33.137
flat angles P-C4'-P energy: -17.710
tors. eta vs tors. theta energy: -33.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -365.907446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.907446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.907446 (E_RNA)
where:
Base-Base interactions energy: -255.736
where: short stacking energy: -95.082
Base-Backbone interact. energy: -1.294
local terms energy: -108.876490
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -31.126
flat angles C4'-P-C4' energy: -22.034
flat angles P-C4'-P energy: -17.905
tors. eta vs tors. theta energy: -21.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -322.014275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.014275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.014275 (E_RNA)
where:
Base-Base interactions energy: -203.197
where: short stacking energy: -92.680
Base-Backbone interact. energy: -0.286
local terms energy: -118.531608
where:
bonds (distance) C4'-P energy: -27.525
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -30.643
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -23.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -235.260420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.260420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.260420 (E_RNA)
where:
Base-Base interactions energy: -126.611
where: short stacking energy: -72.516
Base-Backbone interact. energy: -0.121
local terms energy: -108.528899
where:
bonds (distance) C4'-P energy: -27.953
bonds (distance) P-C4' energy: -27.532
flat angles C4'-P-C4' energy: -19.680
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -21.263
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: 8
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -533.593329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.593329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.593329 (E_RNA)
where:
Base-Base interactions energy: -366.844
where: short stacking energy: -155.342
Base-Backbone interact. energy: -0.011
local terms energy: -166.738233
where:
bonds (distance) C4'-P energy: -32.805
bonds (distance) P-C4' energy: -33.338
flat angles C4'-P-C4' energy: -28.401
flat angles P-C4'-P energy: -23.439
tors. eta vs tors. theta energy: -48.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -525.642534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.642534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.642534 (E_RNA)
where:
Base-Base interactions energy: -368.852
where: short stacking energy: -157.431
Base-Backbone interact. energy: -0.709
local terms energy: -156.081454
where:
bonds (distance) C4'-P energy: -26.705
bonds (distance) P-C4' energy: -24.463
flat angles C4'-P-C4' energy: -33.821
flat angles P-C4'-P energy: -22.856
tors. eta vs tors. theta energy: -48.236
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: 10
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -514.534265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.534265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.534265 (E_RNA)
where:
Base-Base interactions energy: -363.828
where: short stacking energy: -150.269
Base-Backbone interact. energy: -0.095
local terms energy: -150.611867
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -30.291
flat angles C4'-P-C4' energy: -33.833
flat angles P-C4'-P energy: -22.935
tors. eta vs tors. theta energy: -44.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -501.990834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.990834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.990834 (E_RNA)
where:
Base-Base interactions energy: -346.618
where: short stacking energy: -156.729
Base-Backbone interact. energy: -2.681
local terms energy: -152.691656
where:
bonds (distance) C4'-P energy: -25.423
bonds (distance) P-C4' energy: -25.369
flat angles C4'-P-C4' energy: -30.165
flat angles P-C4'-P energy: -23.828
tors. eta vs tors. theta energy: -47.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -463.652784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.652784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.652784 (E_RNA)
where:
Base-Base interactions energy: -326.526
where: short stacking energy: -131.090
Base-Backbone interact. energy: -0.285
local terms energy: -136.841545
where:
bonds (distance) C4'-P energy: -23.992
bonds (distance) P-C4' energy: -25.043
flat angles C4'-P-C4' energy: -28.875
flat angles P-C4'-P energy: -21.161
tors. eta vs tors. theta energy: -37.771
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: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -439.058760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.058760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.058760 (E_RNA)
where:
Base-Base interactions energy: -304.760
where: short stacking energy: -119.627
Base-Backbone interact. energy: -0.292
local terms energy: -134.006742
where:
bonds (distance) C4'-P energy: -28.372
bonds (distance) P-C4' energy: -22.108
flat angles C4'-P-C4' energy: -30.057
flat angles P-C4'-P energy: -18.620
tors. eta vs tors. theta energy: -34.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -378.780955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.780955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.780955 (E_RNA)
where:
Base-Base interactions energy: -269.281
where: short stacking energy: -117.572
Base-Backbone interact. energy: -0.662
local terms energy: -108.838463
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -28.828
flat angles P-C4'-P energy: -17.836
tors. eta vs tors. theta energy: -25.991
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: 351
Temperature: 1.250000
Total energy: -373.714453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.714453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.714453 (E_RNA)
where:
Base-Base interactions energy: -251.545
where: short stacking energy: -117.014
Base-Backbone interact. energy: -0.975
local terms energy: -121.194621
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -24.568
flat angles C4'-P-C4' energy: -23.264
flat angles P-C4'-P energy: -18.064
tors. eta vs tors. theta energy: -34.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -337.148173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.148173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.148173 (E_RNA)
where:
Base-Base interactions energy: -219.928
where: short stacking energy: -109.438
Base-Backbone interact. energy: 0.517
local terms energy: -117.736982
where:
bonds (distance) C4'-P energy: -26.197
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -23.746
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: 10, replica: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -213.842854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.842854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.842854 (E_RNA)
where:
Base-Base interactions energy: -123.587
where: short stacking energy: -52.604
Base-Backbone interact. energy: -0.105
local terms energy: -90.150695
where:
bonds (distance) C4'-P energy: -31.789
bonds (distance) P-C4' energy: -25.330
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -12.354
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: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -529.780747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.780747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.780747 (E_RNA)
where:
Base-Base interactions energy: -366.624
where: short stacking energy: -153.791
Base-Backbone interact. energy: -0.037
local terms energy: -163.119428
where:
bonds (distance) C4'-P energy: -27.617
bonds (distance) P-C4' energy: -26.750
flat angles C4'-P-C4' energy: -33.533
flat angles P-C4'-P energy: -25.969
tors. eta vs tors. theta energy: -49.251
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: 8
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -528.740498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.740498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.740498 (E_RNA)
where:
Base-Base interactions energy: -368.260
where: short stacking energy: -158.779
Base-Backbone interact. energy: -0.649
local terms energy: -159.830880
where:
bonds (distance) C4'-P energy: -32.601
bonds (distance) P-C4' energy: -31.148
flat angles C4'-P-C4' energy: -28.940
flat angles P-C4'-P energy: -21.822
tors. eta vs tors. theta energy: -45.319
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: 5
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -505.654536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.654536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.654536 (E_RNA)
where:
Base-Base interactions energy: -350.693
where: short stacking energy: -162.312
Base-Backbone interact. energy: -1.261
local terms energy: -153.700539
where:
bonds (distance) C4'-P energy: -22.109
bonds (distance) P-C4' energy: -29.481
flat angles C4'-P-C4' energy: -32.277
flat angles P-C4'-P energy: -22.067
tors. eta vs tors. theta energy: -47.766
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: 10
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -508.064930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.064930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.064930 (E_RNA)
where:
Base-Base interactions energy: -362.548
where: short stacking energy: -139.718
Base-Backbone interact. energy: -0.075
local terms energy: -145.441949
where:
bonds (distance) C4'-P energy: -27.130
bonds (distance) P-C4' energy: -26.852
flat angles C4'-P-C4' energy: -27.985
flat angles P-C4'-P energy: -20.710
tors. eta vs tors. theta energy: -42.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -450.697542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.697542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.697542 (E_RNA)
where:
Base-Base interactions energy: -321.049
where: short stacking energy: -119.537
Base-Backbone interact. energy: -0.404
local terms energy: -129.244518
where:
bonds (distance) C4'-P energy: -25.295
bonds (distance) P-C4' energy: -22.945
flat angles C4'-P-C4' energy: -26.697
flat angles P-C4'-P energy: -20.510
tors. eta vs tors. theta energy: -33.798
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: 6, replica: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -429.610022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.610022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.610022 (E_RNA)
where:
Base-Base interactions energy: -293.449
where: short stacking energy: -122.803
Base-Backbone interact. energy: -0.722
local terms energy: -135.439052
where:
bonds (distance) C4'-P energy: -25.495
bonds (distance) P-C4' energy: -26.817
flat angles C4'-P-C4' energy: -27.090
flat angles P-C4'-P energy: -17.961
tors. eta vs tors. theta energy: -38.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -397.667061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.667061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.667061 (E_RNA)
where:
Base-Base interactions energy: -271.541
where: short stacking energy: -109.685
Base-Backbone interact. energy: 0.895
local terms energy: -127.021102
where:
bonds (distance) C4'-P energy: -22.280
bonds (distance) P-C4' energy: -26.580
flat angles C4'-P-C4' energy: -25.645
flat angles P-C4'-P energy: -19.909
tors. eta vs tors. theta energy: -32.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -370.669567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.669567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.669567 (E_RNA)
where:
Base-Base interactions energy: -271.315
where: short stacking energy: -113.857
Base-Backbone interact. energy: 2.290
local terms energy: -101.644767
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -23.574
flat angles P-C4'-P energy: -20.067
tors. eta vs tors. theta energy: -24.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -321.635347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.635347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.635347 (E_RNA)
where:
Base-Base interactions energy: -211.885
where: short stacking energy: -101.272
Base-Backbone interact. energy: 3.209
local terms energy: -112.959393
where:
bonds (distance) C4'-P energy: -23.688
bonds (distance) P-C4' energy: -25.472
flat angles C4'-P-C4' energy: -25.865
flat angles P-C4'-P energy: -18.108
tors. eta vs tors. theta energy: -19.826
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: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -190.429845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.429845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.429845 (E_RNA)
where:
Base-Base interactions energy: -100.539
where: short stacking energy: -51.570
Base-Backbone interact. energy: -0.857
local terms energy: -89.033954
where:
bonds (distance) C4'-P energy: -20.249
bonds (distance) P-C4' energy: -26.533
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -12.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -530.432571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.432571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.432571 (E_RNA)
where:
Base-Base interactions energy: -373.312
where: short stacking energy: -158.705
Base-Backbone interact. energy: -0.022
local terms energy: -157.098583
where:
bonds (distance) C4'-P energy: -24.876
bonds (distance) P-C4' energy: -25.779
flat angles C4'-P-C4' energy: -32.251
flat angles P-C4'-P energy: -24.375
tors. eta vs tors. theta energy: -49.818
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: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -522.744401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.744401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.744401 (E_RNA)
where:
Base-Base interactions energy: -373.745
where: short stacking energy: -154.097
Base-Backbone interact. energy: -0.100
local terms energy: -148.899796
where:
bonds (distance) C4'-P energy: -22.976
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -30.090
flat angles P-C4'-P energy: -23.566
tors. eta vs tors. theta energy: -48.130
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: 5
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -516.278267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.278267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.278267 (E_RNA)
where:
Base-Base interactions energy: -359.457
where: short stacking energy: -155.244
Base-Backbone interact. energy: -0.062
local terms energy: -156.758816
where:
bonds (distance) C4'-P energy: -24.775
bonds (distance) P-C4' energy: -31.307
flat angles C4'-P-C4' energy: -32.631
flat angles P-C4'-P energy: -21.785
tors. eta vs tors. theta energy: -46.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -503.266558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.266558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.266558 (E_RNA)
where:
Base-Base interactions energy: -360.139
where: short stacking energy: -149.518
Base-Backbone interact. energy: -0.020
local terms energy: -143.107561
where:
bonds (distance) C4'-P energy: -20.939
bonds (distance) P-C4' energy: -25.083
flat angles C4'-P-C4' energy: -34.169
flat angles P-C4'-P energy: -17.412
tors. eta vs tors. theta energy: -45.505
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: 9
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -443.361477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.361477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.361477 (E_RNA)
where:
Base-Base interactions energy: -301.935
where: short stacking energy: -115.412
Base-Backbone interact. energy: -0.860
local terms energy: -140.566178
where:
bonds (distance) C4'-P energy: -25.319
bonds (distance) P-C4' energy: -31.307
flat angles C4'-P-C4' energy: -26.757
flat angles P-C4'-P energy: -23.333
tors. eta vs tors. theta energy: -33.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -451.604161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.604161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.604161 (E_RNA)
where:
Base-Base interactions energy: -303.877
where: short stacking energy: -137.942
Base-Backbone interact. energy: -0.102
local terms energy: -147.625337
where:
bonds (distance) C4'-P energy: -29.240
bonds (distance) P-C4' energy: -29.469
flat angles C4'-P-C4' energy: -26.623
flat angles P-C4'-P energy: -19.418
tors. eta vs tors. theta energy: -42.876
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: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -409.590860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.590860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.590860 (E_RNA)
where:
Base-Base interactions energy: -290.096
where: short stacking energy: -134.889
Base-Backbone interact. energy: -0.187
local terms energy: -119.308048
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -22.665
flat angles C4'-P-C4' energy: -26.160
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -36.616
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: 8, replica: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -382.616603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.616603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.616603 (E_RNA)
where:
Base-Base interactions energy: -269.877
where: short stacking energy: -95.923
Base-Backbone interact. energy: -0.535
local terms energy: -112.204517
where:
bonds (distance) C4'-P energy: -19.939
bonds (distance) P-C4' energy: -25.922
flat angles C4'-P-C4' energy: -26.363
flat angles P-C4'-P energy: -21.706
tors. eta vs tors. theta energy: -18.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -319.080280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.080280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.080280 (E_RNA)
where:
Base-Base interactions energy: -213.814
where: short stacking energy: -92.661
Base-Backbone interact. energy: -0.636
local terms energy: -104.631108
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -25.093
flat angles C4'-P-C4' energy: -24.848
flat angles P-C4'-P energy: -20.988
tors. eta vs tors. theta energy: -19.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -202.048693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.048693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.048693 (E_RNA)
where:
Base-Base interactions energy: -105.048
where: short stacking energy: -64.857
Base-Backbone interact. energy: -0.193
local terms energy: -96.807206
where:
bonds (distance) C4'-P energy: -30.189
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -10.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -529.080108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.080108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.080108 (E_RNA)
where:
Base-Base interactions energy: -375.834
where: short stacking energy: -157.800
Base-Backbone interact. energy: -0.280
local terms energy: -152.965419
where:
bonds (distance) C4'-P energy: -28.239
bonds (distance) P-C4' energy: -24.602
flat angles C4'-P-C4' energy: -31.683
flat angles P-C4'-P energy: -21.136
tors. eta vs tors. theta energy: -47.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -531.986035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.986035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.986035 (E_RNA)
where:
Base-Base interactions energy: -375.690
where: short stacking energy: -155.250
Base-Backbone interact. energy: -0.612
local terms energy: -155.683547
where:
bonds (distance) C4'-P energy: -20.908
bonds (distance) P-C4' energy: -31.953
flat angles C4'-P-C4' energy: -33.847
flat angles P-C4'-P energy: -24.310
tors. eta vs tors. theta energy: -44.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -524.951002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.951002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.951002 (E_RNA)
where:
Base-Base interactions energy: -367.033
where: short stacking energy: -156.502
Base-Backbone interact. energy: -0.571
local terms energy: -157.347421
where:
bonds (distance) C4'-P energy: -28.941
bonds (distance) P-C4' energy: -20.561
flat angles C4'-P-C4' energy: -34.746
flat angles P-C4'-P energy: -24.847
tors. eta vs tors. theta energy: -48.253
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: 5
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -498.117246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.117246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.117246 (E_RNA)
where:
Base-Base interactions energy: -354.172
where: short stacking energy: -151.495
Base-Backbone interact. energy: -0.290
local terms energy: -143.654745
where:
bonds (distance) C4'-P energy: -23.751
bonds (distance) P-C4' energy: -20.815
flat angles C4'-P-C4' energy: -31.968
flat angles P-C4'-P energy: -19.919
tors. eta vs tors. theta energy: -47.201
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: 5, replica: 6
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -448.323143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.323143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.323143 (E_RNA)
where:
Base-Base interactions energy: -303.367
where: short stacking energy: -122.661
Base-Backbone interact. energy: -0.915
local terms energy: -144.041804
where:
bonds (distance) C4'-P energy: -25.783
bonds (distance) P-C4' energy: -27.148
flat angles C4'-P-C4' energy: -32.080
flat angles P-C4'-P energy: -22.742
tors. eta vs tors. theta energy: -36.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -430.773796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.773796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.773796 (E_RNA)
where:
Base-Base interactions energy: -303.523
where: short stacking energy: -124.044
Base-Backbone interact. energy: -0.414
local terms energy: -126.836289
where:
bonds (distance) C4'-P energy: -25.538
bonds (distance) P-C4' energy: -26.551
flat angles C4'-P-C4' energy: -31.093
flat angles P-C4'-P energy: -13.782
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: 7, replica: 3
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -394.114163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.114163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.114163 (E_RNA)
where:
Base-Base interactions energy: -261.491
where: short stacking energy: -124.069
Base-Backbone interact. energy: -0.311
local terms energy: -132.312181
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -27.394
flat angles C4'-P-C4' energy: -28.357
flat angles P-C4'-P energy: -18.102
tors. eta vs tors. theta energy: -39.802
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: 8, replica: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -415.002152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.002152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.002152 (E_RNA)
where:
Base-Base interactions energy: -307.283
where: short stacking energy: -122.301
Base-Backbone interact. energy: -1.003
local terms energy: -106.716449
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -19.880
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -16.821
tors. eta vs tors. theta energy: -30.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -320.329080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.329080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.329080 (E_RNA)
where:
Base-Base interactions energy: -212.237
where: short stacking energy: -86.744
Base-Backbone interact. energy: -0.155
local terms energy: -107.936283
where:
bonds (distance) C4'-P energy: -24.527
bonds (distance) P-C4' energy: -28.876
flat angles C4'-P-C4' energy: -21.549
flat angles P-C4'-P energy: -10.570
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: 10, replica: 7
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -216.270803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.270803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.270803 (E_RNA)
where:
Base-Base interactions energy: -131.890
where: short stacking energy: -62.108
Base-Backbone interact. energy: -0.457
local terms energy: -83.923019
where:
bonds (distance) C4'-P energy: -20.469
bonds (distance) P-C4' energy: -23.740
flat angles C4'-P-C4' energy: -24.758
flat angles P-C4'-P energy: -2.727
tors. eta vs tors. theta energy: -12.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -539.275835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.275835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.275835 (E_RNA)
where:
Base-Base interactions energy: -378.743
where: short stacking energy: -160.265
Base-Backbone interact. energy: -0.005
local terms energy: -160.527956
where:
bonds (distance) C4'-P energy: -23.486
bonds (distance) P-C4' energy: -33.732
flat angles C4'-P-C4' energy: -30.871
flat angles P-C4'-P energy: -26.139
tors. eta vs tors. theta energy: -46.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -533.790383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.790383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.790383 (E_RNA)
where:
Base-Base interactions energy: -370.798
where: short stacking energy: -160.536
Base-Backbone interact. energy: -0.467
local terms energy: -162.525652
where:
bonds (distance) C4'-P energy: -30.978
bonds (distance) P-C4' energy: -27.379
flat angles C4'-P-C4' energy: -30.150
flat angles P-C4'-P energy: -25.902
tors. eta vs tors. theta energy: -48.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -520.652634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.652634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.652634 (E_RNA)
where:
Base-Base interactions energy: -370.079
where: short stacking energy: -158.010
Base-Backbone interact. energy: -0.297
local terms energy: -150.277425
where:
bonds (distance) C4'-P energy: -30.868
bonds (distance) P-C4' energy: -28.083
flat angles C4'-P-C4' energy: -30.850
flat angles P-C4'-P energy: -17.719
tors. eta vs tors. theta energy: -42.757
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: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -500.197453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.197453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.197453 (E_RNA)
where:
Base-Base interactions energy: -356.290
where: short stacking energy: -154.015
Base-Backbone interact. energy: -0.166
local terms energy: -143.740902
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -28.904
flat angles C4'-P-C4' energy: -31.948
flat angles P-C4'-P energy: -21.422
tors. eta vs tors. theta energy: -44.404
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: 355
Temperature: 1.100000
Total energy: -445.333653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.333653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.333653 (E_RNA)
where:
Base-Base interactions energy: -303.184
where: short stacking energy: -136.252
Base-Backbone interact. energy: -0.253
local terms energy: -141.896759
where:
bonds (distance) C4'-P energy: -25.212
bonds (distance) P-C4' energy: -25.237
flat angles C4'-P-C4' energy: -26.526
flat angles P-C4'-P energy: -23.805
tors. eta vs tors. theta energy: -41.117
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: 9
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -448.625649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.625649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.625649 (E_RNA)
where:
Base-Base interactions energy: -306.579
where: short stacking energy: -131.010
Base-Backbone interact. energy: -0.218
local terms energy: -141.829139
where:
bonds (distance) C4'-P energy: -27.775
bonds (distance) P-C4' energy: -24.485
flat angles C4'-P-C4' energy: -29.717
flat angles P-C4'-P energy: -22.412
tors. eta vs tors. theta energy: -37.440
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: 3
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -393.047616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.047616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.047616 (E_RNA)
where:
Base-Base interactions energy: -263.833
where: short stacking energy: -115.158
Base-Backbone interact. energy: 0.078
local terms energy: -129.292688
where:
bonds (distance) C4'-P energy: -27.165
bonds (distance) P-C4' energy: -27.873
flat angles C4'-P-C4' energy: -26.257
flat angles P-C4'-P energy: -19.718
tors. eta vs tors. theta energy: -28.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -410.278963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.278963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.278963 (E_RNA)
where:
Base-Base interactions energy: -288.106
where: short stacking energy: -105.051
Base-Backbone interact. energy: -1.474
local terms energy: -120.699062
where:
bonds (distance) C4'-P energy: -27.120
bonds (distance) P-C4' energy: -25.304
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -17.259
tors. eta vs tors. theta energy: -28.648
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: 9, replica: 4
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -328.414867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.414867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.414867 (E_RNA)
where:
Base-Base interactions energy: -224.595
where: short stacking energy: -89.060
Base-Backbone interact. energy: -0.324
local terms energy: -103.495239
where:
bonds (distance) C4'-P energy: -22.025
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -20.070
flat angles P-C4'-P energy: -22.474
tors. eta vs tors. theta energy: -16.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -222.461466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.461466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.461466 (E_RNA)
where:
Base-Base interactions energy: -114.505
where: short stacking energy: -59.325
Base-Backbone interact. energy: -1.128
local terms energy: -106.828135
where:
bonds (distance) C4'-P energy: -30.593
bonds (distance) P-C4' energy: -25.410
flat angles C4'-P-C4' energy: -21.377
flat angles P-C4'-P energy: -21.754
tors. eta vs tors. theta energy: -7.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -536.269364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.269364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.269364 (E_RNA)
where:
Base-Base interactions energy: -374.813
where: short stacking energy: -156.449
Base-Backbone interact. energy: 0.363
local terms energy: -161.819593
where:
bonds (distance) C4'-P energy: -26.945
bonds (distance) P-C4' energy: -26.404
flat angles C4'-P-C4' energy: -33.606
flat angles P-C4'-P energy: -27.000
tors. eta vs tors. theta energy: -47.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -524.158987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.158987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.158987 (E_RNA)
where:
Base-Base interactions energy: -374.773
where: short stacking energy: -161.221
Base-Backbone interact. energy: -0.033
local terms energy: -149.353751
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -27.027
flat angles C4'-P-C4' energy: -32.901
flat angles P-C4'-P energy: -22.537
tors. eta vs tors. theta energy: -47.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -527.084743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.084743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.084743 (E_RNA)
where:
Base-Base interactions energy: -376.877
where: short stacking energy: -146.101
Base-Backbone interact. energy: -0.382
local terms energy: -149.825359
where:
bonds (distance) C4'-P energy: -29.893
bonds (distance) P-C4' energy: -26.002
flat angles C4'-P-C4' energy: -30.576
flat angles P-C4'-P energy: -19.770
tors. eta vs tors. theta energy: -43.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -508.734147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.734147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.734147 (E_RNA)
where:
Base-Base interactions energy: -354.489
where: short stacking energy: -147.399
Base-Backbone interact. energy: -0.184
local terms energy: -154.061272
where:
bonds (distance) C4'-P energy: -30.797
bonds (distance) P-C4' energy: -27.885
flat angles C4'-P-C4' energy: -31.535
flat angles P-C4'-P energy: -18.914
tors. eta vs tors. theta energy: -44.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -459.420739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.420739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.420739 (E_RNA)
where:
Base-Base interactions energy: -326.634
where: short stacking energy: -141.015
Base-Backbone interact. energy: -1.130
local terms energy: -131.657538
where:
bonds (distance) C4'-P energy: -25.345
bonds (distance) P-C4' energy: -23.916
flat angles C4'-P-C4' energy: -26.106
flat angles P-C4'-P energy: -22.774
tors. eta vs tors. theta energy: -33.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -458.466391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.466391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.466391 (E_RNA)
where:
Base-Base interactions energy: -304.786
where: short stacking energy: -136.302
Base-Backbone interact. energy: -1.321
local terms energy: -152.359047
where:
bonds (distance) C4'-P energy: -27.625
bonds (distance) P-C4' energy: -29.550
flat angles C4'-P-C4' energy: -30.088
flat angles P-C4'-P energy: -24.880
tors. eta vs tors. theta energy: -40.216
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: 7, replica: 1
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -428.568199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.568199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.568199 (E_RNA)
where:
Base-Base interactions energy: -304.893
where: short stacking energy: -113.172
Base-Backbone interact. energy: -0.289
local terms energy: -123.385981
where:
bonds (distance) C4'-P energy: -22.896
bonds (distance) P-C4' energy: -27.956
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -14.801
tors. eta vs tors. theta energy: -35.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -401.119584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.119584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.119584 (E_RNA)
where:
Base-Base interactions energy: -272.267
where: short stacking energy: -107.624
Base-Backbone interact. energy: -0.278
local terms energy: -128.574437
where:
bonds (distance) C4'-P energy: -28.938
bonds (distance) P-C4' energy: -24.572
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -22.702
tors. eta vs tors. theta energy: -31.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -321.864062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.864062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.864062 (E_RNA)
where:
Base-Base interactions energy: -213.347
where: short stacking energy: -91.473
Base-Backbone interact. energy: 0.044
local terms energy: -108.561010
where:
bonds (distance) C4'-P energy: -22.774
bonds (distance) P-C4' energy: -23.605
flat angles C4'-P-C4' energy: -19.433
flat angles P-C4'-P energy: -21.005
tors. eta vs tors. theta energy: -21.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -205.269424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.269424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.269424 (E_RNA)
where:
Base-Base interactions energy: -109.927
where: short stacking energy: -64.148
Base-Backbone interact. energy: -0.599
local terms energy: -94.743987
where:
bonds (distance) C4'-P energy: -23.638
bonds (distance) P-C4' energy: -20.354
flat angles C4'-P-C4' energy: -22.025
flat angles P-C4'-P energy: -18.097
tors. eta vs tors. theta energy: -10.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -536.839275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.839275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.839275 (E_RNA)
where:
Base-Base interactions energy: -378.965
where: short stacking energy: -163.270
Base-Backbone interact. energy: -0.002
local terms energy: -157.871895
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -26.584
flat angles C4'-P-C4' energy: -34.488
flat angles P-C4'-P energy: -26.747
tors. eta vs tors. theta energy: -48.465
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: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -529.281909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.281909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.281909 (E_RNA)
where:
Base-Base interactions energy: -370.725
where: short stacking energy: -156.746
Base-Backbone interact. energy: -0.012
local terms energy: -158.544929
where:
bonds (distance) C4'-P energy: -29.063
bonds (distance) P-C4' energy: -23.521
flat angles C4'-P-C4' energy: -34.907
flat angles P-C4'-P energy: -23.335
tors. eta vs tors. theta energy: -47.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -520.717238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.717238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.717238 (E_RNA)
where:
Base-Base interactions energy: -365.942
where: short stacking energy: -156.205
Base-Backbone interact. energy: -0.037
local terms energy: -154.738597
where:
bonds (distance) C4'-P energy: -27.593
bonds (distance) P-C4' energy: -22.610
flat angles C4'-P-C4' energy: -32.018
flat angles P-C4'-P energy: -25.251
tors. eta vs tors. theta energy: -47.267
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: 4, replica: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -503.315731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.315731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.315731 (E_RNA)
where:
Base-Base interactions energy: -374.421
where: short stacking energy: -143.175
Base-Backbone interact. energy: -0.218
local terms energy: -128.676840
where:
bonds (distance) C4'-P energy: -23.255
bonds (distance) P-C4' energy: -20.875
flat angles C4'-P-C4' energy: -31.027
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -44.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -456.464252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.464252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.464252 (E_RNA)
where:
Base-Base interactions energy: -316.357
where: short stacking energy: -136.813
Base-Backbone interact. energy: -1.095
local terms energy: -139.012729
where:
bonds (distance) C4'-P energy: -29.049
bonds (distance) P-C4' energy: -22.429
flat angles C4'-P-C4' energy: -29.879
flat angles P-C4'-P energy: -21.675
tors. eta vs tors. theta energy: -35.980
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: 357
Temperature: 1.150000
Total energy: -444.883753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.883753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.883753 (E_RNA)
where:
Base-Base interactions energy: -304.795
where: short stacking energy: -124.326
Base-Backbone interact. energy: 0.064
local terms energy: -140.152462
where:
bonds (distance) C4'-P energy: -25.410
bonds (distance) P-C4' energy: -25.094
flat angles C4'-P-C4' energy: -27.860
flat angles P-C4'-P energy: -21.225
tors. eta vs tors. theta energy: -40.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -382.817666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.817666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.817666 (E_RNA)
where:
Base-Base interactions energy: -260.546
where: short stacking energy: -98.992
Base-Backbone interact. energy: -1.085
local terms energy: -121.187375
where:
bonds (distance) C4'-P energy: -26.744
bonds (distance) P-C4' energy: -24.959
flat angles C4'-P-C4' energy: -29.924
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -26.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -405.402520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.402520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.402520 (E_RNA)
where:
Base-Base interactions energy: -269.156
where: short stacking energy: -117.657
Base-Backbone interact. energy: -0.315
local terms energy: -135.932111
where:
bonds (distance) C4'-P energy: -25.568
bonds (distance) P-C4' energy: -26.268
flat angles C4'-P-C4' energy: -26.296
flat angles P-C4'-P energy: -22.228
tors. eta vs tors. theta energy: -35.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -313.934465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.934465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.934465 (E_RNA)
where:
Base-Base interactions energy: -207.205
where: short stacking energy: -85.948
Base-Backbone interact. energy: 0.017
local terms energy: -106.746666
where:
bonds (distance) C4'-P energy: -24.106
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -27.021
flat angles P-C4'-P energy: -15.956
tors. eta vs tors. theta energy: -16.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -185.338066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.338066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.338066 (E_RNA)
where:
Base-Base interactions energy: -88.387
where: short stacking energy: -44.977
Base-Backbone interact. energy: -0.088
local terms energy: -96.862482
where:
bonds (distance) C4'-P energy: -26.631
bonds (distance) P-C4' energy: -23.771
flat angles C4'-P-C4' energy: -25.784
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -7.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -537.779218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.779218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.779218 (E_RNA)
where:
Base-Base interactions energy: -373.336
where: short stacking energy: -160.702
Base-Backbone interact. energy: -0.340
local terms energy: -164.103005
where:
bonds (distance) C4'-P energy: -28.967
bonds (distance) P-C4' energy: -31.682
flat angles C4'-P-C4' energy: -28.033
flat angles P-C4'-P energy: -25.221
tors. eta vs tors. theta energy: -50.200
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: 10
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -528.538267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.538267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.538267 (E_RNA)
where:
Base-Base interactions energy: -364.825
where: short stacking energy: -149.847
Base-Backbone interact. energy: -0.195
local terms energy: -163.518114
where:
bonds (distance) C4'-P energy: -28.723
bonds (distance) P-C4' energy: -27.455
flat angles C4'-P-C4' energy: -33.372
flat angles P-C4'-P energy: -23.888
tors. eta vs tors. theta energy: -50.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -518.187508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.187508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.187508 (E_RNA)
where:
Base-Base interactions energy: -358.027
where: short stacking energy: -149.571
Base-Backbone interact. energy: -0.217
local terms energy: -159.943422
where:
bonds (distance) C4'-P energy: -24.360
bonds (distance) P-C4' energy: -29.278
flat angles C4'-P-C4' energy: -31.377
flat angles P-C4'-P energy: -25.674
tors. eta vs tors. theta energy: -49.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -509.127158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.127158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.127158 (E_RNA)
where:
Base-Base interactions energy: -354.127
where: short stacking energy: -149.732
Base-Backbone interact. energy: -0.007
local terms energy: -154.993373
where:
bonds (distance) C4'-P energy: -24.258
bonds (distance) P-C4' energy: -25.902
flat angles C4'-P-C4' energy: -34.485
flat angles P-C4'-P energy: -22.261
tors. eta vs tors. theta energy: -48.087
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: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -461.992667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.992667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.992667 (E_RNA)
where:
Base-Base interactions energy: -320.183
where: short stacking energy: -139.559
Base-Backbone interact. energy: -0.158
local terms energy: -141.652151
where:
bonds (distance) C4'-P energy: -23.323
bonds (distance) P-C4' energy: -25.540
flat angles C4'-P-C4' energy: -31.107
flat angles P-C4'-P energy: -20.356
tors. eta vs tors. theta energy: -41.326
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: 9
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -433.374364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.374364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.374364 (E_RNA)
where:
Base-Base interactions energy: -299.955
where: short stacking energy: -130.087
Base-Backbone interact. energy: 0.082
local terms energy: -133.501263
where:
bonds (distance) C4'-P energy: -26.107
bonds (distance) P-C4' energy: -21.987
flat angles C4'-P-C4' energy: -28.837
flat angles P-C4'-P energy: -18.082
tors. eta vs tors. theta energy: -38.488
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: 3
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -410.887210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.887210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.887210 (E_RNA)
where:
Base-Base interactions energy: -281.306
where: short stacking energy: -109.818
Base-Backbone interact. energy: -0.199
local terms energy: -129.382416
where:
bonds (distance) C4'-P energy: -24.115
bonds (distance) P-C4' energy: -22.993
flat angles C4'-P-C4' energy: -23.379
flat angles P-C4'-P energy: -19.898
tors. eta vs tors. theta energy: -38.998
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: 1
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -342.589543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.589543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.589543 (E_RNA)
where:
Base-Base interactions energy: -231.233
where: short stacking energy: -108.053
Base-Backbone interact. energy: -0.822
local terms energy: -110.533885
where:
bonds (distance) C4'-P energy: -18.956
bonds (distance) P-C4' energy: -25.668
flat angles C4'-P-C4' energy: -28.005
flat angles P-C4'-P energy: -17.524
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: 9, replica: 4
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -314.469299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.469299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.469299 (E_RNA)
where:
Base-Base interactions energy: -210.725
where: short stacking energy: -88.158
Base-Backbone interact. energy: -1.097
local terms energy: -102.646945
where:
bonds (distance) C4'-P energy: -18.791
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -24.959
flat angles P-C4'-P energy: -17.697
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: 10, replica: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -183.549267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.549267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.549267 (E_RNA)
where:
Base-Base interactions energy: -95.387
where: short stacking energy: -56.071
Base-Backbone interact. energy: -0.256
local terms energy: -87.906616
where:
bonds (distance) C4'-P energy: -19.782
bonds (distance) P-C4' energy: -27.835
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -12.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -538.654208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.654208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.654208 (E_RNA)
where:
Base-Base interactions energy: -373.436
where: short stacking energy: -161.052
Base-Backbone interact. energy: -0.007
local terms energy: -165.211123
where:
bonds (distance) C4'-P energy: -29.688
bonds (distance) P-C4' energy: -29.828
flat angles C4'-P-C4' energy: -30.623
flat angles P-C4'-P energy: -26.080
tors. eta vs tors. theta energy: -48.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -518.142070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.142070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.142070 (E_RNA)
where:
Base-Base interactions energy: -368.750
where: short stacking energy: -158.857
Base-Backbone interact. energy: -0.308
local terms energy: -149.083670
where:
bonds (distance) C4'-P energy: -23.352
bonds (distance) P-C4' energy: -26.590
flat angles C4'-P-C4' energy: -31.340
flat angles P-C4'-P energy: -20.781
tors. eta vs tors. theta energy: -47.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -524.476898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.476898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.476898 (E_RNA)
where:
Base-Base interactions energy: -370.834
where: short stacking energy: -154.331
Base-Backbone interact. energy: 0.874
local terms energy: -154.516838
where:
bonds (distance) C4'-P energy: -20.557
bonds (distance) P-C4' energy: -34.596
flat angles C4'-P-C4' energy: -31.986
flat angles P-C4'-P energy: -21.605
tors. eta vs tors. theta energy: -45.774
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: 8
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -526.152520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.152520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.152520 (E_RNA)
where:
Base-Base interactions energy: -380.066
where: short stacking energy: -148.323
Base-Backbone interact. energy: -0.236
local terms energy: -145.850524
where:
bonds (distance) C4'-P energy: -26.321
bonds (distance) P-C4' energy: -26.357
flat angles C4'-P-C4' energy: -32.213
flat angles P-C4'-P energy: -19.738
tors. eta vs tors. theta energy: -41.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -463.847768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.847768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.847768 (E_RNA)
where:
Base-Base interactions energy: -310.882
where: short stacking energy: -139.921
Base-Backbone interact. energy: -0.584
local terms energy: -152.381351
where:
bonds (distance) C4'-P energy: -28.904
bonds (distance) P-C4' energy: -25.404
flat angles C4'-P-C4' energy: -33.180
flat angles P-C4'-P energy: -22.986
tors. eta vs tors. theta energy: -41.906
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: 359
Temperature: 1.150000
Total energy: -438.286685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.286685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.286685 (E_RNA)
where:
Base-Base interactions energy: -302.347
where: short stacking energy: -135.303
Base-Backbone interact. energy: -0.245
local terms energy: -135.695106
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -29.730
flat angles C4'-P-C4' energy: -25.707
flat angles P-C4'-P energy: -22.118
tors. eta vs tors. theta energy: -37.140
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: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -461.430470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.430470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.430470 (E_RNA)
where:
Base-Base interactions energy: -335.027
where: short stacking energy: -128.999
Base-Backbone interact. energy: -0.011
local terms energy: -126.392914
where:
bonds (distance) C4'-P energy: -20.241
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -31.024
flat angles P-C4'-P energy: -19.019
tors. eta vs tors. theta energy: -37.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -328.441340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.441340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.441340 (E_RNA)
where:
Base-Base interactions energy: -224.458
where: short stacking energy: -90.646
Base-Backbone interact. energy: -0.857
local terms energy: -103.126326
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -30.793
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -24.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -337.844485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.844485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.844485 (E_RNA)
where:
Base-Base interactions energy: -220.599
where: short stacking energy: -90.514
Base-Backbone interact. energy: -0.425
local terms energy: -116.819830
where:
bonds (distance) C4'-P energy: -24.665
bonds (distance) P-C4' energy: -28.144
flat angles C4'-P-C4' energy: -30.277
flat angles P-C4'-P energy: -7.992
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: 10, replica: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -190.106688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.106688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.106688 (E_RNA)
where:
Base-Base interactions energy: -103.330
where: short stacking energy: -54.456
Base-Backbone interact. energy: -1.316
local terms energy: -85.460828
where:
bonds (distance) C4'-P energy: -21.603
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -27.109
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -4.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -540.503845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.503845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.503845 (E_RNA)
where:
Base-Base interactions energy: -383.319
where: short stacking energy: -163.643
Base-Backbone interact. energy: 0.051
local terms energy: -157.236172
where:
bonds (distance) C4'-P energy: -27.059
bonds (distance) P-C4' energy: -27.928
flat angles C4'-P-C4' energy: -33.023
flat angles P-C4'-P energy: -19.303
tors. eta vs tors. theta energy: -49.923
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: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -520.530366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.530366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.530366 (E_RNA)
where:
Base-Base interactions energy: -363.720
where: short stacking energy: -149.180
Base-Backbone interact. energy: 0.013
local terms energy: -156.822944
where:
bonds (distance) C4'-P energy: -26.385
bonds (distance) P-C4' energy: -30.821
flat angles C4'-P-C4' energy: -31.300
flat angles P-C4'-P energy: -22.503
tors. eta vs tors. theta energy: -45.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -509.718120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.718120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.718120 (E_RNA)
where:
Base-Base interactions energy: -363.965
where: short stacking energy: -138.026
Base-Backbone interact. energy: -0.139
local terms energy: -145.613933
where:
bonds (distance) C4'-P energy: -29.638
bonds (distance) P-C4' energy: -25.432
flat angles C4'-P-C4' energy: -29.293
flat angles P-C4'-P energy: -18.574
tors. eta vs tors. theta energy: -42.677
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: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -518.014542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.014542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.014542 (E_RNA)
where:
Base-Base interactions energy: -367.005
where: short stacking energy: -148.433
Base-Backbone interact. energy: -0.044
local terms energy: -150.965415
where:
bonds (distance) C4'-P energy: -26.797
bonds (distance) P-C4' energy: -28.406
flat angles C4'-P-C4' energy: -29.878
flat angles P-C4'-P energy: -23.933
tors. eta vs tors. theta energy: -41.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -469.840581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.840581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.840581 (E_RNA)
where:
Base-Base interactions energy: -323.572
where: short stacking energy: -140.802
Base-Backbone interact. energy: -0.166
local terms energy: -146.103271
where:
bonds (distance) C4'-P energy: -27.750
bonds (distance) P-C4' energy: -23.989
flat angles C4'-P-C4' energy: -35.098
flat angles P-C4'-P energy: -22.749
tors. eta vs tors. theta energy: -36.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -440.738920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.738920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.738920 (E_RNA)
where:
Base-Base interactions energy: -307.277
where: short stacking energy: -124.895
Base-Backbone interact. energy: -0.137
local terms energy: -133.325532
where:
bonds (distance) C4'-P energy: -25.153
bonds (distance) P-C4' energy: -30.093
flat angles C4'-P-C4' energy: -27.152
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -38.919
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: 9
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -434.966914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.966914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.966914 (E_RNA)
where:
Base-Base interactions energy: -312.344
where: short stacking energy: -127.861
Base-Backbone interact. energy: -0.525
local terms energy: -122.097709
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -22.602
flat angles C4'-P-C4' energy: -25.662
flat angles P-C4'-P energy: -18.920
tors. eta vs tors. theta energy: -37.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -364.241679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.241679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.241679 (E_RNA)
where:
Base-Base interactions energy: -246.968
where: short stacking energy: -98.032
Base-Backbone interact. energy: 2.174
local terms energy: -119.447182
where:
bonds (distance) C4'-P energy: -22.658
bonds (distance) P-C4' energy: -28.271
flat angles C4'-P-C4' energy: -28.117
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -28.594
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: 4
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -311.690682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.690682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.690682 (E_RNA)
where:
Base-Base interactions energy: -205.963
where: short stacking energy: -87.446
Base-Backbone interact. energy: -0.665
local terms energy: -105.062347
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -26.490
flat angles C4'-P-C4' energy: -24.124
flat angles P-C4'-P energy: -19.978
tors. eta vs tors. theta energy: -19.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -206.254895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.254895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.254895 (E_RNA)
where:
Base-Base interactions energy: -115.816
where: short stacking energy: -57.796
Base-Backbone interact. energy: 0.591
local terms energy: -91.029318
where:
bonds (distance) C4'-P energy: -24.823
bonds (distance) P-C4' energy: -27.578
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -14.366
tors. eta vs tors. theta energy: -9.827
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: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -539.862783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.862783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.862783 (E_RNA)
where:
Base-Base interactions energy: -376.564
where: short stacking energy: -155.613
Base-Backbone interact. energy: -0.250
local terms energy: -163.049450
where:
bonds (distance) C4'-P energy: -24.225
bonds (distance) P-C4' energy: -32.776
flat angles C4'-P-C4' energy: -35.965
flat angles P-C4'-P energy: -23.291
tors. eta vs tors. theta energy: -46.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -526.614565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.614565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.614565 (E_RNA)
where:
Base-Base interactions energy: -364.896
where: short stacking energy: -148.215
Base-Backbone interact. energy: -0.004
local terms energy: -161.715210
where:
bonds (distance) C4'-P energy: -31.975
bonds (distance) P-C4' energy: -33.954
flat angles C4'-P-C4' energy: -31.549
flat angles P-C4'-P energy: -18.250
tors. eta vs tors. theta energy: -45.987
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: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -517.449250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.449250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.449250 (E_RNA)
where:
Base-Base interactions energy: -363.761
where: short stacking energy: -149.356
Base-Backbone interact. energy: -0.553
local terms energy: -153.135493
where:
bonds (distance) C4'-P energy: -27.305
bonds (distance) P-C4' energy: -23.522
flat angles C4'-P-C4' energy: -36.878
flat angles P-C4'-P energy: -21.570
tors. eta vs tors. theta energy: -43.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -513.774923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.774923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.774923 (E_RNA)
where:
Base-Base interactions energy: -361.619
where: short stacking energy: -152.059
Base-Backbone interact. energy: -0.028
local terms energy: -152.128404
where:
bonds (distance) C4'-P energy: -21.065
bonds (distance) P-C4' energy: -31.817
flat angles C4'-P-C4' energy: -33.772
flat angles P-C4'-P energy: -21.268
tors. eta vs tors. theta energy: -44.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -425.974262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.974262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.974262 (E_RNA)
where:
Base-Base interactions energy: -293.527
where: short stacking energy: -121.795
Base-Backbone interact. energy: -0.788
local terms energy: -131.658956
where:
bonds (distance) C4'-P energy: -23.857
bonds (distance) P-C4' energy: -23.707
flat angles C4'-P-C4' energy: -33.191
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -35.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -437.322444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.322444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.322444 (E_RNA)
where:
Base-Base interactions energy: -302.605
where: short stacking energy: -135.470
Base-Backbone interact. energy: -0.286
local terms energy: -134.431176
where:
bonds (distance) C4'-P energy: -19.304
bonds (distance) P-C4' energy: -24.100
flat angles C4'-P-C4' energy: -33.879
flat angles P-C4'-P energy: -21.220
tors. eta vs tors. theta energy: -35.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -413.641245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.641245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.641245 (E_RNA)
where:
Base-Base interactions energy: -289.620
where: short stacking energy: -136.156
Base-Backbone interact. energy: -0.309
local terms energy: -123.712103
where:
bonds (distance) C4'-P energy: -19.116
bonds (distance) P-C4' energy: -28.681
flat angles C4'-P-C4' energy: -23.218
flat angles P-C4'-P energy: -16.182
tors. eta vs tors. theta energy: -36.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -342.890967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.890967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.890967 (E_RNA)
where:
Base-Base interactions energy: -225.309
where: short stacking energy: -96.011
Base-Backbone interact. energy: -0.935
local terms energy: -116.646441
where:
bonds (distance) C4'-P energy: -26.044
bonds (distance) P-C4' energy: -25.502
flat angles C4'-P-C4' energy: -26.711
flat angles P-C4'-P energy: -19.290
tors. eta vs tors. theta energy: -19.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -327.180947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.180947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.180947 (E_RNA)
where:
Base-Base interactions energy: -243.986
where: short stacking energy: -99.393
Base-Backbone interact. energy: -0.104
local terms energy: -83.090915
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -25.805
flat angles C4'-P-C4' energy: -22.173
flat angles P-C4'-P energy: 0.887
tors. eta vs tors. theta energy: -20.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -205.947686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.947686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.947686 (E_RNA)
where:
Base-Base interactions energy: -112.590
where: short stacking energy: -65.585
Base-Backbone interact. energy: -1.011
local terms energy: -92.346109
where:
bonds (distance) C4'-P energy: -21.567
bonds (distance) P-C4' energy: -28.827
flat angles C4'-P-C4' energy: -19.614
flat angles P-C4'-P energy: -15.664
tors. eta vs tors. theta energy: -6.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -537.136782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.136782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.136782 (E_RNA)
where:
Base-Base interactions energy: -379.007
where: short stacking energy: -159.350
Base-Backbone interact. energy: -0.474
local terms energy: -157.656625
where:
bonds (distance) C4'-P energy: -29.402
bonds (distance) P-C4' energy: -29.310
flat angles C4'-P-C4' energy: -34.010
flat angles P-C4'-P energy: -18.354
tors. eta vs tors. theta energy: -46.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -524.970831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.970831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.970831 (E_RNA)
where:
Base-Base interactions energy: -363.770
where: short stacking energy: -157.106
Base-Backbone interact. energy: -0.006
local terms energy: -161.194691
where:
bonds (distance) C4'-P energy: -33.811
bonds (distance) P-C4' energy: -28.483
flat angles C4'-P-C4' energy: -31.342
flat angles P-C4'-P energy: -22.873
tors. eta vs tors. theta energy: -44.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -523.564322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.564322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.564322 (E_RNA)
where:
Base-Base interactions energy: -369.531
where: short stacking energy: -153.251
Base-Backbone interact. energy: 0.002
local terms energy: -154.035732
where:
bonds (distance) C4'-P energy: -29.844
bonds (distance) P-C4' energy: -26.278
flat angles C4'-P-C4' energy: -29.699
flat angles P-C4'-P energy: -22.067
tors. eta vs tors. theta energy: -46.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -510.222120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.222120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.222120 (E_RNA)
where:
Base-Base interactions energy: -351.287
where: short stacking energy: -148.006
Base-Backbone interact. energy: 0.743
local terms energy: -159.677593
where:
bonds (distance) C4'-P energy: -27.121
bonds (distance) P-C4' energy: -23.394
flat angles C4'-P-C4' energy: -35.107
flat angles P-C4'-P energy: -27.198
tors. eta vs tors. theta energy: -46.859
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: 5, replica: 9
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -441.088940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.088940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.088940 (E_RNA)
where:
Base-Base interactions energy: -302.023
where: short stacking energy: -130.006
Base-Backbone interact. energy: -2.204
local terms energy: -136.861293
where:
bonds (distance) C4'-P energy: -25.084
bonds (distance) P-C4' energy: -30.576
flat angles C4'-P-C4' energy: -30.836
flat angles P-C4'-P energy: -14.895
tors. eta vs tors. theta energy: -35.471
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: 362
Temperature: 1.150000
Total energy: -421.720548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.720548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.720548 (E_RNA)
where:
Base-Base interactions energy: -282.885
where: short stacking energy: -126.568
Base-Backbone interact. energy: -0.199
local terms energy: -138.636901
where:
bonds (distance) C4'-P energy: -23.744
bonds (distance) P-C4' energy: -23.183
flat angles C4'-P-C4' energy: -31.088
flat angles P-C4'-P energy: -18.780
tors. eta vs tors. theta energy: -41.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -417.843047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.843047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.843047 (E_RNA)
where:
Base-Base interactions energy: -281.754
where: short stacking energy: -126.758
Base-Backbone interact. energy: -0.554
local terms energy: -135.535083
where:
bonds (distance) C4'-P energy: -21.784
bonds (distance) P-C4' energy: -29.409
flat angles C4'-P-C4' energy: -28.445
flat angles P-C4'-P energy: -18.141
tors. eta vs tors. theta energy: -37.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -321.944785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.944785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.944785 (E_RNA)
where:
Base-Base interactions energy: -217.877
where: short stacking energy: -83.342
Base-Backbone interact. energy: -0.605
local terms energy: -103.462923
where:
bonds (distance) C4'-P energy: -26.209
bonds (distance) P-C4' energy: -28.467
flat angles C4'-P-C4' energy: -23.305
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -14.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -315.824237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.824237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.824237 (E_RNA)
where:
Base-Base interactions energy: -222.174
where: short stacking energy: -86.688
Base-Backbone interact. energy: -0.560
local terms energy: -93.090188
where:
bonds (distance) C4'-P energy: -29.125
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -21.231
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -11.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -190.178208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.178208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.178208 (E_RNA)
where:
Base-Base interactions energy: -98.775
where: short stacking energy: -48.351
Base-Backbone interact. energy: 0.195
local terms energy: -91.598834
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -30.868
flat angles C4'-P-C4' energy: -26.296
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: 2.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -533.298696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.298696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.298696 (E_RNA)
where:
Base-Base interactions energy: -377.908
where: short stacking energy: -157.573
Base-Backbone interact. energy: -0.257
local terms energy: -155.133813
where:
bonds (distance) C4'-P energy: -22.251
bonds (distance) P-C4' energy: -28.524
flat angles C4'-P-C4' energy: -30.623
flat angles P-C4'-P energy: -23.058
tors. eta vs tors. theta energy: -50.677
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: 2, replica: 10
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -538.285720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.285720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.285720 (E_RNA)
where:
Base-Base interactions energy: -377.707
where: short stacking energy: -149.414
Base-Backbone interact. energy: -0.225
local terms energy: -160.354057
where:
bonds (distance) C4'-P energy: -31.145
bonds (distance) P-C4' energy: -28.051
flat angles C4'-P-C4' energy: -29.045
flat angles P-C4'-P energy: -25.992
tors. eta vs tors. theta energy: -46.121
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: 8
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -521.806638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.806638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.806638 (E_RNA)
where:
Base-Base interactions energy: -366.225
where: short stacking energy: -154.805
Base-Backbone interact. energy: -0.710
local terms energy: -154.871030
where:
bonds (distance) C4'-P energy: -26.186
bonds (distance) P-C4' energy: -22.283
flat angles C4'-P-C4' energy: -32.874
flat angles P-C4'-P energy: -26.130
tors. eta vs tors. theta energy: -47.397
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: 4, replica: 9
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -468.584564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.584564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.584564 (E_RNA)
where:
Base-Base interactions energy: -319.700
where: short stacking energy: -143.190
Base-Backbone interact. energy: -0.444
local terms energy: -148.440775
where:
bonds (distance) C4'-P energy: -30.027
bonds (distance) P-C4' energy: -28.645
flat angles C4'-P-C4' energy: -30.959
flat angles P-C4'-P energy: -18.546
tors. eta vs tors. theta energy: -40.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -496.676034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.676034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.676034 (E_RNA)
where:
Base-Base interactions energy: -349.885
where: short stacking energy: -149.621
Base-Backbone interact. energy: -0.050
local terms energy: -146.741375
where:
bonds (distance) C4'-P energy: -28.259
bonds (distance) P-C4' energy: -25.135
flat angles C4'-P-C4' energy: -30.706
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -46.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -433.133552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.133552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.133552 (E_RNA)
where:
Base-Base interactions energy: -289.780
where: short stacking energy: -128.723
Base-Backbone interact. energy: -0.463
local terms energy: -142.890339
where:
bonds (distance) C4'-P energy: -25.097
bonds (distance) P-C4' energy: -25.967
flat angles C4'-P-C4' energy: -29.841
flat angles P-C4'-P energy: -24.495
tors. eta vs tors. theta energy: -37.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -391.794301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.794301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.794301 (E_RNA)
where:
Base-Base interactions energy: -267.335
where: short stacking energy: -121.419
Base-Backbone interact. energy: -0.176
local terms energy: -124.282676
where:
bonds (distance) C4'-P energy: -19.877
bonds (distance) P-C4' energy: -26.396
flat angles C4'-P-C4' energy: -26.265
flat angles P-C4'-P energy: -17.577
tors. eta vs tors. theta energy: -34.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -336.138801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.138801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.138801 (E_RNA)
where:
Base-Base interactions energy: -201.888
where: short stacking energy: -91.458
Base-Backbone interact. energy: -0.124
local terms energy: -134.127492
where:
bonds (distance) C4'-P energy: -28.238
bonds (distance) P-C4' energy: -28.514
flat angles C4'-P-C4' energy: -30.039
flat angles P-C4'-P energy: -19.359
tors. eta vs tors. theta energy: -27.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -316.783087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.783087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.783087 (E_RNA)
where:
Base-Base interactions energy: -202.673
where: short stacking energy: -83.037
Base-Backbone interact. energy: 0.081
local terms energy: -114.190843
where:
bonds (distance) C4'-P energy: -25.626
bonds (distance) P-C4' energy: -32.205
flat angles C4'-P-C4' energy: -21.364
flat angles P-C4'-P energy: -18.612
tors. eta vs tors. theta energy: -16.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -199.393935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.393935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.393935 (E_RNA)
where:
Base-Base interactions energy: -108.952
where: short stacking energy: -63.687
Base-Backbone interact. energy: -0.295
local terms energy: -90.146722
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -29.919
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -12.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -539.672799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.672799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.672799 (E_RNA)
where:
Base-Base interactions energy: -379.918
where: short stacking energy: -162.911
Base-Backbone interact. energy: -0.015
local terms energy: -159.739581
where:
bonds (distance) C4'-P energy: -31.840
bonds (distance) P-C4' energy: -25.335
flat angles C4'-P-C4' energy: -31.360
flat angles P-C4'-P energy: -23.267
tors. eta vs tors. theta energy: -47.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -513.661535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.661535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.661535 (E_RNA)
where:
Base-Base interactions energy: -371.539
where: short stacking energy: -155.662
Base-Backbone interact. energy: -0.005
local terms energy: -142.117976
where:
bonds (distance) C4'-P energy: -22.625
bonds (distance) P-C4' energy: -20.991
flat angles C4'-P-C4' energy: -34.904
flat angles P-C4'-P energy: -18.119
tors. eta vs tors. theta energy: -45.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -467.354929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.354929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.354929 (E_RNA)
where:
Base-Base interactions energy: -322.063
where: short stacking energy: -134.352
Base-Backbone interact. energy: 0.077
local terms energy: -145.368674
where:
bonds (distance) C4'-P energy: -29.990
bonds (distance) P-C4' energy: -24.639
flat angles C4'-P-C4' energy: -33.931
flat angles P-C4'-P energy: -20.035
tors. eta vs tors. theta energy: -36.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -507.436583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.436583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.436583 (E_RNA)
where:
Base-Base interactions energy: -355.911
where: short stacking energy: -148.170
Base-Backbone interact. energy: -0.491
local terms energy: -151.035322
where:
bonds (distance) C4'-P energy: -31.300
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -33.284
flat angles P-C4'-P energy: -22.840
tors. eta vs tors. theta energy: -46.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -495.439489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.439489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.439489 (E_RNA)
where:
Base-Base interactions energy: -350.780
where: short stacking energy: -157.777
Base-Backbone interact. energy: -0.047
local terms energy: -144.612644
where:
bonds (distance) C4'-P energy: -22.781
bonds (distance) P-C4' energy: -25.534
flat angles C4'-P-C4' energy: -31.923
flat angles P-C4'-P energy: -19.655
tors. eta vs tors. theta energy: -44.720
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: 6
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -437.262658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.262658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.262658 (E_RNA)
where:
Base-Base interactions energy: -291.302
where: short stacking energy: -136.756
Base-Backbone interact. energy: -0.038
local terms energy: -145.923349
where:
bonds (distance) C4'-P energy: -24.409
bonds (distance) P-C4' energy: -28.665
flat angles C4'-P-C4' energy: -28.089
flat angles P-C4'-P energy: -22.229
tors. eta vs tors. theta energy: -42.531
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: 3
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -417.527118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.527118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.527118 (E_RNA)
where:
Base-Base interactions energy: -286.133
where: short stacking energy: -128.346
Base-Backbone interact. energy: 0.046
local terms energy: -131.439925
where:
bonds (distance) C4'-P energy: -20.937
bonds (distance) P-C4' energy: -29.310
flat angles C4'-P-C4' energy: -26.365
flat angles P-C4'-P energy: -22.029
tors. eta vs tors. theta energy: -32.799
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: 1
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -320.672852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.672852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.672852 (E_RNA)
where:
Base-Base interactions energy: -206.740
where: short stacking energy: -88.615
Base-Backbone interact. energy: -1.042
local terms energy: -112.890747
where:
bonds (distance) C4'-P energy: -23.278
bonds (distance) P-C4' energy: -27.316
flat angles C4'-P-C4' energy: -30.646
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -22.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -321.318853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.318853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.318853 (E_RNA)
where:
Base-Base interactions energy: -203.638
where: short stacking energy: -69.676
Base-Backbone interact. energy: -0.323
local terms energy: -117.357658
where:
bonds (distance) C4'-P energy: -28.274
bonds (distance) P-C4' energy: -28.811
flat angles C4'-P-C4' energy: -22.356
flat angles P-C4'-P energy: -22.545
tors. eta vs tors. theta energy: -15.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -191.762889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.762889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.762889 (E_RNA)
where:
Base-Base interactions energy: -102.767
where: short stacking energy: -55.322
Base-Backbone interact. energy: -0.351
local terms energy: -88.645233
where:
bonds (distance) C4'-P energy: -24.466
bonds (distance) P-C4' energy: -23.249
flat angles C4'-P-C4' energy: -20.697
flat angles P-C4'-P energy: -17.679
tors. eta vs tors. theta energy: -2.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -525.261624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.261624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.261624 (E_RNA)
where:
Base-Base interactions energy: -381.386
where: short stacking energy: -147.763
Base-Backbone interact. energy: -0.216
local terms energy: -143.659282
where:
bonds (distance) C4'-P energy: -24.690
bonds (distance) P-C4' energy: -27.208
flat angles C4'-P-C4' energy: -31.215
flat angles P-C4'-P energy: -19.418
tors. eta vs tors. theta energy: -41.129
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: 10
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -522.831666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.831666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.831666 (E_RNA)
where:
Base-Base interactions energy: -374.737
where: short stacking energy: -144.779
Base-Backbone interact. energy: -0.411
local terms energy: -147.683691
where:
bonds (distance) C4'-P energy: -29.965
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -32.430
flat angles P-C4'-P energy: -23.475
tors. eta vs tors. theta energy: -43.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -482.031191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.031191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.031191 (E_RNA)
where:
Base-Base interactions energy: -338.485
where: short stacking energy: -143.343
Base-Backbone interact. energy: -0.279
local terms energy: -143.267404
where:
bonds (distance) C4'-P energy: -24.226
bonds (distance) P-C4' energy: -26.822
flat angles C4'-P-C4' energy: -31.684
flat angles P-C4'-P energy: -20.464
tors. eta vs tors. theta energy: -40.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -510.280019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.280019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.280019 (E_RNA)
where:
Base-Base interactions energy: -365.914
where: short stacking energy: -148.838
Base-Backbone interact. energy: -0.043
local terms energy: -144.323381
where:
bonds (distance) C4'-P energy: -27.394
bonds (distance) P-C4' energy: -26.505
flat angles C4'-P-C4' energy: -27.883
flat angles P-C4'-P energy: -17.129
tors. eta vs tors. theta energy: -45.413
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: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -503.584529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.584529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.584529 (E_RNA)
where:
Base-Base interactions energy: -360.375
where: short stacking energy: -150.244
Base-Backbone interact. energy: 0.633
local terms energy: -143.842282
where:
bonds (distance) C4'-P energy: -22.736
bonds (distance) P-C4' energy: -23.880
flat angles C4'-P-C4' energy: -31.771
flat angles P-C4'-P energy: -17.826
tors. eta vs tors. theta energy: -47.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -430.363676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.363676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.363676 (E_RNA)
where:
Base-Base interactions energy: -288.278
where: short stacking energy: -128.080
Base-Backbone interact. energy: -0.108
local terms energy: -141.977107
where:
bonds (distance) C4'-P energy: -21.259
bonds (distance) P-C4' energy: -30.963
flat angles C4'-P-C4' energy: -30.436
flat angles P-C4'-P energy: -20.813
tors. eta vs tors. theta energy: -38.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -434.077575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.077575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.077575 (E_RNA)
where:
Base-Base interactions energy: -296.260
where: short stacking energy: -131.754
Base-Backbone interact. energy: -0.106
local terms energy: -137.711071
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -20.649
flat angles C4'-P-C4' energy: -30.085
flat angles P-C4'-P energy: -23.600
tors. eta vs tors. theta energy: -41.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -316.712507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.712507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.712507 (E_RNA)
where:
Base-Base interactions energy: -220.169
where: short stacking energy: -98.714
Base-Backbone interact. energy: -0.305
local terms energy: -96.239441
where:
bonds (distance) C4'-P energy: -21.904
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -25.378
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -16.761
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: 1
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -298.910112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.910112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.910112 (E_RNA)
where:
Base-Base interactions energy: -208.278
where: short stacking energy: -81.360
Base-Backbone interact. energy: -0.541
local terms energy: -90.091745
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -23.229
flat angles C4'-P-C4' energy: -20.210
flat angles P-C4'-P energy: -14.614
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: 10, replica: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -215.168370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.168370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.168370 (E_RNA)
where:
Base-Base interactions energy: -119.217
where: short stacking energy: -67.398
Base-Backbone interact. energy: -1.370
local terms energy: -94.580624
where:
bonds (distance) C4'-P energy: -26.335
bonds (distance) P-C4' energy: -26.316
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -13.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -525.873642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.873642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.873642 (E_RNA)
where:
Base-Base interactions energy: -367.004
where: short stacking energy: -158.334
Base-Backbone interact. energy: -0.051
local terms energy: -158.818061
where:
bonds (distance) C4'-P energy: -26.997
bonds (distance) P-C4' energy: -30.483
flat angles C4'-P-C4' energy: -34.338
flat angles P-C4'-P energy: -21.173
tors. eta vs tors. theta energy: -45.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -527.233500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.233500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.233500 (E_RNA)
where:
Base-Base interactions energy: -376.122
where: short stacking energy: -152.451
Base-Backbone interact. energy: -0.207
local terms energy: -150.904676
where:
bonds (distance) C4'-P energy: -27.175
bonds (distance) P-C4' energy: -29.801
flat angles C4'-P-C4' energy: -28.976
flat angles P-C4'-P energy: -20.274
tors. eta vs tors. theta energy: -44.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -518.858342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.858342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.858342 (E_RNA)
where:
Base-Base interactions energy: -371.570
where: short stacking energy: -145.580
Base-Backbone interact. energy: -0.953
local terms energy: -146.335461
where:
bonds (distance) C4'-P energy: -23.349
bonds (distance) P-C4' energy: -32.355
flat angles C4'-P-C4' energy: -27.358
flat angles P-C4'-P energy: -19.209
tors. eta vs tors. theta energy: -44.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -477.142342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.142342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.142342 (E_RNA)
where:
Base-Base interactions energy: -343.515
where: short stacking energy: -143.005
Base-Backbone interact. energy: -0.011
local terms energy: -133.616429
where:
bonds (distance) C4'-P energy: -22.454
bonds (distance) P-C4' energy: -23.203
flat angles C4'-P-C4' energy: -29.444
flat angles P-C4'-P energy: -18.958
tors. eta vs tors. theta energy: -39.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -503.770318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.770318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.770318 (E_RNA)
where:
Base-Base interactions energy: -365.790
where: short stacking energy: -148.869
Base-Backbone interact. energy: -0.834
local terms energy: -137.146542
where:
bonds (distance) C4'-P energy: -23.118
bonds (distance) P-C4' energy: -22.723
flat angles C4'-P-C4' energy: -23.759
flat angles P-C4'-P energy: -24.999
tors. eta vs tors. theta energy: -42.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -429.900655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.900655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.900655 (E_RNA)
where:
Base-Base interactions energy: -281.552
where: short stacking energy: -121.220
Base-Backbone interact. energy: -0.242
local terms energy: -148.107310
where:
bonds (distance) C4'-P energy: -26.900
bonds (distance) P-C4' energy: -24.212
flat angles C4'-P-C4' energy: -32.791
flat angles P-C4'-P energy: -26.693
tors. eta vs tors. theta energy: -37.510
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: 7, replica: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -417.830893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.830893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.830893 (E_RNA)
where:
Base-Base interactions energy: -290.343
where: short stacking energy: -131.090
Base-Backbone interact. energy: -0.517
local terms energy: -126.970887
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -27.731
flat angles C4'-P-C4' energy: -29.461
flat angles P-C4'-P energy: -17.534
tors. eta vs tors. theta energy: -41.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -319.227981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.227981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.227981 (E_RNA)
where:
Base-Base interactions energy: -213.417
where: short stacking energy: -90.960
Base-Backbone interact. energy: -1.327
local terms energy: -104.484232
where:
bonds (distance) C4'-P energy: -23.994
bonds (distance) P-C4' energy: -25.918
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -17.427
tors. eta vs tors. theta energy: -18.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -213.941346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.941346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.941346 (E_RNA)
where:
Base-Base interactions energy: -114.463
where: short stacking energy: -64.020
Base-Backbone interact. energy: -0.179
local terms energy: -99.299849
where:
bonds (distance) C4'-P energy: -25.214
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -25.580
flat angles P-C4'-P energy: -15.272
tors. eta vs tors. theta energy: -8.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -299.573679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.573679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.573679 (E_RNA)
where:
Base-Base interactions energy: -206.924
where: short stacking energy: -75.604
Base-Backbone interact. energy: -1.288
local terms energy: -91.361542
where:
bonds (distance) C4'-P energy: -22.722
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -22.795
tors. eta vs tors. theta energy: -9.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -524.365508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.365508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.365508 (E_RNA)
where:
Base-Base interactions energy: -376.766
where: short stacking energy: -142.880
Base-Backbone interact. energy: -0.531
local terms energy: -147.068074
where:
bonds (distance) C4'-P energy: -23.651
bonds (distance) P-C4' energy: -30.414
flat angles C4'-P-C4' energy: -29.047
flat angles P-C4'-P energy: -24.097
tors. eta vs tors. theta energy: -39.858
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: 10
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -531.940408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.940408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.940408 (E_RNA)
where:
Base-Base interactions energy: -373.007
where: short stacking energy: -153.316
Base-Backbone interact. energy: 1.310
local terms energy: -160.243267
where:
bonds (distance) C4'-P energy: -29.760
bonds (distance) P-C4' energy: -27.243
flat angles C4'-P-C4' energy: -31.077
flat angles P-C4'-P energy: -24.244
tors. eta vs tors. theta energy: -47.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -517.253536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.253536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.253536 (E_RNA)
where:
Base-Base interactions energy: -361.605
where: short stacking energy: -145.038
Base-Backbone interact. energy: -0.350
local terms energy: -155.299086
where:
bonds (distance) C4'-P energy: -22.170
bonds (distance) P-C4' energy: -33.189
flat angles C4'-P-C4' energy: -34.827
flat angles P-C4'-P energy: -20.474
tors. eta vs tors. theta energy: -44.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -495.926523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.926523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.926523 (E_RNA)
where:
Base-Base interactions energy: -354.095
where: short stacking energy: -141.647
Base-Backbone interact. energy: 0.373
local terms energy: -142.204383
where:
bonds (distance) C4'-P energy: -26.500
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -25.180
flat angles P-C4'-P energy: -20.729
tors. eta vs tors. theta energy: -46.828
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: 5, replica: 9
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -476.327511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.327511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.327511 (E_RNA)
where:
Base-Base interactions energy: -322.983
where: short stacking energy: -133.721
Base-Backbone interact. energy: -0.165
local terms energy: -153.179970
where:
bonds (distance) C4'-P energy: -29.100
bonds (distance) P-C4' energy: -25.497
flat angles C4'-P-C4' energy: -33.241
flat angles P-C4'-P energy: -21.954
tors. eta vs tors. theta energy: -43.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -436.732241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.732241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.732241 (E_RNA)
where:
Base-Base interactions energy: -303.734
where: short stacking energy: -140.679
Base-Backbone interact. energy: -0.492
local terms energy: -132.506524
where:
bonds (distance) C4'-P energy: -25.420
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -24.802
flat angles P-C4'-P energy: -21.514
tors. eta vs tors. theta energy: -38.680
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: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -388.323066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.323066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.323066 (E_RNA)
where:
Base-Base interactions energy: -279.075
where: short stacking energy: -113.812
Base-Backbone interact. energy: -0.012
local terms energy: -109.236564
where:
bonds (distance) C4'-P energy: -21.376
bonds (distance) P-C4' energy: -24.523
flat angles C4'-P-C4' energy: -21.809
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -34.726
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: 367
Temperature: 1.250000
Total energy: -354.055674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.055674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.055674 (E_RNA)
where:
Base-Base interactions energy: -235.956
where: short stacking energy: -93.373
Base-Backbone interact. energy: -0.318
local terms energy: -117.781542
where:
bonds (distance) C4'-P energy: -28.156
bonds (distance) P-C4' energy: -28.655
flat angles C4'-P-C4' energy: -26.657
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -19.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -224.474044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.474044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.474044 (E_RNA)
where:
Base-Base interactions energy: -129.664
where: short stacking energy: -64.662
Base-Backbone interact. energy: -0.324
local terms energy: -94.486402
where:
bonds (distance) C4'-P energy: -28.719
bonds (distance) P-C4' energy: -21.681
flat angles C4'-P-C4' energy: -19.791
flat angles P-C4'-P energy: -13.584
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: 10, replica: 1
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -312.769552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.769552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.769552 (E_RNA)
where:
Base-Base interactions energy: -214.313
where: short stacking energy: -83.390
Base-Backbone interact. energy: -0.283
local terms energy: -98.173696
where:
bonds (distance) C4'-P energy: -30.505
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -25.302
flat angles P-C4'-P energy: -11.567
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: 1, replica: 10
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -540.221293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.221293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.221293 (E_RNA)
where:
Base-Base interactions energy: -378.207
where: short stacking energy: -159.478
Base-Backbone interact. energy: -0.003
local terms energy: -162.010963
where:
bonds (distance) C4'-P energy: -29.438
bonds (distance) P-C4' energy: -25.830
flat angles C4'-P-C4' energy: -33.105
flat angles P-C4'-P energy: -25.119
tors. eta vs tors. theta energy: -48.518
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: 2, replica: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -525.241841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.241841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.241841 (E_RNA)
where:
Base-Base interactions energy: -365.590
where: short stacking energy: -159.191
Base-Backbone interact. energy: -0.531
local terms energy: -159.121446
where:
bonds (distance) C4'-P energy: -25.747
bonds (distance) P-C4' energy: -31.732
flat angles C4'-P-C4' energy: -30.212
flat angles P-C4'-P energy: -23.703
tors. eta vs tors. theta energy: -47.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -508.834948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.834948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.834948 (E_RNA)
where:
Base-Base interactions energy: -360.723
where: short stacking energy: -148.358
Base-Backbone interact. energy: -0.042
local terms energy: -148.070754
where:
bonds (distance) C4'-P energy: -26.674
bonds (distance) P-C4' energy: -24.907
flat angles C4'-P-C4' energy: -27.374
flat angles P-C4'-P energy: -22.857
tors. eta vs tors. theta energy: -46.258
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: 8
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -501.395769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.395769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.395769 (E_RNA)
where:
Base-Base interactions energy: -353.351
where: short stacking energy: -144.614
Base-Backbone interact. energy: -0.322
local terms energy: -147.723157
where:
bonds (distance) C4'-P energy: -19.872
bonds (distance) P-C4' energy: -29.007
flat angles C4'-P-C4' energy: -33.369
flat angles P-C4'-P energy: -22.788
tors. eta vs tors. theta energy: -42.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -471.329673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.329673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.329673 (E_RNA)
where:
Base-Base interactions energy: -324.535
where: short stacking energy: -150.720
Base-Backbone interact. energy: -0.307
local terms energy: -146.488244
where:
bonds (distance) C4'-P energy: -22.666
bonds (distance) P-C4' energy: -30.578
flat angles C4'-P-C4' energy: -33.726
flat angles P-C4'-P energy: -16.365
tors. eta vs tors. theta energy: -43.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -455.618334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.618334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.618334 (E_RNA)
where:
Base-Base interactions energy: -322.050
where: short stacking energy: -135.571
Base-Backbone interact. energy: -0.043
local terms energy: -133.525172
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -30.416
flat angles C4'-P-C4' energy: -29.858
flat angles P-C4'-P energy: -16.124
tors. eta vs tors. theta energy: -38.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -403.579781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.579781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.579781 (E_RNA)
where:
Base-Base interactions energy: -272.312
where: short stacking energy: -111.159
Base-Backbone interact. energy: -0.262
local terms energy: -131.005451
where:
bonds (distance) C4'-P energy: -24.682
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -29.834
flat angles P-C4'-P energy: -22.489
tors. eta vs tors. theta energy: -33.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -355.150640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.150640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.150640 (E_RNA)
where:
Base-Base interactions energy: -224.587
where: short stacking energy: -107.373
Base-Backbone interact. energy: 3.311
local terms energy: -133.874756
where:
bonds (distance) C4'-P energy: -31.606
bonds (distance) P-C4' energy: -30.249
flat angles C4'-P-C4' energy: -24.958
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -32.852
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: 1
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -276.795408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.795408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.795408 (E_RNA)
where:
Base-Base interactions energy: -180.351
where: short stacking energy: -76.095
Base-Backbone interact. energy: -0.382
local terms energy: -96.062026
where:
bonds (distance) C4'-P energy: -19.452
bonds (distance) P-C4' energy: -24.524
flat angles C4'-P-C4' energy: -23.406
flat angles P-C4'-P energy: -18.884
tors. eta vs tors. theta energy: -9.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -221.802224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.802224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.802224 (E_RNA)
where:
Base-Base interactions energy: -128.339
where: short stacking energy: -63.000
Base-Backbone interact. energy: -1.340
local terms energy: -92.123705
where:
bonds (distance) C4'-P energy: -25.478
bonds (distance) P-C4' energy: -22.822
flat angles C4'-P-C4' energy: -20.376
flat angles P-C4'-P energy: -15.615
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: 10
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -536.659125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.659125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.659125 (E_RNA)
where:
Base-Base interactions energy: -369.647
where: short stacking energy: -156.051
Base-Backbone interact. energy: -0.633
local terms energy: -166.379250
where:
bonds (distance) C4'-P energy: -30.060
bonds (distance) P-C4' energy: -31.945
flat angles C4'-P-C4' energy: -32.246
flat angles P-C4'-P energy: -22.066
tors. eta vs tors. theta energy: -50.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -514.774130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.774130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.774130 (E_RNA)
where:
Base-Base interactions energy: -367.930
where: short stacking energy: -150.351
Base-Backbone interact. energy: -0.013
local terms energy: -146.832034
where:
bonds (distance) C4'-P energy: -21.548
bonds (distance) P-C4' energy: -35.194
flat angles C4'-P-C4' energy: -29.026
flat angles P-C4'-P energy: -16.820
tors. eta vs tors. theta energy: -44.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -520.411022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.411022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.411022 (E_RNA)
where:
Base-Base interactions energy: -375.624
where: short stacking energy: -159.711
Base-Backbone interact. energy: -0.528
local terms energy: -144.258975
where:
bonds (distance) C4'-P energy: -25.477
bonds (distance) P-C4' energy: -20.593
flat angles C4'-P-C4' energy: -31.772
flat angles P-C4'-P energy: -20.517
tors. eta vs tors. theta energy: -45.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -513.331898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.331898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.331898 (E_RNA)
where:
Base-Base interactions energy: -364.725
where: short stacking energy: -145.802
Base-Backbone interact. energy: -0.417
local terms energy: -148.189665
where:
bonds (distance) C4'-P energy: -23.689
bonds (distance) P-C4' energy: -25.727
flat angles C4'-P-C4' energy: -30.506
flat angles P-C4'-P energy: -24.357
tors. eta vs tors. theta energy: -43.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -448.399164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.399164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.399164 (E_RNA)
where:
Base-Base interactions energy: -311.453
where: short stacking energy: -139.141
Base-Backbone interact. energy: -0.227
local terms energy: -136.719284
where:
bonds (distance) C4'-P energy: -23.825
bonds (distance) P-C4' energy: -30.332
flat angles C4'-P-C4' energy: -27.743
flat angles P-C4'-P energy: -17.942
tors. eta vs tors. theta energy: -36.878
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: 369
Temperature: 1.150000
Total energy: -441.563629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.563629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.563629 (E_RNA)
where:
Base-Base interactions energy: -307.252
where: short stacking energy: -126.943
Base-Backbone interact. energy: 2.319
local terms energy: -136.630247
where:
bonds (distance) C4'-P energy: -24.641
bonds (distance) P-C4' energy: -28.988
flat angles C4'-P-C4' energy: -31.294
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -38.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -452.526020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.526020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.526020 (E_RNA)
where:
Base-Base interactions energy: -314.374
where: short stacking energy: -141.563
Base-Backbone interact. energy: -0.024
local terms energy: -138.128245
where:
bonds (distance) C4'-P energy: -24.501
bonds (distance) P-C4' energy: -27.168
flat angles C4'-P-C4' energy: -27.165
flat angles P-C4'-P energy: -20.536
tors. eta vs tors. theta energy: -38.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -334.516467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.516467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.516467 (E_RNA)
where:
Base-Base interactions energy: -223.943
where: short stacking energy: -95.315
Base-Backbone interact. energy: 0.490
local terms energy: -111.063062
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -22.327
flat angles C4'-P-C4' energy: -28.556
flat angles P-C4'-P energy: -21.599
tors. eta vs tors. theta energy: -26.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -273.270423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.270423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.270423 (E_RNA)
where:
Base-Base interactions energy: -180.191
where: short stacking energy: -74.283
Base-Backbone interact. energy: -0.238
local terms energy: -92.841471
where:
bonds (distance) C4'-P energy: -20.789
bonds (distance) P-C4' energy: -23.365
flat angles C4'-P-C4' energy: -26.892
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -9.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -221.253431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.253431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.253431 (E_RNA)
where:
Base-Base interactions energy: -130.174
where: short stacking energy: -75.122
Base-Backbone interact. energy: 1.661
local terms energy: -92.739959
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -27.357
flat angles C4'-P-C4' energy: -25.850
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -9.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -536.354770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.354770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.354770 (E_RNA)
where:
Base-Base interactions energy: -381.038
where: short stacking energy: -154.209
Base-Backbone interact. energy: 0.074
local terms energy: -155.391093
where:
bonds (distance) C4'-P energy: -28.382
bonds (distance) P-C4' energy: -31.320
flat angles C4'-P-C4' energy: -30.098
flat angles P-C4'-P energy: -21.525
tors. eta vs tors. theta energy: -44.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -532.937339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.937339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.937339 (E_RNA)
where:
Base-Base interactions energy: -381.257
where: short stacking energy: -153.251
Base-Backbone interact. energy: -0.905
local terms energy: -150.775693
where:
bonds (distance) C4'-P energy: -27.770
bonds (distance) P-C4' energy: -25.267
flat angles C4'-P-C4' energy: -30.818
flat angles P-C4'-P energy: -19.952
tors. eta vs tors. theta energy: -46.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -522.326473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.326473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.326473 (E_RNA)
where:
Base-Base interactions energy: -373.727
where: short stacking energy: -162.921
Base-Backbone interact. energy: -0.224
local terms energy: -148.375317
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -26.090
flat angles C4'-P-C4' energy: -31.380
flat angles P-C4'-P energy: -20.823
tors. eta vs tors. theta energy: -49.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -515.981632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.981632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.981632 (E_RNA)
where:
Base-Base interactions energy: -376.274
where: short stacking energy: -152.028
Base-Backbone interact. energy: -0.139
local terms energy: -139.568311
where:
bonds (distance) C4'-P energy: -25.870
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -28.484
flat angles P-C4'-P energy: -19.062
tors. eta vs tors. theta energy: -42.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -436.670070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.670070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.670070 (E_RNA)
where:
Base-Base interactions energy: -296.702
where: short stacking energy: -127.144
Base-Backbone interact. energy: -1.820
local terms energy: -138.148284
where:
bonds (distance) C4'-P energy: -28.237
bonds (distance) P-C4' energy: -24.078
flat angles C4'-P-C4' energy: -33.232
flat angles P-C4'-P energy: -18.056
tors. eta vs tors. theta energy: -34.545
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: 370
Temperature: 1.150000
Total energy: -436.046132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.046132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.046132 (E_RNA)
where:
Base-Base interactions energy: -301.674
where: short stacking energy: -142.869
Base-Backbone interact. energy: -0.134
local terms energy: -134.237640
where:
bonds (distance) C4'-P energy: -23.674
bonds (distance) P-C4' energy: -25.614
flat angles C4'-P-C4' energy: -29.615
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -40.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -432.985555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.985555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.985555 (E_RNA)
where:
Base-Base interactions energy: -326.181
where: short stacking energy: -135.245
Base-Backbone interact. energy: -0.891
local terms energy: -105.913667
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -28.583
flat angles P-C4'-P energy: -13.961
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: 8, replica: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -332.547360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.547360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.547360 (E_RNA)
where:
Base-Base interactions energy: -215.712
where: short stacking energy: -104.085
Base-Backbone interact. energy: -0.444
local terms energy: -116.390980
where:
bonds (distance) C4'-P energy: -23.166
bonds (distance) P-C4' energy: -25.820
flat angles C4'-P-C4' energy: -23.218
flat angles P-C4'-P energy: -17.620
tors. eta vs tors. theta energy: -26.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -322.859893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.859893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.859893 (E_RNA)
where:
Base-Base interactions energy: -217.494
where: short stacking energy: -85.556
Base-Backbone interact. energy: 0.983
local terms energy: -106.348772
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -24.856
flat angles C4'-P-C4' energy: -27.173
flat angles P-C4'-P energy: -20.776
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: 10, replica: 7
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -210.507939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.507939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.507939 (E_RNA)
where:
Base-Base interactions energy: -109.941
where: short stacking energy: -52.712
Base-Backbone interact. energy: 0.242
local terms energy: -100.809340
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -30.630
flat angles C4'-P-C4' energy: -20.659
flat angles P-C4'-P energy: -21.176
tors. eta vs tors. theta energy: -8.177
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: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -524.018686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.018686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.018686 (E_RNA)
where:
Base-Base interactions energy: -372.038
where: short stacking energy: -158.068
Base-Backbone interact. energy: -0.249
local terms energy: -151.731224
where:
bonds (distance) C4'-P energy: -26.851
bonds (distance) P-C4' energy: -28.113
flat angles C4'-P-C4' energy: -29.052
flat angles P-C4'-P energy: -19.040
tors. eta vs tors. theta energy: -48.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -535.357904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.357904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.357904 (E_RNA)
where:
Base-Base interactions energy: -375.853
where: short stacking energy: -152.096
Base-Backbone interact. energy: 1.287
local terms energy: -160.791967
where:
bonds (distance) C4'-P energy: -23.017
bonds (distance) P-C4' energy: -30.724
flat angles C4'-P-C4' energy: -35.437
flat angles P-C4'-P energy: -25.711
tors. eta vs tors. theta energy: -45.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -524.045346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.045346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.045346 (E_RNA)
where:
Base-Base interactions energy: -367.364
where: short stacking energy: -141.653
Base-Backbone interact. energy: -0.882
local terms energy: -155.799234
where:
bonds (distance) C4'-P energy: -23.395
bonds (distance) P-C4' energy: -30.620
flat angles C4'-P-C4' energy: -31.926
flat angles P-C4'-P energy: -26.086
tors. eta vs tors. theta energy: -43.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -517.405725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.405725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.405725 (E_RNA)
where:
Base-Base interactions energy: -360.908
where: short stacking energy: -144.114
Base-Backbone interact. energy: -0.002
local terms energy: -156.495206
where:
bonds (distance) C4'-P energy: -21.118
bonds (distance) P-C4' energy: -29.533
flat angles C4'-P-C4' energy: -30.344
flat angles P-C4'-P energy: -28.833
tors. eta vs tors. theta energy: -46.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -453.333954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.333954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.333954 (E_RNA)
where:
Base-Base interactions energy: -307.684
where: short stacking energy: -146.098
Base-Backbone interact. energy: -0.373
local terms energy: -145.276424
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -26.353
flat angles C4'-P-C4' energy: -28.881
flat angles P-C4'-P energy: -23.534
tors. eta vs tors. theta energy: -45.274
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: 6
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -446.409083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.409083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.409083 (E_RNA)
where:
Base-Base interactions energy: -305.384
where: short stacking energy: -135.777
Base-Backbone interact. energy: -0.006
local terms energy: -141.019842
where:
bonds (distance) C4'-P energy: -26.935
bonds (distance) P-C4' energy: -27.478
flat angles C4'-P-C4' energy: -29.359
flat angles P-C4'-P energy: -19.476
tors. eta vs tors. theta energy: -37.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -402.106831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.106831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.106831 (E_RNA)
where:
Base-Base interactions energy: -282.061
where: short stacking energy: -110.855
Base-Backbone interact. energy: -0.831
local terms energy: -119.214679
where:
bonds (distance) C4'-P energy: -27.882
bonds (distance) P-C4' energy: -25.355
flat angles C4'-P-C4' energy: -22.272
flat angles P-C4'-P energy: -17.424
tors. eta vs tors. theta energy: -26.281
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: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -331.468251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.468251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.468251 (E_RNA)
where:
Base-Base interactions energy: -224.285
where: short stacking energy: -93.737
Base-Backbone interact. energy: -0.872
local terms energy: -106.311073
where:
bonds (distance) C4'-P energy: -24.794
bonds (distance) P-C4' energy: -26.249
flat angles C4'-P-C4' energy: -19.426
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -22.567
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: 1
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -359.274926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.274926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.274926 (E_RNA)
where:
Base-Base interactions energy: -255.612
where: short stacking energy: -113.992
Base-Backbone interact. energy: 2.400
local terms energy: -106.062240
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -21.099
flat angles C4'-P-C4' energy: -24.480
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -30.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -216.300935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.300935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.300935 (E_RNA)
where:
Base-Base interactions energy: -116.040
where: short stacking energy: -67.669
Base-Backbone interact. energy: 2.789
local terms energy: -103.049627
where:
bonds (distance) C4'-P energy: -21.647
bonds (distance) P-C4' energy: -29.679
flat angles C4'-P-C4' energy: -27.124
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -11.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -520.382292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.382292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.382292 (E_RNA)
where:
Base-Base interactions energy: -367.565
where: short stacking energy: -155.442
Base-Backbone interact. energy: -1.161
local terms energy: -151.655632
where:
bonds (distance) C4'-P energy: -30.296
bonds (distance) P-C4' energy: -27.581
flat angles C4'-P-C4' energy: -29.497
flat angles P-C4'-P energy: -16.777
tors. eta vs tors. theta energy: -47.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -529.947027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.947027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.947027 (E_RNA)
where:
Base-Base interactions energy: -374.228
where: short stacking energy: -155.013
Base-Backbone interact. energy: -0.638
local terms energy: -155.081838
where:
bonds (distance) C4'-P energy: -26.171
bonds (distance) P-C4' energy: -27.483
flat angles C4'-P-C4' energy: -29.210
flat angles P-C4'-P energy: -25.822
tors. eta vs tors. theta energy: -46.396
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: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -514.118403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.118403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.118403 (E_RNA)
where:
Base-Base interactions energy: -364.629
where: short stacking energy: -148.880
Base-Backbone interact. energy: -0.112
local terms energy: -149.377540
where:
bonds (distance) C4'-P energy: -27.489
bonds (distance) P-C4' energy: -31.175
flat angles C4'-P-C4' energy: -24.641
flat angles P-C4'-P energy: -21.449
tors. eta vs tors. theta energy: -44.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -515.644925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.644925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.644925 (E_RNA)
where:
Base-Base interactions energy: -369.268
where: short stacking energy: -163.343
Base-Backbone interact. energy: -0.247
local terms energy: -146.129546
where:
bonds (distance) C4'-P energy: -21.710
bonds (distance) P-C4' energy: -28.686
flat angles C4'-P-C4' energy: -27.367
flat angles P-C4'-P energy: -20.177
tors. eta vs tors. theta energy: -48.190
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: 372
Temperature: 1.100000
Total energy: -442.524831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.524831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.524831 (E_RNA)
where:
Base-Base interactions energy: -298.388
where: short stacking energy: -130.517
Base-Backbone interact. energy: -0.200
local terms energy: -143.936823
where:
bonds (distance) C4'-P energy: -30.209
bonds (distance) P-C4' energy: -31.133
flat angles C4'-P-C4' energy: -26.223
flat angles P-C4'-P energy: -18.394
tors. eta vs tors. theta energy: -37.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -436.402360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.402360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.402360 (E_RNA)
where:
Base-Base interactions energy: -298.323
where: short stacking energy: -131.444
Base-Backbone interact. energy: -1.054
local terms energy: -137.024428
where:
bonds (distance) C4'-P energy: -26.109
bonds (distance) P-C4' energy: -26.938
flat angles C4'-P-C4' energy: -27.389
flat angles P-C4'-P energy: -16.724
tors. eta vs tors. theta energy: -39.865
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: 9
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -419.267098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.267098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.267098 (E_RNA)
where:
Base-Base interactions energy: -296.030
where: short stacking energy: -130.989
Base-Backbone interact. energy: -0.064
local terms energy: -123.172993
where:
bonds (distance) C4'-P energy: -24.736
bonds (distance) P-C4' energy: -26.681
flat angles C4'-P-C4' energy: -22.793
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -34.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -323.234394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.234394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.234394 (E_RNA)
where:
Base-Base interactions energy: -206.634
where: short stacking energy: -82.833
Base-Backbone interact. energy: -1.043
local terms energy: -115.558287
where:
bonds (distance) C4'-P energy: -27.523
bonds (distance) P-C4' energy: -22.752
flat angles C4'-P-C4' energy: -25.845
flat angles P-C4'-P energy: -21.753
tors. eta vs tors. theta energy: -17.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -257.592028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.592028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.592028 (E_RNA)
where:
Base-Base interactions energy: -148.722
where: short stacking energy: -83.292
Base-Backbone interact. energy: -0.319
local terms energy: -108.551054
where:
bonds (distance) C4'-P energy: -26.038
bonds (distance) P-C4' energy: -26.948
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: -21.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -337.950460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.950460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.950460 (E_RNA)
where:
Base-Base interactions energy: -230.487
where: short stacking energy: -89.543
Base-Backbone interact. energy: -0.434
local terms energy: -107.029499
where:
bonds (distance) C4'-P energy: -20.302
bonds (distance) P-C4' energy: -25.324
flat angles C4'-P-C4' energy: -27.652
flat angles P-C4'-P energy: -18.974
tors. eta vs tors. theta energy: -14.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -525.636119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.636119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.636119 (E_RNA)
where:
Base-Base interactions energy: -368.919
where: short stacking energy: -159.350
Base-Backbone interact. energy: 0.226
local terms energy: -156.943049
where:
bonds (distance) C4'-P energy: -30.338
bonds (distance) P-C4' energy: -28.951
flat angles C4'-P-C4' energy: -30.972
flat angles P-C4'-P energy: -19.628
tors. eta vs tors. theta energy: -47.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -531.911363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.911363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.911363 (E_RNA)
where:
Base-Base interactions energy: -368.518
where: short stacking energy: -156.258
Base-Backbone interact. energy: -0.007
local terms energy: -163.386191
where:
bonds (distance) C4'-P energy: -31.517
bonds (distance) P-C4' energy: -29.977
flat angles C4'-P-C4' energy: -29.756
flat angles P-C4'-P energy: -24.489
tors. eta vs tors. theta energy: -47.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -523.074583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.074583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.074583 (E_RNA)
where:
Base-Base interactions energy: -373.945
where: short stacking energy: -152.383
Base-Backbone interact. energy: -0.265
local terms energy: -148.864879
where:
bonds (distance) C4'-P energy: -28.414
bonds (distance) P-C4' energy: -26.773
flat angles C4'-P-C4' energy: -27.538
flat angles P-C4'-P energy: -21.913
tors. eta vs tors. theta energy: -44.227
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: 8
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -521.904322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.904322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.904322 (E_RNA)
where:
Base-Base interactions energy: -379.727
where: short stacking energy: -140.251
Base-Backbone interact. energy: -0.809
local terms energy: -141.368741
where:
bonds (distance) C4'-P energy: -28.782
bonds (distance) P-C4' energy: -22.292
flat angles C4'-P-C4' energy: -29.861
flat angles P-C4'-P energy: -21.095
tors. eta vs tors. theta energy: -39.339
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: 3
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -451.291807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.291807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.291807 (E_RNA)
where:
Base-Base interactions energy: -308.580
where: short stacking energy: -140.689
Base-Backbone interact. energy: -0.442
local terms energy: -142.269164
where:
bonds (distance) C4'-P energy: -27.085
bonds (distance) P-C4' energy: -21.613
flat angles C4'-P-C4' energy: -31.421
flat angles P-C4'-P energy: -21.363
tors. eta vs tors. theta energy: -40.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -414.696686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.696686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.696686 (E_RNA)
where:
Base-Base interactions energy: -286.299
where: short stacking energy: -114.405
Base-Backbone interact. energy: -0.403
local terms energy: -127.994880
where:
bonds (distance) C4'-P energy: -23.732
bonds (distance) P-C4' energy: -23.596
flat angles C4'-P-C4' energy: -28.267
flat angles P-C4'-P energy: -17.765
tors. eta vs tors. theta energy: -34.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -440.075052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.075052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.075052 (E_RNA)
where:
Base-Base interactions energy: -297.529
where: short stacking energy: -125.887
Base-Backbone interact. energy: -0.239
local terms energy: -142.307171
where:
bonds (distance) C4'-P energy: -27.033
bonds (distance) P-C4' energy: -26.213
flat angles C4'-P-C4' energy: -30.255
flat angles P-C4'-P energy: -19.443
tors. eta vs tors. theta energy: -39.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -343.477242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.477242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.477242 (E_RNA)
where:
Base-Base interactions energy: -235.989
where: short stacking energy: -101.781
Base-Backbone interact. energy: -0.229
local terms energy: -107.258502
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -26.954
flat angles P-C4'-P energy: -15.187
tors. eta vs tors. theta energy: -20.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -217.868992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.868992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.868992 (E_RNA)
where:
Base-Base interactions energy: -129.607
where: short stacking energy: -73.195
Base-Backbone interact. energy: -0.746
local terms energy: -87.516163
where:
bonds (distance) C4'-P energy: -22.767
bonds (distance) P-C4' energy: -21.824
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -15.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -364.807698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.807698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.807698 (E_RNA)
where:
Base-Base interactions energy: -250.083
where: short stacking energy: -112.813
Base-Backbone interact. energy: -1.346
local terms energy: -113.378381
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -24.508
flat angles C4'-P-C4' energy: -24.638
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -37.014
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: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -526.501381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.501381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.501381 (E_RNA)
where:
Base-Base interactions energy: -370.926
where: short stacking energy: -154.228
Base-Backbone interact. energy: -0.415
local terms energy: -155.160178
where:
bonds (distance) C4'-P energy: -29.539
bonds (distance) P-C4' energy: -32.157
flat angles C4'-P-C4' energy: -30.005
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -46.786
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: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -532.103934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.103934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.103934 (E_RNA)
where:
Base-Base interactions energy: -370.030
where: short stacking energy: -154.844
Base-Backbone interact. energy: -0.488
local terms energy: -161.586507
where:
bonds (distance) C4'-P energy: -29.933
bonds (distance) P-C4' energy: -30.803
flat angles C4'-P-C4' energy: -28.788
flat angles P-C4'-P energy: -22.232
tors. eta vs tors. theta energy: -49.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -521.057645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.057645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.057645 (E_RNA)
where:
Base-Base interactions energy: -374.335
where: short stacking energy: -150.825
Base-Backbone interact. energy: -0.789
local terms energy: -145.934118
where:
bonds (distance) C4'-P energy: -23.385
bonds (distance) P-C4' energy: -25.384
flat angles C4'-P-C4' energy: -30.242
flat angles P-C4'-P energy: -22.230
tors. eta vs tors. theta energy: -44.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -517.585138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.585138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.585138 (E_RNA)
where:
Base-Base interactions energy: -361.897
where: short stacking energy: -153.396
Base-Backbone interact. energy: -0.182
local terms energy: -155.506506
where:
bonds (distance) C4'-P energy: -28.339
bonds (distance) P-C4' energy: -26.911
flat angles C4'-P-C4' energy: -33.533
flat angles P-C4'-P energy: -20.174
tors. eta vs tors. theta energy: -46.550
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: 3
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -450.863570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.863570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.863570 (E_RNA)
where:
Base-Base interactions energy: -302.654
where: short stacking energy: -146.250
Base-Backbone interact. energy: -0.622
local terms energy: -147.587128
where:
bonds (distance) C4'-P energy: -23.382
bonds (distance) P-C4' energy: -26.856
flat angles C4'-P-C4' energy: -32.822
flat angles P-C4'-P energy: -21.490
tors. eta vs tors. theta energy: -43.037
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: 9
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -431.657975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.657975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.657975 (E_RNA)
where:
Base-Base interactions energy: -316.822
where: short stacking energy: -138.235
Base-Backbone interact. energy: -0.206
local terms energy: -114.630366
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -21.763
flat angles C4'-P-C4' energy: -22.095
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -36.061
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: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -430.590741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.590741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.590741 (E_RNA)
where:
Base-Base interactions energy: -296.774
where: short stacking energy: -133.357
Base-Backbone interact. energy: -0.015
local terms energy: -133.801240
where:
bonds (distance) C4'-P energy: -22.675
bonds (distance) P-C4' energy: -25.604
flat angles C4'-P-C4' energy: -28.481
flat angles P-C4'-P energy: -14.075
tors. eta vs tors. theta energy: -42.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -351.427096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.427096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.427096 (E_RNA)
where:
Base-Base interactions energy: -231.794
where: short stacking energy: -93.536
Base-Backbone interact. energy: 0.041
local terms energy: -119.673887
where:
bonds (distance) C4'-P energy: -27.560
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -27.898
flat angles P-C4'-P energy: -17.836
tors. eta vs tors. theta energy: -29.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -332.329755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.329755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.329755 (E_RNA)
where:
Base-Base interactions energy: -225.046
where: short stacking energy: -99.860
Base-Backbone interact. energy: -0.133
local terms energy: -107.151147
where:
bonds (distance) C4'-P energy: -28.134
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -23.011
flat angles P-C4'-P energy: -13.231
tors. eta vs tors. theta energy: -25.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -205.765104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.765104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.765104 (E_RNA)
where:
Base-Base interactions energy: -109.674
where: short stacking energy: -59.633
Base-Backbone interact. energy: -0.165
local terms energy: -95.926571
where:
bonds (distance) C4'-P energy: -24.880
bonds (distance) P-C4' energy: -27.290
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: -9.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -529.874015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.874015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.874015 (E_RNA)
where:
Base-Base interactions energy: -372.966
where: short stacking energy: -160.811
Base-Backbone interact. energy: -0.006
local terms energy: -156.901653
where:
bonds (distance) C4'-P energy: -30.533
bonds (distance) P-C4' energy: -26.272
flat angles C4'-P-C4' energy: -29.535
flat angles P-C4'-P energy: -22.997
tors. eta vs tors. theta energy: -47.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -532.570482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.570482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.570482 (E_RNA)
where:
Base-Base interactions energy: -373.180
where: short stacking energy: -157.194
Base-Backbone interact. energy: -0.166
local terms energy: -159.224636
where:
bonds (distance) C4'-P energy: -25.975
bonds (distance) P-C4' energy: -30.059
flat angles C4'-P-C4' energy: -29.183
flat angles P-C4'-P energy: -24.135
tors. eta vs tors. theta energy: -49.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -518.730100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.730100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.730100 (E_RNA)
where:
Base-Base interactions energy: -372.314
where: short stacking energy: -160.815
Base-Backbone interact. energy: -0.983
local terms energy: -145.433068
where:
bonds (distance) C4'-P energy: -23.553
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -31.339
flat angles P-C4'-P energy: -23.286
tors. eta vs tors. theta energy: -44.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -448.441552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.441552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.441552 (E_RNA)
where:
Base-Base interactions energy: -308.321
where: short stacking energy: -141.856
Base-Backbone interact. energy: -0.723
local terms energy: -139.397479
where:
bonds (distance) C4'-P energy: -27.021
bonds (distance) P-C4' energy: -22.966
flat angles C4'-P-C4' energy: -33.254
flat angles P-C4'-P energy: -17.372
tors. eta vs tors. theta energy: -38.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -500.555634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.555634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.555634 (E_RNA)
where:
Base-Base interactions energy: -355.205
where: short stacking energy: -151.485
Base-Backbone interact. energy: -0.134
local terms energy: -145.215987
where:
bonds (distance) C4'-P energy: -25.458
bonds (distance) P-C4' energy: -24.218
flat angles C4'-P-C4' energy: -28.739
flat angles P-C4'-P energy: -23.339
tors. eta vs tors. theta energy: -43.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -451.333539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.333539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.333539 (E_RNA)
where:
Base-Base interactions energy: -323.264
where: short stacking energy: -134.301
Base-Backbone interact. energy: -0.711
local terms energy: -127.358746
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -26.105
flat angles C4'-P-C4' energy: -24.724
flat angles P-C4'-P energy: -16.432
tors. eta vs tors. theta energy: -43.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -419.398754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.398754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.398754 (E_RNA)
where:
Base-Base interactions energy: -291.495
where: short stacking energy: -119.584
Base-Backbone interact. energy: 1.826
local terms energy: -129.729560
where:
bonds (distance) C4'-P energy: -24.793
bonds (distance) P-C4' energy: -22.940
flat angles C4'-P-C4' energy: -23.120
flat angles P-C4'-P energy: -21.718
tors. eta vs tors. theta energy: -37.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -375.198405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.198405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.198405 (E_RNA)
where:
Base-Base interactions energy: -266.165
where: short stacking energy: -100.547
Base-Backbone interact. energy: -0.691
local terms energy: -108.343106
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -25.375
flat angles C4'-P-C4' energy: -23.477
flat angles P-C4'-P energy: -17.945
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: 9, replica: 1
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -318.199281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.199281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.199281 (E_RNA)
where:
Base-Base interactions energy: -209.853
where: short stacking energy: -100.436
Base-Backbone interact. energy: -0.552
local terms energy: -107.793916
where:
bonds (distance) C4'-P energy: -23.740
bonds (distance) P-C4' energy: -27.700
flat angles C4'-P-C4' energy: -22.485
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -21.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -190.681608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.681608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.681608 (E_RNA)
where:
Base-Base interactions energy: -95.975
where: short stacking energy: -51.919
Base-Backbone interact. energy: 1.051
local terms energy: -95.758178
where:
bonds (distance) C4'-P energy: -26.617
bonds (distance) P-C4' energy: -23.562
flat angles C4'-P-C4' energy: -25.115
flat angles P-C4'-P energy: -14.998
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: 1, replica: 10
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -537.723732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.723732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.723732 (E_RNA)
where:
Base-Base interactions energy: -372.755
where: short stacking energy: -155.298
Base-Backbone interact. energy: -0.818
local terms energy: -164.150016
where:
bonds (distance) C4'-P energy: -29.070
bonds (distance) P-C4' energy: -29.076
flat angles C4'-P-C4' energy: -32.114
flat angles P-C4'-P energy: -25.186
tors. eta vs tors. theta energy: -48.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -535.606625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.606625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.606625 (E_RNA)
where:
Base-Base interactions energy: -383.542
where: short stacking energy: -155.981
Base-Backbone interact. energy: -0.125
local terms energy: -151.939165
where:
bonds (distance) C4'-P energy: -27.377
bonds (distance) P-C4' energy: -27.353
flat angles C4'-P-C4' energy: -32.805
flat angles P-C4'-P energy: -14.981
tors. eta vs tors. theta energy: -49.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -517.261258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.261258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.261258 (E_RNA)
where:
Base-Base interactions energy: -375.564
where: short stacking energy: -152.213
Base-Backbone interact. energy: -0.273
local terms energy: -141.424958
where:
bonds (distance) C4'-P energy: -22.656
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -30.837
flat angles P-C4'-P energy: -19.837
tors. eta vs tors. theta energy: -46.184
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: 3
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -468.484727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.484727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.484727 (E_RNA)
where:
Base-Base interactions energy: -323.696
where: short stacking energy: -135.383
Base-Backbone interact. energy: -0.003
local terms energy: -144.785500
where:
bonds (distance) C4'-P energy: -27.622
bonds (distance) P-C4' energy: -26.408
flat angles C4'-P-C4' energy: -28.690
flat angles P-C4'-P energy: -19.196
tors. eta vs tors. theta energy: -42.869
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: 8
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -508.828543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.828543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.828543 (E_RNA)
where:
Base-Base interactions energy: -369.303
where: short stacking energy: -151.213
Base-Backbone interact. energy: -0.009
local terms energy: -139.517148
where:
bonds (distance) C4'-P energy: -28.541
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -29.902
flat angles P-C4'-P energy: -17.195
tors. eta vs tors. theta energy: -47.343
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: 9
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -429.618707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.618707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.618707 (E_RNA)
where:
Base-Base interactions energy: -291.561
where: short stacking energy: -129.093
Base-Backbone interact. energy: -0.978
local terms energy: -137.080254
where:
bonds (distance) C4'-P energy: -26.790
bonds (distance) P-C4' energy: -22.383
flat angles C4'-P-C4' energy: -33.442
flat angles P-C4'-P energy: -23.323
tors. eta vs tors. theta energy: -31.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -448.008880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.008880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.008880 (E_RNA)
where:
Base-Base interactions energy: -313.854
where: short stacking energy: -131.774
Base-Backbone interact. energy: -0.031
local terms energy: -134.123788
where:
bonds (distance) C4'-P energy: -29.192
bonds (distance) P-C4' energy: -25.817
flat angles C4'-P-C4' energy: -23.970
flat angles P-C4'-P energy: -23.373
tors. eta vs tors. theta energy: -31.771
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: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -387.180550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.180550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.180550 (E_RNA)
where:
Base-Base interactions energy: -274.801
where: short stacking energy: -106.542
Base-Backbone interact. energy: -0.272
local terms energy: -112.107148
where:
bonds (distance) C4'-P energy: -26.260
bonds (distance) P-C4' energy: -26.101
flat angles C4'-P-C4' energy: -28.256
flat angles P-C4'-P energy: -8.969
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: 9, replica: 1
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -323.135782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.135782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.135782 (E_RNA)
where:
Base-Base interactions energy: -207.494
where: short stacking energy: -92.289
Base-Backbone interact. energy: -0.138
local terms energy: -115.503189
where:
bonds (distance) C4'-P energy: -25.282
bonds (distance) P-C4' energy: -22.173
flat angles C4'-P-C4' energy: -25.214
flat angles P-C4'-P energy: -19.861
tors. eta vs tors. theta energy: -22.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -215.880576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.880576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.880576 (E_RNA)
where:
Base-Base interactions energy: -122.562
where: short stacking energy: -64.490
Base-Backbone interact. energy: -0.535
local terms energy: -92.783474
where:
bonds (distance) C4'-P energy: -20.856
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -29.659
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -11.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -536.819109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.819109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.819109 (E_RNA)
where:
Base-Base interactions energy: -380.433
where: short stacking energy: -153.205
Base-Backbone interact. energy: -0.099
local terms energy: -156.286538
where:
bonds (distance) C4'-P energy: -26.484
bonds (distance) P-C4' energy: -34.446
flat angles C4'-P-C4' energy: -27.301
flat angles P-C4'-P energy: -21.134
tors. eta vs tors. theta energy: -46.922
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: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -537.789021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.789021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.789021 (E_RNA)
where:
Base-Base interactions energy: -373.454
where: short stacking energy: -154.384
Base-Backbone interact. energy: -0.125
local terms energy: -164.209832
where:
bonds (distance) C4'-P energy: -32.433
bonds (distance) P-C4' energy: -28.584
flat angles C4'-P-C4' energy: -30.999
flat angles P-C4'-P energy: -25.635
tors. eta vs tors. theta energy: -46.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -512.063380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.063380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.063380 (E_RNA)
where:
Base-Base interactions energy: -362.810
where: short stacking energy: -145.148
Base-Backbone interact. energy: -0.154
local terms energy: -149.098804
where:
bonds (distance) C4'-P energy: -25.018
bonds (distance) P-C4' energy: -24.451
flat angles C4'-P-C4' energy: -34.262
flat angles P-C4'-P energy: -18.668
tors. eta vs tors. theta energy: -46.700
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: 8
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -512.333518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.333518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.333518 (E_RNA)
where:
Base-Base interactions energy: -358.461
where: short stacking energy: -147.914
Base-Backbone interact. energy: -0.705
local terms energy: -153.167092
where:
bonds (distance) C4'-P energy: -25.453
bonds (distance) P-C4' energy: -27.417
flat angles C4'-P-C4' energy: -33.442
flat angles P-C4'-P energy: -23.606
tors. eta vs tors. theta energy: -43.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -454.154796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.154796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.154796 (E_RNA)
where:
Base-Base interactions energy: -313.508
where: short stacking energy: -131.112
Base-Backbone interact. energy: -0.325
local terms energy: -140.321230
where:
bonds (distance) C4'-P energy: -27.292
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -29.325
flat angles P-C4'-P energy: -15.451
tors. eta vs tors. theta energy: -46.338
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: 377
Temperature: 1.150000
Total energy: -434.263518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.263518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.263518 (E_RNA)
where:
Base-Base interactions energy: -304.490
where: short stacking energy: -132.559
Base-Backbone interact. energy: -0.328
local terms energy: -129.445645
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -27.934
flat angles C4'-P-C4' energy: -28.159
flat angles P-C4'-P energy: -22.111
tors. eta vs tors. theta energy: -32.899
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: 9
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -438.011564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.011564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.011564 (E_RNA)
where:
Base-Base interactions energy: -314.417
where: short stacking energy: -140.536
Base-Backbone interact. energy: -0.286
local terms energy: -123.308012
where:
bonds (distance) C4'-P energy: -22.303
bonds (distance) P-C4' energy: -25.567
flat angles C4'-P-C4' energy: -29.507
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -32.354
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: 8, replica: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -361.223911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.223911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.223911 (E_RNA)
where:
Base-Base interactions energy: -240.580
where: short stacking energy: -110.802
Base-Backbone interact. energy: -0.790
local terms energy: -119.853718
where:
bonds (distance) C4'-P energy: -25.661
bonds (distance) P-C4' energy: -28.913
flat angles C4'-P-C4' energy: -24.364
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -25.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -328.368959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.368959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.368959 (E_RNA)
where:
Base-Base interactions energy: -220.306
where: short stacking energy: -91.318
Base-Backbone interact. energy: -0.220
local terms energy: -107.843254
where:
bonds (distance) C4'-P energy: -22.608
bonds (distance) P-C4' energy: -23.934
flat angles C4'-P-C4' energy: -23.313
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -22.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -203.019286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.019286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.019286 (E_RNA)
where:
Base-Base interactions energy: -128.560
where: short stacking energy: -65.156
Base-Backbone interact. energy: -0.233
local terms energy: -74.225909
where:
bonds (distance) C4'-P energy: -22.422
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -5.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -535.657316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.657316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.657316 (E_RNA)
where:
Base-Base interactions energy: -382.081
where: short stacking energy: -151.562
Base-Backbone interact. energy: -0.009
local terms energy: -153.567542
where:
bonds (distance) C4'-P energy: -30.920
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -29.901
flat angles P-C4'-P energy: -21.077
tors. eta vs tors. theta energy: -47.369
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: 10
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -528.423735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.423735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.423735 (E_RNA)
where:
Base-Base interactions energy: -379.162
where: short stacking energy: -158.877
Base-Backbone interact. energy: -0.005
local terms energy: -149.256510
where:
bonds (distance) C4'-P energy: -22.517
bonds (distance) P-C4' energy: -30.044
flat angles C4'-P-C4' energy: -29.802
flat angles P-C4'-P energy: -18.291
tors. eta vs tors. theta energy: -48.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -522.324562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.324562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.324562 (E_RNA)
where:
Base-Base interactions energy: -356.303
where: short stacking energy: -156.038
Base-Backbone interact. energy: -0.892
local terms energy: -165.128785
where:
bonds (distance) C4'-P energy: -29.803
bonds (distance) P-C4' energy: -33.295
flat angles C4'-P-C4' energy: -29.458
flat angles P-C4'-P energy: -23.571
tors. eta vs tors. theta energy: -49.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -505.800543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.800543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.800543 (E_RNA)
where:
Base-Base interactions energy: -356.284
where: short stacking energy: -144.547
Base-Backbone interact. energy: -0.217
local terms energy: -149.299364
where:
bonds (distance) C4'-P energy: -26.008
bonds (distance) P-C4' energy: -22.503
flat angles C4'-P-C4' energy: -32.997
flat angles P-C4'-P energy: -17.960
tors. eta vs tors. theta energy: -49.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -454.706148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.706148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.706148 (E_RNA)
where:
Base-Base interactions energy: -323.562
where: short stacking energy: -139.845
Base-Backbone interact. energy: -0.548
local terms energy: -130.596229
where:
bonds (distance) C4'-P energy: -21.961
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -30.095
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -37.744
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: 3
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -434.827681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.827681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.827681 (E_RNA)
where:
Base-Base interactions energy: -287.821
where: short stacking energy: -127.752
Base-Backbone interact. energy: -0.321
local terms energy: -146.685059
where:
bonds (distance) C4'-P energy: -26.670
bonds (distance) P-C4' energy: -26.916
flat angles C4'-P-C4' energy: -30.709
flat angles P-C4'-P energy: -21.745
tors. eta vs tors. theta energy: -40.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -412.406755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.406755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.406755 (E_RNA)
where:
Base-Base interactions energy: -293.110
where: short stacking energy: -123.449
Base-Backbone interact. energy: -0.104
local terms energy: -119.192820
where:
bonds (distance) C4'-P energy: -28.946
bonds (distance) P-C4' energy: -23.545
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: -28.814
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: 378
Temperature: 1.250000
Total energy: -349.228300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.228300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.228300 (E_RNA)
where:
Base-Base interactions energy: -251.340
where: short stacking energy: -98.328
Base-Backbone interact. energy: -0.740
local terms energy: -97.147853
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -22.601
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: 4
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -343.941960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.941960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.941960 (E_RNA)
where:
Base-Base interactions energy: -229.203
where: short stacking energy: -99.934
Base-Backbone interact. energy: 0.330
local terms energy: -115.069103
where:
bonds (distance) C4'-P energy: -22.886
bonds (distance) P-C4' energy: -29.837
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -15.787
tors. eta vs tors. theta energy: -24.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -155.357448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.357448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.357448 (E_RNA)
where:
Base-Base interactions energy: -75.864
where: short stacking energy: -49.168
Base-Backbone interact. energy: 1.287
local terms energy: -80.780478
where:
bonds (distance) C4'-P energy: -27.196
bonds (distance) P-C4' energy: -24.818
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: 1.060
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: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -526.522301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.522301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.522301 (E_RNA)
where:
Base-Base interactions energy: -369.973
where: short stacking energy: -157.760
Base-Backbone interact. energy: -0.295
local terms energy: -156.254063
where:
bonds (distance) C4'-P energy: -29.464
bonds (distance) P-C4' energy: -27.196
flat angles C4'-P-C4' energy: -31.785
flat angles P-C4'-P energy: -22.491
tors. eta vs tors. theta energy: -45.319
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: 8
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -529.592308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.592308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.592308 (E_RNA)
where:
Base-Base interactions energy: -361.405
where: short stacking energy: -148.916
Base-Backbone interact. energy: -0.021
local terms energy: -168.165652
where:
bonds (distance) C4'-P energy: -25.694
bonds (distance) P-C4' energy: -32.695
flat angles C4'-P-C4' energy: -33.776
flat angles P-C4'-P energy: -25.754
tors. eta vs tors. theta energy: -50.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -517.263665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.263665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.263665 (E_RNA)
where:
Base-Base interactions energy: -359.809
where: short stacking energy: -140.052
Base-Backbone interact. energy: -1.090
local terms energy: -156.364544
where:
bonds (distance) C4'-P energy: -26.134
bonds (distance) P-C4' energy: -28.942
flat angles C4'-P-C4' energy: -32.273
flat angles P-C4'-P energy: -24.627
tors. eta vs tors. theta energy: -44.388
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: 4, replica: 5
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -508.248678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.248678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.248678 (E_RNA)
where:
Base-Base interactions energy: -358.713
where: short stacking energy: -154.915
Base-Backbone interact. energy: -1.271
local terms energy: -148.263970
where:
bonds (distance) C4'-P energy: -25.327
bonds (distance) P-C4' energy: -29.415
flat angles C4'-P-C4' energy: -28.486
flat angles P-C4'-P energy: -16.951
tors. eta vs tors. theta energy: -48.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -455.778747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.778747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.778747 (E_RNA)
where:
Base-Base interactions energy: -309.228
where: short stacking energy: -135.433
Base-Backbone interact. energy: -0.003
local terms energy: -146.548261
where:
bonds (distance) C4'-P energy: -17.318
bonds (distance) P-C4' energy: -31.359
flat angles C4'-P-C4' energy: -31.642
flat angles P-C4'-P energy: -23.004
tors. eta vs tors. theta energy: -43.225
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: 3
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -417.076021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.076021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.076021 (E_RNA)
where:
Base-Base interactions energy: -287.065
where: short stacking energy: -124.142
Base-Backbone interact. energy: -0.616
local terms energy: -129.395175
where:
bonds (distance) C4'-P energy: -23.664
bonds (distance) P-C4' energy: -25.426
flat angles C4'-P-C4' energy: -28.607
flat angles P-C4'-P energy: -17.857
tors. eta vs tors. theta energy: -33.842
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: 9
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -423.302850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.302850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.302850 (E_RNA)
where:
Base-Base interactions energy: -299.177
where: short stacking energy: -113.969
Base-Backbone interact. energy: 0.516
local terms energy: -124.642268
where:
bonds (distance) C4'-P energy: -21.212
bonds (distance) P-C4' energy: -22.576
flat angles C4'-P-C4' energy: -32.265
flat angles P-C4'-P energy: -19.545
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: 8, replica: 1
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -361.664231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.664231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.664231 (E_RNA)
where:
Base-Base interactions energy: -263.147
where: short stacking energy: -108.729
Base-Backbone interact. energy: -1.688
local terms energy: -96.829558
where:
bonds (distance) C4'-P energy: -20.476
bonds (distance) P-C4' energy: -21.140
flat angles C4'-P-C4' energy: -22.199
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -25.347
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: 4
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -343.409700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.409700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.409700 (E_RNA)
where:
Base-Base interactions energy: -230.047
where: short stacking energy: -99.927
Base-Backbone interact. energy: 1.175
local terms energy: -114.538328
where:
bonds (distance) C4'-P energy: -21.039
bonds (distance) P-C4' energy: -20.248
flat angles C4'-P-C4' energy: -26.626
flat angles P-C4'-P energy: -22.343
tors. eta vs tors. theta energy: -24.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -135.021222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.021222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.021222 (E_RNA)
where:
Base-Base interactions energy: -40.480
where: short stacking energy: -39.583
Base-Backbone interact. energy: 0.204
local terms energy: -94.745295
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -28.477
flat angles C4'-P-C4' energy: -21.601
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -13.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -539.906894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.906894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.906894 (E_RNA)
where:
Base-Base interactions energy: -380.318
where: short stacking energy: -163.911
Base-Backbone interact. energy: -0.652
local terms energy: -158.937799
where:
bonds (distance) C4'-P energy: -24.376
bonds (distance) P-C4' energy: -31.758
flat angles C4'-P-C4' energy: -30.815
flat angles P-C4'-P energy: -22.592
tors. eta vs tors. theta energy: -49.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -535.242376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.242376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.242376 (E_RNA)
where:
Base-Base interactions energy: -370.224
where: short stacking energy: -155.101
Base-Backbone interact. energy: -0.004
local terms energy: -165.013917
where:
bonds (distance) C4'-P energy: -30.947
bonds (distance) P-C4' energy: -29.127
flat angles C4'-P-C4' energy: -29.614
flat angles P-C4'-P energy: -24.582
tors. eta vs tors. theta energy: -50.743
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: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -518.302384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.302384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.302384 (E_RNA)
where:
Base-Base interactions energy: -368.888
where: short stacking energy: -148.344
Base-Backbone interact. energy: -0.314
local terms energy: -149.100226
where:
bonds (distance) C4'-P energy: -27.725
bonds (distance) P-C4' energy: -26.866
flat angles C4'-P-C4' energy: -27.999
flat angles P-C4'-P energy: -20.788
tors. eta vs tors. theta energy: -45.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -513.391898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.391898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.391898 (E_RNA)
where:
Base-Base interactions energy: -358.416
where: short stacking energy: -148.831
Base-Backbone interact. energy: -0.005
local terms energy: -154.970905
where:
bonds (distance) C4'-P energy: -28.289
bonds (distance) P-C4' energy: -28.318
flat angles C4'-P-C4' energy: -29.882
flat angles P-C4'-P energy: -21.019
tors. eta vs tors. theta energy: -47.463
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: 3
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -441.071568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.071568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.071568 (E_RNA)
where:
Base-Base interactions energy: -314.295
where: short stacking energy: -143.103
Base-Backbone interact. energy: -0.469
local terms energy: -126.307346
where:
bonds (distance) C4'-P energy: -25.473
bonds (distance) P-C4' energy: -20.649
flat angles C4'-P-C4' energy: -26.628
flat angles P-C4'-P energy: -16.485
tors. eta vs tors. theta energy: -37.073
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: 6
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -437.619387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.619387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.619387 (E_RNA)
where:
Base-Base interactions energy: -301.022
where: short stacking energy: -140.971
Base-Backbone interact. energy: -0.733
local terms energy: -135.864770
where:
bonds (distance) C4'-P energy: -20.980
bonds (distance) P-C4' energy: -20.731
flat angles C4'-P-C4' energy: -34.581
flat angles P-C4'-P energy: -19.593
tors. eta vs tors. theta energy: -39.980
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: 7, replica: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -418.602865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.602865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.602865 (E_RNA)
where:
Base-Base interactions energy: -298.136
where: short stacking energy: -121.349
Base-Backbone interact. energy: 1.575
local terms energy: -122.041708
where:
bonds (distance) C4'-P energy: -22.463
bonds (distance) P-C4' energy: -23.864
flat angles C4'-P-C4' energy: -26.333
flat angles P-C4'-P energy: -18.897
tors. eta vs tors. theta energy: -30.485
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: 8, replica: 1
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -350.269439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.269439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.269439 (E_RNA)
where:
Base-Base interactions energy: -226.287
where: short stacking energy: -103.371
Base-Backbone interact. energy: 2.839
local terms energy: -126.821389
where:
bonds (distance) C4'-P energy: -22.926
bonds (distance) P-C4' energy: -30.929
flat angles C4'-P-C4' energy: -27.391
flat angles P-C4'-P energy: -16.109
tors. eta vs tors. theta energy: -29.468
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: 4
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -303.847886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.847886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.847886 (E_RNA)
where:
Base-Base interactions energy: -197.723
where: short stacking energy: -78.343
Base-Backbone interact. energy: -1.357
local terms energy: -104.766950
where:
bonds (distance) C4'-P energy: -24.634
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -30.132
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -13.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -133.524522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.524522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.524522 (E_RNA)
where:
Base-Base interactions energy: -50.182
where: short stacking energy: -47.731
Base-Backbone interact. energy: 0.729
local terms energy: -84.071428
where:
bonds (distance) C4'-P energy: -18.937
bonds (distance) P-C4' energy: -29.459
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -18.196
tors. eta vs tors. theta energy: -2.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -533.971929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.971929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.971929 (E_RNA)
where:
Base-Base interactions energy: -376.577
where: short stacking energy: -149.609
Base-Backbone interact. energy: -0.983
local terms energy: -156.411793
where:
bonds (distance) C4'-P energy: -28.282
bonds (distance) P-C4' energy: -27.277
flat angles C4'-P-C4' energy: -31.962
flat angles P-C4'-P energy: -23.875
tors. eta vs tors. theta energy: -45.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -521.283821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.283821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.283821 (E_RNA)
where:
Base-Base interactions energy: -365.849
where: short stacking energy: -155.929
Base-Backbone interact. energy: -0.624
local terms energy: -154.811189
where:
bonds (distance) C4'-P energy: -26.123
bonds (distance) P-C4' energy: -31.781
flat angles C4'-P-C4' energy: -31.728
flat angles P-C4'-P energy: -18.454
tors. eta vs tors. theta energy: -46.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -526.659266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.659266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.659266 (E_RNA)
where:
Base-Base interactions energy: -379.371
where: short stacking energy: -157.072
Base-Backbone interact. energy: -0.015
local terms energy: -147.273301
where:
bonds (distance) C4'-P energy: -30.798
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -27.346
flat angles P-C4'-P energy: -23.654
tors. eta vs tors. theta energy: -44.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -515.147035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.147035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.147035 (E_RNA)
where:
Base-Base interactions energy: -363.564
where: short stacking energy: -142.699
Base-Backbone interact. energy: -0.131
local terms energy: -151.451909
where:
bonds (distance) C4'-P energy: -24.438
bonds (distance) P-C4' energy: -26.886
flat angles C4'-P-C4' energy: -29.903
flat angles P-C4'-P energy: -23.441
tors. eta vs tors. theta energy: -46.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -463.082597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.082597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.082597 (E_RNA)
where:
Base-Base interactions energy: -327.980
where: short stacking energy: -147.769
Base-Backbone interact. energy: -0.381
local terms energy: -134.721308
where:
bonds (distance) C4'-P energy: -22.508
bonds (distance) P-C4' energy: -25.059
flat angles C4'-P-C4' energy: -29.400
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -43.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -436.141367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.141367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.141367 (E_RNA)
where:
Base-Base interactions energy: -312.661
where: short stacking energy: -138.127
Base-Backbone interact. energy: -0.183
local terms energy: -123.297898
where:
bonds (distance) C4'-P energy: -21.545
bonds (distance) P-C4' energy: -27.728
flat angles C4'-P-C4' energy: -21.444
flat angles P-C4'-P energy: -20.243
tors. eta vs tors. theta energy: -32.338
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: 9
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -425.381292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.381292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.381292 (E_RNA)
where:
Base-Base interactions energy: -306.935
where: short stacking energy: -135.237
Base-Backbone interact. energy: -0.613
local terms energy: -117.832863
where:
bonds (distance) C4'-P energy: -19.886
bonds (distance) P-C4' energy: -19.444
flat angles C4'-P-C4' energy: -28.157
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -38.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -355.183027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.183027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.183027 (E_RNA)
where:
Base-Base interactions energy: -244.432
where: short stacking energy: -110.330
Base-Backbone interact. energy: -0.179
local terms energy: -110.571184
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -21.787
flat angles C4'-P-C4' energy: -24.538
flat angles P-C4'-P energy: -15.098
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: 9, replica: 4
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -334.682308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.682308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.682308 (E_RNA)
where:
Base-Base interactions energy: -233.893
where: short stacking energy: -103.814
Base-Backbone interact. energy: 4.999
local terms energy: -105.788799
where:
bonds (distance) C4'-P energy: -22.216
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -24.561
flat angles P-C4'-P energy: -15.957
tors. eta vs tors. theta energy: -25.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -125.870994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.870994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.870994 (E_RNA)
where:
Base-Base interactions energy: -40.861
where: short stacking energy: -37.908
Base-Backbone interact. energy: 1.313
local terms energy: -86.322710
where:
bonds (distance) C4'-P energy: -24.553
bonds (distance) P-C4' energy: -25.431
flat angles C4'-P-C4' energy: -25.141
flat angles P-C4'-P energy: -18.926
tors. eta vs tors. theta energy: 7.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -536.447270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.447270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.447270 (E_RNA)
where:
Base-Base interactions energy: -377.570
where: short stacking energy: -160.222
Base-Backbone interact. energy: -0.024
local terms energy: -158.853085
where:
bonds (distance) C4'-P energy: -22.823
bonds (distance) P-C4' energy: -31.536
flat angles C4'-P-C4' energy: -33.186
flat angles P-C4'-P energy: -25.660
tors. eta vs tors. theta energy: -45.648
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: 382
Temperature: 0.950000
Total energy: -516.549690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.549690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.549690 (E_RNA)
where:
Base-Base interactions energy: -358.194
where: short stacking energy: -146.081
Base-Backbone interact. energy: -0.306
local terms energy: -158.049763
where:
bonds (distance) C4'-P energy: -32.465
bonds (distance) P-C4' energy: -30.549
flat angles C4'-P-C4' energy: -31.944
flat angles P-C4'-P energy: -16.908
tors. eta vs tors. theta energy: -46.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -530.407654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.407654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.407654 (E_RNA)
where:
Base-Base interactions energy: -372.142
where: short stacking energy: -155.664
Base-Backbone interact. energy: -0.010
local terms energy: -158.255303
where:
bonds (distance) C4'-P energy: -29.212
bonds (distance) P-C4' energy: -27.301
flat angles C4'-P-C4' energy: -32.673
flat angles P-C4'-P energy: -20.957
tors. eta vs tors. theta energy: -48.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -514.300040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.300040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.300040 (E_RNA)
where:
Base-Base interactions energy: -355.296
where: short stacking energy: -150.358
Base-Backbone interact. energy: -0.044
local terms energy: -158.960829
where:
bonds (distance) C4'-P energy: -30.457
bonds (distance) P-C4' energy: -27.408
flat angles C4'-P-C4' energy: -29.715
flat angles P-C4'-P energy: -25.907
tors. eta vs tors. theta energy: -45.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -452.328163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.328163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.328163 (E_RNA)
where:
Base-Base interactions energy: -308.142
where: short stacking energy: -133.470
Base-Backbone interact. energy: -0.121
local terms energy: -144.064756
where:
bonds (distance) C4'-P energy: -27.666
bonds (distance) P-C4' energy: -28.981
flat angles C4'-P-C4' energy: -26.946
flat angles P-C4'-P energy: -23.128
tors. eta vs tors. theta energy: -37.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -433.215643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.215643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.215643 (E_RNA)
where:
Base-Base interactions energy: -289.077
where: short stacking energy: -130.925
Base-Backbone interact. energy: -0.246
local terms energy: -143.892888
where:
bonds (distance) C4'-P energy: -27.481
bonds (distance) P-C4' energy: -25.997
flat angles C4'-P-C4' energy: -29.317
flat angles P-C4'-P energy: -22.056
tors. eta vs tors. theta energy: -39.041
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: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -422.010736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.010736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.010736 (E_RNA)
where:
Base-Base interactions energy: -300.901
where: short stacking energy: -120.152
Base-Backbone interact. energy: 0.439
local terms energy: -121.548992
where:
bonds (distance) C4'-P energy: -20.375
bonds (distance) P-C4' energy: -19.797
flat angles C4'-P-C4' energy: -30.670
flat angles P-C4'-P energy: -19.655
tors. eta vs tors. theta energy: -31.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -316.598718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.598718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.598718 (E_RNA)
where:
Base-Base interactions energy: -210.269
where: short stacking energy: -86.061
Base-Backbone interact. energy: -0.316
local terms energy: -106.013344
where:
bonds (distance) C4'-P energy: -25.092
bonds (distance) P-C4' energy: -28.093
flat angles C4'-P-C4' energy: -23.687
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -15.560
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: 4
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -332.444567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.444567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.444567 (E_RNA)
where:
Base-Base interactions energy: -223.782
where: short stacking energy: -89.786
Base-Backbone interact. energy: -0.339
local terms energy: -108.323054
where:
bonds (distance) C4'-P energy: -26.521
bonds (distance) P-C4' energy: -25.725
flat angles C4'-P-C4' energy: -20.653
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -24.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -134.123140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.123140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.123140 (E_RNA)
where:
Base-Base interactions energy: -58.269
where: short stacking energy: -45.372
Base-Backbone interact. energy: -0.609
local terms energy: -75.244382
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -26.509
flat angles C4'-P-C4' energy: -18.885
flat angles P-C4'-P energy: -16.106
tors. eta vs tors. theta energy: 7.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -540.619774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.619774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.619774 (E_RNA)
where:
Base-Base interactions energy: -376.468
where: short stacking energy: -161.027
Base-Backbone interact. energy: -0.009
local terms energy: -164.142943
where:
bonds (distance) C4'-P energy: -32.472
bonds (distance) P-C4' energy: -28.429
flat angles C4'-P-C4' energy: -31.452
flat angles P-C4'-P energy: -27.159
tors. eta vs tors. theta energy: -44.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -535.794061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.794061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.794061 (E_RNA)
where:
Base-Base interactions energy: -376.919
where: short stacking energy: -153.661
Base-Backbone interact. energy: -0.033
local terms energy: -158.842093
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -29.550
flat angles C4'-P-C4' energy: -34.037
flat angles P-C4'-P energy: -22.225
tors. eta vs tors. theta energy: -49.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -501.768839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.768839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.768839 (E_RNA)
where:
Base-Base interactions energy: -358.234
where: short stacking energy: -143.614
Base-Backbone interact. energy: -0.588
local terms energy: -142.945878
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -24.299
flat angles C4'-P-C4' energy: -30.986
flat angles P-C4'-P energy: -23.656
tors. eta vs tors. theta energy: -46.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -516.052511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.052511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.052511 (E_RNA)
where:
Base-Base interactions energy: -355.988
where: short stacking energy: -156.056
Base-Backbone interact. energy: -0.132
local terms energy: -159.932435
where:
bonds (distance) C4'-P energy: -27.436
bonds (distance) P-C4' energy: -32.806
flat angles C4'-P-C4' energy: -33.130
flat angles P-C4'-P energy: -23.479
tors. eta vs tors. theta energy: -43.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -440.127531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.127531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.127531 (E_RNA)
where:
Base-Base interactions energy: -301.985
where: short stacking energy: -129.823
Base-Backbone interact. energy: -0.451
local terms energy: -137.691873
where:
bonds (distance) C4'-P energy: -23.222
bonds (distance) P-C4' energy: -31.852
flat angles C4'-P-C4' energy: -25.054
flat angles P-C4'-P energy: -17.461
tors. eta vs tors. theta energy: -40.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -446.149968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.149968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.149968 (E_RNA)
where:
Base-Base interactions energy: -302.909
where: short stacking energy: -139.517
Base-Backbone interact. energy: -0.033
local terms energy: -143.207902
where:
bonds (distance) C4'-P energy: -22.120
bonds (distance) P-C4' energy: -31.486
flat angles C4'-P-C4' energy: -30.186
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: -43.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -399.189037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.189037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.189037 (E_RNA)
where:
Base-Base interactions energy: -283.905
where: short stacking energy: -121.191
Base-Backbone interact. energy: -0.066
local terms energy: -115.218141
where:
bonds (distance) C4'-P energy: -21.174
bonds (distance) P-C4' energy: -19.534
flat angles C4'-P-C4' energy: -29.864
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -33.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -329.146806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.146806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.146806 (E_RNA)
where:
Base-Base interactions energy: -213.252
where: short stacking energy: -92.093
Base-Backbone interact. energy: -0.449
local terms energy: -115.445268
where:
bonds (distance) C4'-P energy: -26.508
bonds (distance) P-C4' energy: -24.693
flat angles C4'-P-C4' energy: -25.079
flat angles P-C4'-P energy: -20.750
tors. eta vs tors. theta energy: -18.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -331.903955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.903955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.903955 (E_RNA)
where:
Base-Base interactions energy: -230.139
where: short stacking energy: -100.820
Base-Backbone interact. energy: -0.552
local terms energy: -101.212781
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -22.231
flat angles C4'-P-C4' energy: -26.573
flat angles P-C4'-P energy: -16.139
tors. eta vs tors. theta energy: -15.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -148.445925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.445925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.445925 (E_RNA)
where:
Base-Base interactions energy: -51.885
where: short stacking energy: -51.242
Base-Backbone interact. energy: -0.356
local terms energy: -96.204825
where:
bonds (distance) C4'-P energy: -25.942
bonds (distance) P-C4' energy: -29.320
flat angles C4'-P-C4' energy: -19.453
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: -2.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -535.015733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.015733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.015733 (E_RNA)
where:
Base-Base interactions energy: -378.302
where: short stacking energy: -159.771
Base-Backbone interact. energy: -0.043
local terms energy: -156.670627
where:
bonds (distance) C4'-P energy: -28.968
bonds (distance) P-C4' energy: -23.423
flat angles C4'-P-C4' energy: -30.381
flat angles P-C4'-P energy: -24.755
tors. eta vs tors. theta energy: -49.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -525.083759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.083759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.083759 (E_RNA)
where:
Base-Base interactions energy: -367.613
where: short stacking energy: -157.383
Base-Backbone interact. energy: -0.107
local terms energy: -157.363769
where:
bonds (distance) C4'-P energy: -31.054
bonds (distance) P-C4' energy: -26.224
flat angles C4'-P-C4' energy: -31.143
flat angles P-C4'-P energy: -25.268
tors. eta vs tors. theta energy: -43.675
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: 2
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -524.848703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.848703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.848703 (E_RNA)
where:
Base-Base interactions energy: -373.432
where: short stacking energy: -149.900
Base-Backbone interact. energy: -0.014
local terms energy: -151.403131
where:
bonds (distance) C4'-P energy: -29.847
bonds (distance) P-C4' energy: -26.471
flat angles C4'-P-C4' energy: -30.933
flat angles P-C4'-P energy: -20.471
tors. eta vs tors. theta energy: -43.681
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: 5
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -503.659396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.659396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.659396 (E_RNA)
where:
Base-Base interactions energy: -359.999
where: short stacking energy: -146.910
Base-Backbone interact. energy: -0.385
local terms energy: -143.274939
where:
bonds (distance) C4'-P energy: -25.365
bonds (distance) P-C4' energy: -22.424
flat angles C4'-P-C4' energy: -28.759
flat angles P-C4'-P energy: -18.801
tors. eta vs tors. theta energy: -47.926
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: 5, replica: 6
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -459.137518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.137518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.137518 (E_RNA)
where:
Base-Base interactions energy: -312.414
where: short stacking energy: -145.096
Base-Backbone interact. energy: -0.575
local terms energy: -146.148930
where:
bonds (distance) C4'-P energy: -32.793
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -29.453
flat angles P-C4'-P energy: -17.218
tors. eta vs tors. theta energy: -45.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -435.384454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.384454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.384454 (E_RNA)
where:
Base-Base interactions energy: -297.107
where: short stacking energy: -130.589
Base-Backbone interact. energy: -0.437
local terms energy: -137.840514
where:
bonds (distance) C4'-P energy: -29.120
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -32.590
flat angles P-C4'-P energy: -24.970
tors. eta vs tors. theta energy: -34.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -378.317476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.317476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.317476 (E_RNA)
where:
Base-Base interactions energy: -246.141
where: short stacking energy: -112.030
Base-Backbone interact. energy: -1.947
local terms energy: -130.229538
where:
bonds (distance) C4'-P energy: -29.667
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -26.941
flat angles P-C4'-P energy: -21.119
tors. eta vs tors. theta energy: -32.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -324.768040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.768040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.768040 (E_RNA)
where:
Base-Base interactions energy: -221.490
where: short stacking energy: -96.463
Base-Backbone interact. energy: -0.236
local terms energy: -103.042036
where:
bonds (distance) C4'-P energy: -23.469
bonds (distance) P-C4' energy: -27.237
flat angles C4'-P-C4' energy: -19.472
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -19.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -328.847797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.847797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.847797 (E_RNA)
where:
Base-Base interactions energy: -225.295
where: short stacking energy: -108.551
Base-Backbone interact. energy: -0.551
local terms energy: -103.002140
where:
bonds (distance) C4'-P energy: -21.346
bonds (distance) P-C4' energy: -18.222
flat angles C4'-P-C4' energy: -27.797
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -26.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -190.188309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.188309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.188309 (E_RNA)
where:
Base-Base interactions energy: -105.126
where: short stacking energy: -56.934
Base-Backbone interact. energy: -0.574
local terms energy: -84.488087
where:
bonds (distance) C4'-P energy: -26.765
bonds (distance) P-C4' energy: -20.486
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -9.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -534.876163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.876163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.876163 (E_RNA)
where:
Base-Base interactions energy: -373.707
where: short stacking energy: -146.612
Base-Backbone interact. energy: -0.225
local terms energy: -160.944428
where:
bonds (distance) C4'-P energy: -28.909
bonds (distance) P-C4' energy: -29.412
flat angles C4'-P-C4' energy: -31.806
flat angles P-C4'-P energy: -23.927
tors. eta vs tors. theta energy: -46.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -529.073380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.073380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.073380 (E_RNA)
where:
Base-Base interactions energy: -367.389
where: short stacking energy: -153.405
Base-Backbone interact. energy: -0.475
local terms energy: -161.209103
where:
bonds (distance) C4'-P energy: -24.258
bonds (distance) P-C4' energy: -36.884
flat angles C4'-P-C4' energy: -33.757
flat angles P-C4'-P energy: -22.227
tors. eta vs tors. theta energy: -44.083
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: 8
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -512.332125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.332125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.332125 (E_RNA)
where:
Base-Base interactions energy: -365.299
where: short stacking energy: -148.961
Base-Backbone interact. energy: -0.122
local terms energy: -146.910949
where:
bonds (distance) C4'-P energy: -25.489
bonds (distance) P-C4' energy: -30.408
flat angles C4'-P-C4' energy: -29.568
flat angles P-C4'-P energy: -17.451
tors. eta vs tors. theta energy: -43.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -510.930055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.930055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.930055 (E_RNA)
where:
Base-Base interactions energy: -357.841
where: short stacking energy: -142.572
Base-Backbone interact. energy: -0.414
local terms energy: -152.674903
where:
bonds (distance) C4'-P energy: -25.043
bonds (distance) P-C4' energy: -31.354
flat angles C4'-P-C4' energy: -29.599
flat angles P-C4'-P energy: -19.491
tors. eta vs tors. theta energy: -47.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -467.973037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.973037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.973037 (E_RNA)
where:
Base-Base interactions energy: -321.331
where: short stacking energy: -151.104
Base-Backbone interact. energy: -0.365
local terms energy: -146.277589
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -28.922
flat angles C4'-P-C4' energy: -33.152
flat angles P-C4'-P energy: -20.184
tors. eta vs tors. theta energy: -47.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -434.062212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.062212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.062212 (E_RNA)
where:
Base-Base interactions energy: -294.625
where: short stacking energy: -131.594
Base-Backbone interact. energy: -0.327
local terms energy: -139.110555
where:
bonds (distance) C4'-P energy: -26.784
bonds (distance) P-C4' energy: -28.335
flat angles C4'-P-C4' energy: -25.213
flat angles P-C4'-P energy: -22.801
tors. eta vs tors. theta energy: -35.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -384.157533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.157533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.157533 (E_RNA)
where:
Base-Base interactions energy: -257.269
where: short stacking energy: -107.940
Base-Backbone interact. energy: 0.448
local terms energy: -127.336234
where:
bonds (distance) C4'-P energy: -24.095
bonds (distance) P-C4' energy: -26.100
flat angles C4'-P-C4' energy: -26.895
flat angles P-C4'-P energy: -18.591
tors. eta vs tors. theta energy: -31.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -318.395630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.395630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.395630 (E_RNA)
where:
Base-Base interactions energy: -211.460
where: short stacking energy: -97.954
Base-Backbone interact. energy: 0.802
local terms energy: -107.737097
where:
bonds (distance) C4'-P energy: -24.803
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -25.655
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -16.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -263.140930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.140930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.140930 (E_RNA)
where:
Base-Base interactions energy: -155.343
where: short stacking energy: -78.176
Base-Backbone interact. energy: -1.213
local terms energy: -106.584941
where:
bonds (distance) C4'-P energy: -25.646
bonds (distance) P-C4' energy: -28.472
flat angles C4'-P-C4' energy: -27.349
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -11.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -219.280443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.280443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.280443 (E_RNA)
where:
Base-Base interactions energy: -135.353
where: short stacking energy: -69.770
Base-Backbone interact. energy: -0.936
local terms energy: -82.992076
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -23.230
flat angles C4'-P-C4' energy: -21.918
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -16.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -532.317666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.317666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.317666 (E_RNA)
where:
Base-Base interactions energy: -377.623
where: short stacking energy: -153.909
Base-Backbone interact. energy: -0.004
local terms energy: -154.690797
where:
bonds (distance) C4'-P energy: -34.709
bonds (distance) P-C4' energy: -27.416
flat angles C4'-P-C4' energy: -26.113
flat angles P-C4'-P energy: -21.276
tors. eta vs tors. theta energy: -45.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -541.240665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.240665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.240665 (E_RNA)
where:
Base-Base interactions energy: -383.322
where: short stacking energy: -154.215
Base-Backbone interact. energy: -0.334
local terms energy: -157.585368
where:
bonds (distance) C4'-P energy: -27.980
bonds (distance) P-C4' energy: -29.031
flat angles C4'-P-C4' energy: -33.746
flat angles P-C4'-P energy: -19.565
tors. eta vs tors. theta energy: -47.264
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: 5
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -506.389844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.389844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.389844 (E_RNA)
where:
Base-Base interactions energy: -353.979
where: short stacking energy: -150.140
Base-Backbone interact. energy: -0.316
local terms energy: -152.094613
where:
bonds (distance) C4'-P energy: -28.504
bonds (distance) P-C4' energy: -26.648
flat angles C4'-P-C4' energy: -33.439
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -47.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -501.715941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.715941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.715941 (E_RNA)
where:
Base-Base interactions energy: -355.582
where: short stacking energy: -151.141
Base-Backbone interact. energy: -0.252
local terms energy: -145.881962
where:
bonds (distance) C4'-P energy: -27.859
bonds (distance) P-C4' energy: -24.603
flat angles C4'-P-C4' energy: -28.144
flat angles P-C4'-P energy: -20.438
tors. eta vs tors. theta energy: -44.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -462.273600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.273600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.273600 (E_RNA)
where:
Base-Base interactions energy: -321.284
where: short stacking energy: -148.277
Base-Backbone interact. energy: -0.090
local terms energy: -140.899959
where:
bonds (distance) C4'-P energy: -19.313
bonds (distance) P-C4' energy: -32.008
flat angles C4'-P-C4' energy: -29.711
flat angles P-C4'-P energy: -18.053
tors. eta vs tors. theta energy: -41.815
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: 386
Temperature: 1.150000
Total energy: -413.354583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.354583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.354583 (E_RNA)
where:
Base-Base interactions energy: -289.467
where: short stacking energy: -122.596
Base-Backbone interact. energy: 0.563
local terms energy: -124.450618
where:
bonds (distance) C4'-P energy: -20.399
bonds (distance) P-C4' energy: -26.439
flat angles C4'-P-C4' energy: -29.324
flat angles P-C4'-P energy: -17.688
tors. eta vs tors. theta energy: -30.601
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: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -392.718687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.718687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.718687 (E_RNA)
where:
Base-Base interactions energy: -272.481
where: short stacking energy: -113.421
Base-Backbone interact. energy: -0.273
local terms energy: -119.964984
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -24.832
flat angles C4'-P-C4' energy: -27.296
flat angles P-C4'-P energy: -22.409
tors. eta vs tors. theta energy: -30.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -318.415822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.415822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.415822 (E_RNA)
where:
Base-Base interactions energy: -210.734
where: short stacking energy: -101.330
Base-Backbone interact. energy: -0.515
local terms energy: -107.166805
where:
bonds (distance) C4'-P energy: -20.128
bonds (distance) P-C4' energy: -26.444
flat angles C4'-P-C4' energy: -25.161
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -26.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -304.579918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.579918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.579918 (E_RNA)
where:
Base-Base interactions energy: -205.821
where: short stacking energy: -86.497
Base-Backbone interact. energy: -1.010
local terms energy: -97.748352
where:
bonds (distance) C4'-P energy: -22.902
bonds (distance) P-C4' energy: -30.830
flat angles C4'-P-C4' energy: -21.927
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: -15.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -192.379459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.379459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.379459 (E_RNA)
where:
Base-Base interactions energy: -110.920
where: short stacking energy: -55.805
Base-Backbone interact. energy: -0.607
local terms energy: -80.852371
where:
bonds (distance) C4'-P energy: -24.017
bonds (distance) P-C4' energy: -25.297
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -1.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -538.295188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.295188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.295188 (E_RNA)
where:
Base-Base interactions energy: -386.936
where: short stacking energy: -161.308
Base-Backbone interact. energy: -0.022
local terms energy: -151.337705
where:
bonds (distance) C4'-P energy: -29.394
bonds (distance) P-C4' energy: -22.808
flat angles C4'-P-C4' energy: -32.112
flat angles P-C4'-P energy: -25.379
tors. eta vs tors. theta energy: -41.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -531.824142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.824142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.824142 (E_RNA)
where:
Base-Base interactions energy: -369.899
where: short stacking energy: -148.341
Base-Backbone interact. energy: -0.161
local terms energy: -161.764667
where:
bonds (distance) C4'-P energy: -27.621
bonds (distance) P-C4' energy: -32.711
flat angles C4'-P-C4' energy: -29.781
flat angles P-C4'-P energy: -27.313
tors. eta vs tors. theta energy: -44.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -509.920527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.920527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.920527 (E_RNA)
where:
Base-Base interactions energy: -360.254
where: short stacking energy: -149.347
Base-Backbone interact. energy: -0.340
local terms energy: -149.327196
where:
bonds (distance) C4'-P energy: -22.665
bonds (distance) P-C4' energy: -28.987
flat angles C4'-P-C4' energy: -31.338
flat angles P-C4'-P energy: -21.203
tors. eta vs tors. theta energy: -45.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -490.371364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.371364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.371364 (E_RNA)
where:
Base-Base interactions energy: -349.912
where: short stacking energy: -150.711
Base-Backbone interact. energy: -0.026
local terms energy: -140.433362
where:
bonds (distance) C4'-P energy: -22.573
bonds (distance) P-C4' energy: -21.519
flat angles C4'-P-C4' energy: -30.767
flat angles P-C4'-P energy: -21.175
tors. eta vs tors. theta energy: -44.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -453.131071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.131071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.131071 (E_RNA)
where:
Base-Base interactions energy: -305.608
where: short stacking energy: -140.618
Base-Backbone interact. energy: -1.084
local terms energy: -146.439645
where:
bonds (distance) C4'-P energy: -23.664
bonds (distance) P-C4' energy: -26.031
flat angles C4'-P-C4' energy: -32.171
flat angles P-C4'-P energy: -23.582
tors. eta vs tors. theta energy: -40.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -423.972410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.972410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.972410 (E_RNA)
where:
Base-Base interactions energy: -289.352
where: short stacking energy: -136.082
Base-Backbone interact. energy: -0.157
local terms energy: -134.463784
where:
bonds (distance) C4'-P energy: -24.170
bonds (distance) P-C4' energy: -30.088
flat angles C4'-P-C4' energy: -29.615
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -38.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -414.352991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.352991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.352991 (E_RNA)
where:
Base-Base interactions energy: -288.052
where: short stacking energy: -136.308
Base-Backbone interact. energy: -0.803
local terms energy: -125.497187
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -28.938
flat angles C4'-P-C4' energy: -26.311
flat angles P-C4'-P energy: -20.336
tors. eta vs tors. theta energy: -35.649
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: 4
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -330.300036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.300036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.300036 (E_RNA)
where:
Base-Base interactions energy: -221.243
where: short stacking energy: -103.925
Base-Backbone interact. energy: -0.538
local terms energy: -108.518851
where:
bonds (distance) C4'-P energy: -25.576
bonds (distance) P-C4' energy: -21.417
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -17.768
tors. eta vs tors. theta energy: -25.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -331.151184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.151184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.151184 (E_RNA)
where:
Base-Base interactions energy: -233.188
where: short stacking energy: -95.830
Base-Backbone interact. energy: -0.771
local terms energy: -97.192919
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -24.752
flat angles P-C4'-P energy: -15.585
tors. eta vs tors. theta energy: -18.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -201.914974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.914974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.914974 (E_RNA)
where:
Base-Base interactions energy: -107.300
where: short stacking energy: -53.262
Base-Backbone interact. energy: -0.723
local terms energy: -93.892316
where:
bonds (distance) C4'-P energy: -28.671
bonds (distance) P-C4' energy: -24.096
flat angles C4'-P-C4' energy: -26.932
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -535.450054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.450054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.450054 (E_RNA)
where:
Base-Base interactions energy: -381.913
where: short stacking energy: -154.980
Base-Backbone interact. energy: -0.004
local terms energy: -153.533302
where:
bonds (distance) C4'-P energy: -26.971
bonds (distance) P-C4' energy: -28.306
flat angles C4'-P-C4' energy: -33.686
flat angles P-C4'-P energy: -18.144
tors. eta vs tors. theta energy: -46.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -531.672717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.672717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.672717 (E_RNA)
where:
Base-Base interactions energy: -375.464
where: short stacking energy: -146.824
Base-Backbone interact. energy: 0.611
local terms energy: -156.820270
where:
bonds (distance) C4'-P energy: -32.379
bonds (distance) P-C4' energy: -26.516
flat angles C4'-P-C4' energy: -30.436
flat angles P-C4'-P energy: -25.153
tors. eta vs tors. theta energy: -42.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -516.081926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.081926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.081926 (E_RNA)
where:
Base-Base interactions energy: -349.836
where: short stacking energy: -146.344
Base-Backbone interact. energy: -0.680
local terms energy: -165.565692
where:
bonds (distance) C4'-P energy: -29.311
bonds (distance) P-C4' energy: -30.623
flat angles C4'-P-C4' energy: -35.551
flat angles P-C4'-P energy: -22.019
tors. eta vs tors. theta energy: -48.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -489.427401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.427401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.427401 (E_RNA)
where:
Base-Base interactions energy: -358.505
where: short stacking energy: -153.901
Base-Backbone interact. energy: -0.124
local terms energy: -130.799053
where:
bonds (distance) C4'-P energy: -28.487
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -29.360
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -45.212
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: 388
Temperature: 1.100000
Total energy: -465.742883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.742883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.742883 (E_RNA)
where:
Base-Base interactions energy: -315.686
where: short stacking energy: -143.927
Base-Backbone interact. energy: -0.372
local terms energy: -149.684777
where:
bonds (distance) C4'-P energy: -31.565
bonds (distance) P-C4' energy: -25.112
flat angles C4'-P-C4' energy: -30.349
flat angles P-C4'-P energy: -21.839
tors. eta vs tors. theta energy: -40.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -434.035228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.035228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.035228 (E_RNA)
where:
Base-Base interactions energy: -313.734
where: short stacking energy: -126.361
Base-Backbone interact. energy: -1.746
local terms energy: -118.555329
where:
bonds (distance) C4'-P energy: -25.355
bonds (distance) P-C4' energy: -29.290
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -28.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -405.258920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.258920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.258920 (E_RNA)
where:
Base-Base interactions energy: -274.575
where: short stacking energy: -119.153
Base-Backbone interact. energy: -0.436
local terms energy: -130.247894
where:
bonds (distance) C4'-P energy: -26.429
bonds (distance) P-C4' energy: -24.193
flat angles C4'-P-C4' energy: -31.049
flat angles P-C4'-P energy: -20.823
tors. eta vs tors. theta energy: -27.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -334.668002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.668002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.668002 (E_RNA)
where:
Base-Base interactions energy: -222.745
where: short stacking energy: -98.438
Base-Backbone interact. energy: -0.770
local terms energy: -111.153549
where:
bonds (distance) C4'-P energy: -23.287
bonds (distance) P-C4' energy: -26.262
flat angles C4'-P-C4' energy: -26.833
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -23.565
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: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -319.839737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.839737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.839737 (E_RNA)
where:
Base-Base interactions energy: -211.010
where: short stacking energy: -105.511
Base-Backbone interact. energy: -0.404
local terms energy: -108.425202
where:
bonds (distance) C4'-P energy: -24.239
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -28.673
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -21.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -206.684217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.684217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.684217 (E_RNA)
where:
Base-Base interactions energy: -121.186
where: short stacking energy: -67.819
Base-Backbone interact. energy: 0.650
local terms energy: -86.147366
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -23.041
flat angles C4'-P-C4' energy: -21.259
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -10.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -541.340873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.340873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.340873 (E_RNA)
where:
Base-Base interactions energy: -389.137
where: short stacking energy: -158.712
Base-Backbone interact. energy: 0.099
local terms energy: -152.302282
where:
bonds (distance) C4'-P energy: -25.312
bonds (distance) P-C4' energy: -25.934
flat angles C4'-P-C4' energy: -31.957
flat angles P-C4'-P energy: -24.784
tors. eta vs tors. theta energy: -44.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -523.793908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.793908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.793908 (E_RNA)
where:
Base-Base interactions energy: -355.792
where: short stacking energy: -155.731
Base-Backbone interact. energy: -0.571
local terms energy: -167.431698
where:
bonds (distance) C4'-P energy: -33.040
bonds (distance) P-C4' energy: -26.873
flat angles C4'-P-C4' energy: -31.719
flat angles P-C4'-P energy: -27.311
tors. eta vs tors. theta energy: -48.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -522.105807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.105807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.105807 (E_RNA)
where:
Base-Base interactions energy: -368.612
where: short stacking energy: -151.522
Base-Backbone interact. energy: -0.434
local terms energy: -153.058896
where:
bonds (distance) C4'-P energy: -24.464
bonds (distance) P-C4' energy: -24.797
flat angles C4'-P-C4' energy: -29.659
flat angles P-C4'-P energy: -25.546
tors. eta vs tors. theta energy: -48.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -485.840595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.840595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.840595 (E_RNA)
where:
Base-Base interactions energy: -341.660
where: short stacking energy: -141.913
Base-Backbone interact. energy: -0.248
local terms energy: -143.933325
where:
bonds (distance) C4'-P energy: -21.318
bonds (distance) P-C4' energy: -32.297
flat angles C4'-P-C4' energy: -33.181
flat angles P-C4'-P energy: -18.634
tors. eta vs tors. theta energy: -38.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -458.761480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.761480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.761480 (E_RNA)
where:
Base-Base interactions energy: -302.383
where: short stacking energy: -136.462
Base-Backbone interact. energy: -0.721
local terms energy: -155.657539
where:
bonds (distance) C4'-P energy: -24.277
bonds (distance) P-C4' energy: -27.485
flat angles C4'-P-C4' energy: -34.055
flat angles P-C4'-P energy: -25.387
tors. eta vs tors. theta energy: -44.453
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: 9
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -477.934284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.934284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.934284 (E_RNA)
where:
Base-Base interactions energy: -337.908
where: short stacking energy: -145.188
Base-Backbone interact. energy: -0.258
local terms energy: -139.768189
where:
bonds (distance) C4'-P energy: -29.909
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -24.456
flat angles P-C4'-P energy: -18.972
tors. eta vs tors. theta energy: -45.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -436.682188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.682188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.682188 (E_RNA)
where:
Base-Base interactions energy: -314.136
where: short stacking energy: -131.574
Base-Backbone interact. energy: -0.844
local terms energy: -121.702628
where:
bonds (distance) C4'-P energy: -21.399
bonds (distance) P-C4' energy: -27.776
flat angles C4'-P-C4' energy: -23.669
flat angles P-C4'-P energy: -14.819
tors. eta vs tors. theta energy: -34.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -320.987688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.987688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.987688 (E_RNA)
where:
Base-Base interactions energy: -214.976
where: short stacking energy: -91.528
Base-Backbone interact. energy: -0.312
local terms energy: -105.700372
where:
bonds (distance) C4'-P energy: -28.127
bonds (distance) P-C4' energy: -10.277
flat angles C4'-P-C4' energy: -23.981
flat angles P-C4'-P energy: -19.847
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: 9, replica: 4
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -326.729462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.729462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.729462 (E_RNA)
where:
Base-Base interactions energy: -222.861
where: short stacking energy: -94.495
Base-Backbone interact. energy: -0.369
local terms energy: -103.499193
where:
bonds (distance) C4'-P energy: -17.564
bonds (distance) P-C4' energy: -27.657
flat angles C4'-P-C4' energy: -24.887
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -19.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -212.065915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.065915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.065915 (E_RNA)
where:
Base-Base interactions energy: -115.132
where: short stacking energy: -66.676
Base-Backbone interact. energy: -0.542
local terms energy: -96.391800
where:
bonds (distance) C4'-P energy: -18.258
bonds (distance) P-C4' energy: -27.026
flat angles C4'-P-C4' energy: -30.619
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -8.506
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: 10
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -540.633039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.633039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.633039 (E_RNA)
where:
Base-Base interactions energy: -380.555
where: short stacking energy: -151.830
Base-Backbone interact. energy: -0.580
local terms energy: -159.498299
where:
bonds (distance) C4'-P energy: -25.481
bonds (distance) P-C4' energy: -31.921
flat angles C4'-P-C4' energy: -33.205
flat angles P-C4'-P energy: -23.449
tors. eta vs tors. theta energy: -45.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -521.194382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.194382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.194382 (E_RNA)
where:
Base-Base interactions energy: -364.333
where: short stacking energy: -158.520
Base-Backbone interact. energy: -0.125
local terms energy: -156.736143
where:
bonds (distance) C4'-P energy: -27.150
bonds (distance) P-C4' energy: -27.088
flat angles C4'-P-C4' energy: -33.258
flat angles P-C4'-P energy: -20.808
tors. eta vs tors. theta energy: -48.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -509.132628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.132628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.132628 (E_RNA)
where:
Base-Base interactions energy: -357.089
where: short stacking energy: -149.533
Base-Backbone interact. energy: -0.290
local terms energy: -151.753381
where:
bonds (distance) C4'-P energy: -25.278
bonds (distance) P-C4' energy: -29.291
flat angles C4'-P-C4' energy: -34.285
flat angles P-C4'-P energy: -17.671
tors. eta vs tors. theta energy: -45.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -516.150881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.150881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.150881 (E_RNA)
where:
Base-Base interactions energy: -363.369
where: short stacking energy: -157.999
Base-Backbone interact. energy: -0.323
local terms energy: -152.458598
where:
bonds (distance) C4'-P energy: -26.808
bonds (distance) P-C4' energy: -24.253
flat angles C4'-P-C4' energy: -30.183
flat angles P-C4'-P energy: -23.424
tors. eta vs tors. theta energy: -47.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -464.611491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.611491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.611491 (E_RNA)
where:
Base-Base interactions energy: -324.854
where: short stacking energy: -132.360
Base-Backbone interact. energy: -0.004
local terms energy: -139.753736
where:
bonds (distance) C4'-P energy: -22.171
bonds (distance) P-C4' energy: -28.806
flat angles C4'-P-C4' energy: -29.824
flat angles P-C4'-P energy: -22.231
tors. eta vs tors. theta energy: -36.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -436.200628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.200628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.200628 (E_RNA)
where:
Base-Base interactions energy: -316.262
where: short stacking energy: -128.834
Base-Backbone interact. energy: -0.167
local terms energy: -119.772355
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -24.662
flat angles C4'-P-C4' energy: -23.833
flat angles P-C4'-P energy: -16.559
tors. eta vs tors. theta energy: -35.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -440.250665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.250665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.250665 (E_RNA)
where:
Base-Base interactions energy: -299.197
where: short stacking energy: -128.497
Base-Backbone interact. energy: 0.373
local terms energy: -141.426850
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -27.279
flat angles C4'-P-C4' energy: -32.076
flat angles P-C4'-P energy: -21.390
tors. eta vs tors. theta energy: -41.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -302.950117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.950117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.950117 (E_RNA)
where:
Base-Base interactions energy: -187.343
where: short stacking energy: -85.450
Base-Backbone interact. energy: -0.514
local terms energy: -115.093309
where:
bonds (distance) C4'-P energy: -25.270
bonds (distance) P-C4' energy: -30.574
flat angles C4'-P-C4' energy: -23.092
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -19.292
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: 4
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -339.289750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.289750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.289750 (E_RNA)
where:
Base-Base interactions energy: -222.585
where: short stacking energy: -95.599
Base-Backbone interact. energy: -0.388
local terms energy: -116.317362
where:
bonds (distance) C4'-P energy: -25.311
bonds (distance) P-C4' energy: -31.208
flat angles C4'-P-C4' energy: -24.798
flat angles P-C4'-P energy: -16.760
tors. eta vs tors. theta energy: -18.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -213.116580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.116580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.116580 (E_RNA)
where:
Base-Base interactions energy: -114.408
where: short stacking energy: -63.140
Base-Backbone interact. energy: -0.239
local terms energy: -98.469670
where:
bonds (distance) C4'-P energy: -20.670
bonds (distance) P-C4' energy: -31.111
flat angles C4'-P-C4' energy: -22.079
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -13.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -545.228437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.228437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.228437 (E_RNA)
where:
Base-Base interactions energy: -385.023
where: short stacking energy: -157.201
Base-Backbone interact. energy: -0.334
local terms energy: -159.871701
where:
bonds (distance) C4'-P energy: -29.012
bonds (distance) P-C4' energy: -27.677
flat angles C4'-P-C4' energy: -33.683
flat angles P-C4'-P energy: -22.577
tors. eta vs tors. theta energy: -46.922
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: 8
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -525.234167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.234167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.234167 (E_RNA)
where:
Base-Base interactions energy: -372.137
where: short stacking energy: -163.443
Base-Backbone interact. energy: -0.073
local terms energy: -153.023566
where:
bonds (distance) C4'-P energy: -24.865
bonds (distance) P-C4' energy: -28.616
flat angles C4'-P-C4' energy: -30.886
flat angles P-C4'-P energy: -23.051
tors. eta vs tors. theta energy: -45.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -515.637113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.637113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.637113 (E_RNA)
where:
Base-Base interactions energy: -359.310
where: short stacking energy: -139.065
Base-Backbone interact. energy: -1.394
local terms energy: -154.933219
where:
bonds (distance) C4'-P energy: -31.170
bonds (distance) P-C4' energy: -30.304
flat angles C4'-P-C4' energy: -32.242
flat angles P-C4'-P energy: -18.370
tors. eta vs tors. theta energy: -42.848
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: 4, replica: 2
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -517.932880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.932880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.932880 (E_RNA)
where:
Base-Base interactions energy: -370.216
where: short stacking energy: -157.273
Base-Backbone interact. energy: -0.014
local terms energy: -147.702755
where:
bonds (distance) C4'-P energy: -22.599
bonds (distance) P-C4' energy: -26.619
flat angles C4'-P-C4' energy: -28.442
flat angles P-C4'-P energy: -22.405
tors. eta vs tors. theta energy: -47.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -484.134028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.134028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.134028 (E_RNA)
where:
Base-Base interactions energy: -338.793
where: short stacking energy: -132.966
Base-Backbone interact. energy: -0.180
local terms energy: -145.160648
where:
bonds (distance) C4'-P energy: -21.963
bonds (distance) P-C4' energy: -31.141
flat angles C4'-P-C4' energy: -30.673
flat angles P-C4'-P energy: -17.366
tors. eta vs tors. theta energy: -44.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -435.753698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.753698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.753698 (E_RNA)
where:
Base-Base interactions energy: -293.916
where: short stacking energy: -135.766
Base-Backbone interact. energy: -0.578
local terms energy: -141.260347
where:
bonds (distance) C4'-P energy: -30.287
bonds (distance) P-C4' energy: -22.883
flat angles C4'-P-C4' energy: -31.231
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -40.187
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: 391
Temperature: 1.200000
Total energy: -434.963921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.963921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.963921 (E_RNA)
where:
Base-Base interactions energy: -300.866
where: short stacking energy: -135.344
Base-Backbone interact. energy: -0.397
local terms energy: -133.701078
where:
bonds (distance) C4'-P energy: -23.825
bonds (distance) P-C4' energy: -22.062
flat angles C4'-P-C4' energy: -30.784
flat angles P-C4'-P energy: -21.350
tors. eta vs tors. theta energy: -35.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -313.955891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.955891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.955891 (E_RNA)
where:
Base-Base interactions energy: -206.044
where: short stacking energy: -97.248
Base-Backbone interact. energy: -0.711
local terms energy: -107.201372
where:
bonds (distance) C4'-P energy: -26.884
bonds (distance) P-C4' energy: -27.165
flat angles C4'-P-C4' energy: -24.081
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -20.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -291.177446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.177446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.177446 (E_RNA)
where:
Base-Base interactions energy: -189.606
where: short stacking energy: -69.142
Base-Backbone interact. energy: -0.203
local terms energy: -101.369097
where:
bonds (distance) C4'-P energy: -21.828
bonds (distance) P-C4' energy: -27.239
flat angles C4'-P-C4' energy: -22.996
flat angles P-C4'-P energy: -17.591
tors. eta vs tors. theta energy: -11.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -200.997831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.997831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.997831 (E_RNA)
where:
Base-Base interactions energy: -106.324
where: short stacking energy: -64.151
Base-Backbone interact. energy: 1.052
local terms energy: -95.725515
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -25.349
flat angles P-C4'-P energy: -18.697
tors. eta vs tors. theta energy: -4.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -539.710901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.710901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.710901 (E_RNA)
where:
Base-Base interactions energy: -381.130
where: short stacking energy: -155.285
Base-Backbone interact. energy: 0.042
local terms energy: -158.622393
where:
bonds (distance) C4'-P energy: -28.587
bonds (distance) P-C4' energy: -28.582
flat angles C4'-P-C4' energy: -34.279
flat angles P-C4'-P energy: -21.761
tors. eta vs tors. theta energy: -45.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -533.440416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.440416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.440416 (E_RNA)
where:
Base-Base interactions energy: -384.066
where: short stacking energy: -159.956
Base-Backbone interact. energy: -0.007
local terms energy: -149.367283
where:
bonds (distance) C4'-P energy: -33.381
bonds (distance) P-C4' energy: -22.209
flat angles C4'-P-C4' energy: -28.941
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -47.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -513.050426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.050426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.050426 (E_RNA)
where:
Base-Base interactions energy: -355.781
where: short stacking energy: -138.351
Base-Backbone interact. energy: -0.624
local terms energy: -156.645115
where:
bonds (distance) C4'-P energy: -32.946
bonds (distance) P-C4' energy: -30.047
flat angles C4'-P-C4' energy: -33.685
flat angles P-C4'-P energy: -16.162
tors. eta vs tors. theta energy: -43.805
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: 392
Temperature: 1.050000
Total energy: -519.857840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.857840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.857840 (E_RNA)
where:
Base-Base interactions energy: -366.479
where: short stacking energy: -159.992
Base-Backbone interact. energy: -0.763
local terms energy: -152.616529
where:
bonds (distance) C4'-P energy: -30.200
bonds (distance) P-C4' energy: -22.639
flat angles C4'-P-C4' energy: -29.137
flat angles P-C4'-P energy: -22.421
tors. eta vs tors. theta energy: -48.219
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: 9
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -474.376498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.376498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.376498 (E_RNA)
where:
Base-Base interactions energy: -334.361
where: short stacking energy: -147.922
Base-Backbone interact. energy: -0.925
local terms energy: -139.090378
where:
bonds (distance) C4'-P energy: -24.292
bonds (distance) P-C4' energy: -26.717
flat angles C4'-P-C4' energy: -28.735
flat angles P-C4'-P energy: -16.540
tors. eta vs tors. theta energy: -42.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -442.002534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.002534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.002534 (E_RNA)
where:
Base-Base interactions energy: -306.750
where: short stacking energy: -137.937
Base-Backbone interact. energy: -1.329
local terms energy: -133.923793
where:
bonds (distance) C4'-P energy: -27.713
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -33.223
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -38.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -418.106241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.106241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.106241 (E_RNA)
where:
Base-Base interactions energy: -292.505
where: short stacking energy: -120.581
Base-Backbone interact. energy: 0.333
local terms energy: -125.934649
where:
bonds (distance) C4'-P energy: -22.002
bonds (distance) P-C4' energy: -24.608
flat angles C4'-P-C4' energy: -27.790
flat angles P-C4'-P energy: -17.006
tors. eta vs tors. theta energy: -34.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -314.168777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.168777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.168777 (E_RNA)
where:
Base-Base interactions energy: -226.674
where: short stacking energy: -86.931
Base-Backbone interact. energy: 2.709
local terms energy: -90.204577
where:
bonds (distance) C4'-P energy: -22.999
bonds (distance) P-C4' energy: -24.927
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -16.739
tors. eta vs tors. theta energy: -11.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -315.479336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.479336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.479336 (E_RNA)
where:
Base-Base interactions energy: -212.540
where: short stacking energy: -87.284
Base-Backbone interact. energy: -0.272
local terms energy: -102.667426
where:
bonds (distance) C4'-P energy: -27.602
bonds (distance) P-C4' energy: -29.012
flat angles C4'-P-C4' energy: -19.277
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -18.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -136.814851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.814851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.814851 (E_RNA)
where:
Base-Base interactions energy: -40.582
where: short stacking energy: -37.847
Base-Backbone interact. energy: -0.715
local terms energy: -95.517662
where:
bonds (distance) C4'-P energy: -23.008
bonds (distance) P-C4' energy: -24.158
flat angles C4'-P-C4' energy: -22.699
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -16.041
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: 8
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -533.521449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.521449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.521449 (E_RNA)
where:
Base-Base interactions energy: -379.996
where: short stacking energy: -155.759
Base-Backbone interact. energy: -0.024
local terms energy: -153.501403
where:
bonds (distance) C4'-P energy: -30.293
bonds (distance) P-C4' energy: -22.906
flat angles C4'-P-C4' energy: -33.933
flat angles P-C4'-P energy: -19.947
tors. eta vs tors. theta energy: -46.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -512.875278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.875278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.875278 (E_RNA)
where:
Base-Base interactions energy: -359.369
where: short stacking energy: -152.019
Base-Backbone interact. energy: -1.246
local terms energy: -152.260164
where:
bonds (distance) C4'-P energy: -23.022
bonds (distance) P-C4' energy: -25.669
flat angles C4'-P-C4' energy: -32.455
flat angles P-C4'-P energy: -22.624
tors. eta vs tors. theta energy: -48.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -523.613487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.613487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.613487 (E_RNA)
where:
Base-Base interactions energy: -376.323
where: short stacking energy: -155.194
Base-Backbone interact. energy: -0.011
local terms energy: -147.278592
where:
bonds (distance) C4'-P energy: -26.679
bonds (distance) P-C4' energy: -25.883
flat angles C4'-P-C4' energy: -29.289
flat angles P-C4'-P energy: -22.013
tors. eta vs tors. theta energy: -43.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -503.538458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.538458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.538458 (E_RNA)
where:
Base-Base interactions energy: -353.765
where: short stacking energy: -147.050
Base-Backbone interact. energy: 0.229
local terms energy: -150.002617
where:
bonds (distance) C4'-P energy: -27.047
bonds (distance) P-C4' energy: -27.406
flat angles C4'-P-C4' energy: -28.959
flat angles P-C4'-P energy: -23.947
tors. eta vs tors. theta energy: -42.644
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: 9
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -465.960153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.960153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.960153 (E_RNA)
where:
Base-Base interactions energy: -318.271
where: short stacking energy: -134.763
Base-Backbone interact. energy: -0.258
local terms energy: -147.431999
where:
bonds (distance) C4'-P energy: -31.699
bonds (distance) P-C4' energy: -31.329
flat angles C4'-P-C4' energy: -28.552
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -39.100
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: 6
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -428.954078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.954078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.954078 (E_RNA)
where:
Base-Base interactions energy: -292.157
where: short stacking energy: -139.311
Base-Backbone interact. energy: 1.049
local terms energy: -137.845635
where:
bonds (distance) C4'-P energy: -21.878
bonds (distance) P-C4' energy: -31.140
flat angles C4'-P-C4' energy: -30.455
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -40.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -421.435334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.435334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.435334 (E_RNA)
where:
Base-Base interactions energy: -290.812
where: short stacking energy: -128.233
Base-Backbone interact. energy: -0.615
local terms energy: -130.007693
where:
bonds (distance) C4'-P energy: -27.112
bonds (distance) P-C4' energy: -21.847
flat angles C4'-P-C4' energy: -29.329
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -38.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -330.553390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.553390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.553390 (E_RNA)
where:
Base-Base interactions energy: -215.840
where: short stacking energy: -96.042
Base-Backbone interact. energy: -0.224
local terms energy: -114.489313
where:
bonds (distance) C4'-P energy: -27.496
bonds (distance) P-C4' energy: -24.266
flat angles C4'-P-C4' energy: -26.183
flat angles P-C4'-P energy: -18.202
tors. eta vs tors. theta energy: -18.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -320.725255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.725255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.725255 (E_RNA)
where:
Base-Base interactions energy: -217.651
where: short stacking energy: -93.467
Base-Backbone interact. energy: -1.300
local terms energy: -101.774421
where:
bonds (distance) C4'-P energy: -22.658
bonds (distance) P-C4' energy: -18.874
flat angles C4'-P-C4' energy: -28.246
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -19.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -145.221502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.221502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.221502 (E_RNA)
where:
Base-Base interactions energy: -64.903
where: short stacking energy: -50.261
Base-Backbone interact. energy: -0.820
local terms energy: -79.498706
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -27.267
flat angles C4'-P-C4' energy: -21.743
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -539.184271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.184271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.184271 (E_RNA)
where:
Base-Base interactions energy: -383.431
where: short stacking energy: -157.647
Base-Backbone interact. energy: -0.124
local terms energy: -155.629996
where:
bonds (distance) C4'-P energy: -24.562
bonds (distance) P-C4' energy: -32.203
flat angles C4'-P-C4' energy: -30.825
flat angles P-C4'-P energy: -23.861
tors. eta vs tors. theta energy: -44.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -511.028976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.028976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.028976 (E_RNA)
where:
Base-Base interactions energy: -362.180
where: short stacking energy: -138.940
Base-Backbone interact. energy: -0.294
local terms energy: -148.554281
where:
bonds (distance) C4'-P energy: -31.189
bonds (distance) P-C4' energy: -27.919
flat angles C4'-P-C4' energy: -28.136
flat angles P-C4'-P energy: -19.558
tors. eta vs tors. theta energy: -41.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -509.170534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.170534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.170534 (E_RNA)
where:
Base-Base interactions energy: -357.254
where: short stacking energy: -143.886
Base-Backbone interact. energy: -0.469
local terms energy: -151.447494
where:
bonds (distance) C4'-P energy: -28.192
bonds (distance) P-C4' energy: -32.365
flat angles C4'-P-C4' energy: -33.085
flat angles P-C4'-P energy: -17.031
tors. eta vs tors. theta energy: -40.774
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: 394
Temperature: 1.050000
Total energy: -509.244990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.244990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.244990 (E_RNA)
where:
Base-Base interactions energy: -362.983
where: short stacking energy: -149.480
Base-Backbone interact. energy: -0.214
local terms energy: -146.047951
where:
bonds (distance) C4'-P energy: -27.336
bonds (distance) P-C4' energy: -30.256
flat angles C4'-P-C4' energy: -24.273
flat angles P-C4'-P energy: -21.772
tors. eta vs tors. theta energy: -42.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -454.033166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.033166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.033166 (E_RNA)
where:
Base-Base interactions energy: -316.647
where: short stacking energy: -136.608
Base-Backbone interact. energy: -0.886
local terms energy: -136.500541
where:
bonds (distance) C4'-P energy: -24.166
bonds (distance) P-C4' energy: -21.953
flat angles C4'-P-C4' energy: -34.749
flat angles P-C4'-P energy: -20.282
tors. eta vs tors. theta energy: -35.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -448.322401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.322401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.322401 (E_RNA)
where:
Base-Base interactions energy: -299.472
where: short stacking energy: -140.840
Base-Backbone interact. energy: -0.106
local terms energy: -148.744255
where:
bonds (distance) C4'-P energy: -30.864
bonds (distance) P-C4' energy: -31.231
flat angles C4'-P-C4' energy: -27.218
flat angles P-C4'-P energy: -15.919
tors. eta vs tors. theta energy: -43.512
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: 3
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -410.945955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.945955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.945955 (E_RNA)
where:
Base-Base interactions energy: -277.528
where: short stacking energy: -137.086
Base-Backbone interact. energy: -0.366
local terms energy: -133.051906
where:
bonds (distance) C4'-P energy: -24.202
bonds (distance) P-C4' energy: -27.300
flat angles C4'-P-C4' energy: -29.715
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: -36.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -344.706792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.706792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.706792 (E_RNA)
where:
Base-Base interactions energy: -236.679
where: short stacking energy: -101.508
Base-Backbone interact. energy: -0.091
local terms energy: -107.936683
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -24.915
flat angles C4'-P-C4' energy: -23.587
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -29.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -341.829073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.829073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.829073 (E_RNA)
where:
Base-Base interactions energy: -234.340
where: short stacking energy: -98.641
Base-Backbone interact. energy: -1.224
local terms energy: -106.264910
where:
bonds (distance) C4'-P energy: -21.809
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -24.494
flat angles P-C4'-P energy: -21.567
tors. eta vs tors. theta energy: -19.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -149.442570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.442570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.442570 (E_RNA)
where:
Base-Base interactions energy: -60.488
where: short stacking energy: -46.310
Base-Backbone interact. energy: -0.355
local terms energy: -88.599096
where:
bonds (distance) C4'-P energy: -26.723
bonds (distance) P-C4' energy: -24.049
flat angles C4'-P-C4' energy: -23.815
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -0.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -541.011952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.011952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.011952 (E_RNA)
where:
Base-Base interactions energy: -380.970
where: short stacking energy: -164.491
Base-Backbone interact. energy: -0.370
local terms energy: -159.671924
where:
bonds (distance) C4'-P energy: -27.553
bonds (distance) P-C4' energy: -31.520
flat angles C4'-P-C4' energy: -33.778
flat angles P-C4'-P energy: -18.359
tors. eta vs tors. theta energy: -48.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -526.392954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.392954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.392954 (E_RNA)
where:
Base-Base interactions energy: -368.825
where: short stacking energy: -154.762
Base-Backbone interact. energy: -0.104
local terms energy: -157.464324
where:
bonds (distance) C4'-P energy: -32.369
bonds (distance) P-C4' energy: -27.073
flat angles C4'-P-C4' energy: -30.351
flat angles P-C4'-P energy: -21.117
tors. eta vs tors. theta energy: -46.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -512.696400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.696400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.696400 (E_RNA)
where:
Base-Base interactions energy: -359.012
where: short stacking energy: -156.824
Base-Backbone interact. energy: -0.857
local terms energy: -152.826881
where:
bonds (distance) C4'-P energy: -25.924
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -32.436
flat angles P-C4'-P energy: -22.218
tors. eta vs tors. theta energy: -47.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -502.461253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.461253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.461253 (E_RNA)
where:
Base-Base interactions energy: -358.090
where: short stacking energy: -146.804
Base-Backbone interact. energy: -0.646
local terms energy: -143.725549
where:
bonds (distance) C4'-P energy: -22.211
bonds (distance) P-C4' energy: -27.377
flat angles C4'-P-C4' energy: -28.321
flat angles P-C4'-P energy: -18.092
tors. eta vs tors. theta energy: -47.724
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: 9
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -455.316053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.316053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.316053 (E_RNA)
where:
Base-Base interactions energy: -321.730
where: short stacking energy: -139.164
Base-Backbone interact. energy: -0.177
local terms energy: -133.409089
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -27.217
flat angles C4'-P-C4' energy: -29.902
flat angles P-C4'-P energy: -23.080
tors. eta vs tors. theta energy: -36.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -424.097587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.097587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.097587 (E_RNA)
where:
Base-Base interactions energy: -294.966
where: short stacking energy: -132.607
Base-Backbone interact. energy: -0.174
local terms energy: -128.958243
where:
bonds (distance) C4'-P energy: -23.035
bonds (distance) P-C4' energy: -23.129
flat angles C4'-P-C4' energy: -27.533
flat angles P-C4'-P energy: -19.451
tors. eta vs tors. theta energy: -35.809
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: 7, replica: 6
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -422.345180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.345180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.345180 (E_RNA)
where:
Base-Base interactions energy: -281.596
where: short stacking energy: -131.120
Base-Backbone interact. energy: 1.440
local terms energy: -142.189218
where:
bonds (distance) C4'-P energy: -24.789
bonds (distance) P-C4' energy: -31.242
flat angles C4'-P-C4' energy: -28.416
flat angles P-C4'-P energy: -20.154
tors. eta vs tors. theta energy: -37.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -325.779351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.779351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.779351 (E_RNA)
where:
Base-Base interactions energy: -222.671
where: short stacking energy: -90.401
Base-Backbone interact. energy: -0.533
local terms energy: -102.575565
where:
bonds (distance) C4'-P energy: -22.422
bonds (distance) P-C4' energy: -32.317
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -13.988
tors. eta vs tors. theta energy: -16.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -355.454709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.454709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.454709 (E_RNA)
where:
Base-Base interactions energy: -251.383
where: short stacking energy: -104.308
Base-Backbone interact. energy: -0.014
local terms energy: -104.058419
where:
bonds (distance) C4'-P energy: -19.023
bonds (distance) P-C4' energy: -21.638
flat angles C4'-P-C4' energy: -25.931
flat angles P-C4'-P energy: -6.305
tors. eta vs tors. theta energy: -31.162
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: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -132.070950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.070950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.070950 (E_RNA)
where:
Base-Base interactions energy: -50.427
where: short stacking energy: -43.191
Base-Backbone interact. energy: -0.976
local terms energy: -80.668178
where:
bonds (distance) C4'-P energy: -26.121
bonds (distance) P-C4' energy: -22.469
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -2.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -521.843345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.843345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.843345 (E_RNA)
where:
Base-Base interactions energy: -362.530
where: short stacking energy: -156.479
Base-Backbone interact. energy: -0.314
local terms energy: -158.999551
where:
bonds (distance) C4'-P energy: -31.066
bonds (distance) P-C4' energy: -24.331
flat angles C4'-P-C4' energy: -34.651
flat angles P-C4'-P energy: -22.033
tors. eta vs tors. theta energy: -46.918
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: 8
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -533.191962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.191962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.191962 (E_RNA)
where:
Base-Base interactions energy: -378.465
where: short stacking energy: -159.219
Base-Backbone interact. energy: -0.626
local terms energy: -154.101154
where:
bonds (distance) C4'-P energy: -23.620
bonds (distance) P-C4' energy: -30.527
flat angles C4'-P-C4' energy: -31.731
flat angles P-C4'-P energy: -21.476
tors. eta vs tors. theta energy: -46.748
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: 10
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -517.156337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.156337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.156337 (E_RNA)
where:
Base-Base interactions energy: -367.396
where: short stacking energy: -149.909
Base-Backbone interact. energy: -0.838
local terms energy: -148.921606
where:
bonds (distance) C4'-P energy: -22.752
bonds (distance) P-C4' energy: -24.618
flat angles C4'-P-C4' energy: -29.808
flat angles P-C4'-P energy: -23.171
tors. eta vs tors. theta energy: -48.573
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: 4, replica: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -508.583146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.583146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.583146 (E_RNA)
where:
Base-Base interactions energy: -365.960
where: short stacking energy: -158.786
Base-Backbone interact. energy: -0.178
local terms energy: -142.445112
where:
bonds (distance) C4'-P energy: -19.451
bonds (distance) P-C4' energy: -28.660
flat angles C4'-P-C4' energy: -33.175
flat angles P-C4'-P energy: -20.460
tors. eta vs tors. theta energy: -40.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -462.278647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.278647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.278647 (E_RNA)
where:
Base-Base interactions energy: -322.153
where: short stacking energy: -126.935
Base-Backbone interact. energy: -0.928
local terms energy: -139.197876
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -26.992
flat angles C4'-P-C4' energy: -27.590
flat angles P-C4'-P energy: -19.236
tors. eta vs tors. theta energy: -42.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -439.501679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.501679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.501679 (E_RNA)
where:
Base-Base interactions energy: -295.858
where: short stacking energy: -123.254
Base-Backbone interact. energy: -0.960
local terms energy: -142.683937
where:
bonds (distance) C4'-P energy: -28.566
bonds (distance) P-C4' energy: -31.527
flat angles C4'-P-C4' energy: -29.987
flat angles P-C4'-P energy: -20.087
tors. eta vs tors. theta energy: -32.517
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: 7, replica: 6
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -420.123794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.123794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.123794 (E_RNA)
where:
Base-Base interactions energy: -291.409
where: short stacking energy: -125.271
Base-Backbone interact. energy: -0.052
local terms energy: -128.662998
where:
bonds (distance) C4'-P energy: -23.914
bonds (distance) P-C4' energy: -24.698
flat angles C4'-P-C4' energy: -24.227
flat angles P-C4'-P energy: -20.353
tors. eta vs tors. theta energy: -35.471
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: 8, replica: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -293.876038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.876038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.876038 (E_RNA)
where:
Base-Base interactions energy: -194.833
where: short stacking energy: -75.629
Base-Backbone interact. energy: -0.670
local terms energy: -98.373283
where:
bonds (distance) C4'-P energy: -23.439
bonds (distance) P-C4' energy: -25.447
flat angles C4'-P-C4' energy: -26.242
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -9.102
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: 4
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -334.208774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.208774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.208774 (E_RNA)
where:
Base-Base interactions energy: -217.419
where: short stacking energy: -99.770
Base-Backbone interact. energy: -0.409
local terms energy: -116.381028
where:
bonds (distance) C4'-P energy: -23.009
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -33.489
flat angles P-C4'-P energy: -17.056
tors. eta vs tors. theta energy: -30.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -131.011753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.011753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.011753 (E_RNA)
where:
Base-Base interactions energy: -38.477
where: short stacking energy: -38.477
Base-Backbone interact. energy: -0.398
local terms energy: -92.136215
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -29.877
flat angles C4'-P-C4' energy: -26.613
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -518.948801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.948801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.948801 (E_RNA)
where:
Base-Base interactions energy: -364.886
where: short stacking energy: -152.223
Base-Backbone interact. energy: -0.443
local terms energy: -153.620386
where:
bonds (distance) C4'-P energy: -30.286
bonds (distance) P-C4' energy: -26.571
flat angles C4'-P-C4' energy: -28.642
flat angles P-C4'-P energy: -19.611
tors. eta vs tors. theta energy: -48.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -520.274852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.274852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.274852 (E_RNA)
where:
Base-Base interactions energy: -365.020
where: short stacking energy: -151.421
Base-Backbone interact. energy: -0.727
local terms energy: -154.527671
where:
bonds (distance) C4'-P energy: -24.811
bonds (distance) P-C4' energy: -28.510
flat angles C4'-P-C4' energy: -33.006
flat angles P-C4'-P energy: -25.509
tors. eta vs tors. theta energy: -42.692
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: 8
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -525.410404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.410404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.410404 (E_RNA)
where:
Base-Base interactions energy: -365.239
where: short stacking energy: -159.684
Base-Backbone interact. energy: -0.007
local terms energy: -160.165024
where:
bonds (distance) C4'-P energy: -27.961
bonds (distance) P-C4' energy: -29.088
flat angles C4'-P-C4' energy: -32.008
flat angles P-C4'-P energy: -26.242
tors. eta vs tors. theta energy: -44.866
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: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -520.827448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.827448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.827448 (E_RNA)
where:
Base-Base interactions energy: -366.830
where: short stacking energy: -160.252
Base-Backbone interact. energy: -0.017
local terms energy: -153.980525
where:
bonds (distance) C4'-P energy: -25.829
bonds (distance) P-C4' energy: -25.470
flat angles C4'-P-C4' energy: -31.106
flat angles P-C4'-P energy: -24.713
tors. eta vs tors. theta energy: -46.863
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: 5, replica: 9
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -473.969836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.969836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.969836 (E_RNA)
where:
Base-Base interactions energy: -339.061
where: short stacking energy: -144.128
Base-Backbone interact. energy: -0.063
local terms energy: -134.845047
where:
bonds (distance) C4'-P energy: -19.106
bonds (distance) P-C4' energy: -29.156
flat angles C4'-P-C4' energy: -26.926
flat angles P-C4'-P energy: -19.725
tors. eta vs tors. theta energy: -39.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -446.643546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.643546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.643546 (E_RNA)
where:
Base-Base interactions energy: -303.571
where: short stacking energy: -128.857
Base-Backbone interact. energy: 0.425
local terms energy: -143.497001
where:
bonds (distance) C4'-P energy: -26.275
bonds (distance) P-C4' energy: -29.199
flat angles C4'-P-C4' energy: -25.933
flat angles P-C4'-P energy: -20.415
tors. eta vs tors. theta energy: -41.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -412.627876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.627876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.627876 (E_RNA)
where:
Base-Base interactions energy: -282.128
where: short stacking energy: -116.553
Base-Backbone interact. energy: -0.074
local terms energy: -130.425945
where:
bonds (distance) C4'-P energy: -23.450
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -30.294
flat angles P-C4'-P energy: -20.886
tors. eta vs tors. theta energy: -31.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -297.095634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.095634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.095634 (E_RNA)
where:
Base-Base interactions energy: -197.428
where: short stacking energy: -89.996
Base-Backbone interact. energy: -1.379
local terms energy: -98.288561
where:
bonds (distance) C4'-P energy: -25.595
bonds (distance) P-C4' energy: -26.844
flat angles C4'-P-C4' energy: -24.773
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -7.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -315.644549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.644549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.644549 (E_RNA)
where:
Base-Base interactions energy: -208.665
where: short stacking energy: -85.151
Base-Backbone interact. energy: -0.115
local terms energy: -106.864958
where:
bonds (distance) C4'-P energy: -29.716
bonds (distance) P-C4' energy: -22.865
flat angles C4'-P-C4' energy: -24.486
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -16.672
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: 10, replica: 7
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -132.262338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.262338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.262338 (E_RNA)
where:
Base-Base interactions energy: -50.986
where: short stacking energy: -40.222
Base-Backbone interact. energy: 0.617
local terms energy: -81.893343
where:
bonds (distance) C4'-P energy: -27.413
bonds (distance) P-C4' energy: -31.773
flat angles C4'-P-C4' energy: -23.272
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: 10.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -528.851813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.851813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.851813 (E_RNA)
where:
Base-Base interactions energy: -370.622
where: short stacking energy: -155.013
Base-Backbone interact. energy: -0.135
local terms energy: -158.094949
where:
bonds (distance) C4'-P energy: -29.391
bonds (distance) P-C4' energy: -25.441
flat angles C4'-P-C4' energy: -34.823
flat angles P-C4'-P energy: -19.707
tors. eta vs tors. theta energy: -48.733
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: 5
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -509.552230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.552230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.552230 (E_RNA)
where:
Base-Base interactions energy: -358.194
where: short stacking energy: -164.562
Base-Backbone interact. energy: -0.594
local terms energy: -150.764242
where:
bonds (distance) C4'-P energy: -23.956
bonds (distance) P-C4' energy: -24.191
flat angles C4'-P-C4' energy: -35.867
flat angles P-C4'-P energy: -20.420
tors. eta vs tors. theta energy: -46.330
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: 3, replica: 8
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -519.387068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.387068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.387068 (E_RNA)
where:
Base-Base interactions energy: -366.616
where: short stacking energy: -159.990
Base-Backbone interact. energy: -0.108
local terms energy: -152.662917
where:
bonds (distance) C4'-P energy: -25.511
bonds (distance) P-C4' energy: -24.098
flat angles C4'-P-C4' energy: -31.407
flat angles P-C4'-P energy: -22.264
tors. eta vs tors. theta energy: -49.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -519.568889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.568889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.568889 (E_RNA)
where:
Base-Base interactions energy: -358.565
where: short stacking energy: -158.682
Base-Backbone interact. energy: -0.002
local terms energy: -161.001643
where:
bonds (distance) C4'-P energy: -33.873
bonds (distance) P-C4' energy: -23.129
flat angles C4'-P-C4' energy: -31.035
flat angles P-C4'-P energy: -23.555
tors. eta vs tors. theta energy: -49.409
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: 6
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -446.735210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.735210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.735210 (E_RNA)
where:
Base-Base interactions energy: -305.269
where: short stacking energy: -134.846
Base-Backbone interact. energy: -1.077
local terms energy: -140.388669
where:
bonds (distance) C4'-P energy: -27.790
bonds (distance) P-C4' energy: -30.149
flat angles C4'-P-C4' energy: -30.565
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -37.151
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: 9
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -461.538634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.538634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.538634 (E_RNA)
where:
Base-Base interactions energy: -318.240
where: short stacking energy: -141.734
Base-Backbone interact. energy: -0.083
local terms energy: -143.215457
where:
bonds (distance) C4'-P energy: -22.251
bonds (distance) P-C4' energy: -29.929
flat angles C4'-P-C4' energy: -31.238
flat angles P-C4'-P energy: -20.473
tors. eta vs tors. theta energy: -39.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -317.423804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.423804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.423804 (E_RNA)
where:
Base-Base interactions energy: -209.978
where: short stacking energy: -99.229
Base-Backbone interact. energy: -0.128
local terms energy: -107.317611
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -25.310
flat angles C4'-P-C4' energy: -25.966
flat angles P-C4'-P energy: -20.132
tors. eta vs tors. theta energy: -19.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -412.742351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.742351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.742351 (E_RNA)
where:
Base-Base interactions energy: -283.836
where: short stacking energy: -128.857
Base-Backbone interact. energy: -0.036
local terms energy: -128.870841
where:
bonds (distance) C4'-P energy: -22.802
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -31.474
flat angles P-C4'-P energy: -18.066
tors. eta vs tors. theta energy: -34.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -313.704300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.704300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.704300 (E_RNA)
where:
Base-Base interactions energy: -222.321
where: short stacking energy: -85.984
Base-Backbone interact. energy: 0.717
local terms energy: -92.099995
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -25.601
flat angles C4'-P-C4' energy: -23.287
flat angles P-C4'-P energy: -18.617
tors. eta vs tors. theta energy: -13.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -131.003294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.003294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.003294 (E_RNA)
where:
Base-Base interactions energy: -52.479
where: short stacking energy: -51.875
Base-Backbone interact. energy: -0.287
local terms energy: -78.237241
where:
bonds (distance) C4'-P energy: -22.901
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -23.248
flat angles P-C4'-P energy: -15.440
tors. eta vs tors. theta energy: 0.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -545.188423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.188423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.188423 (E_RNA)
where:
Base-Base interactions energy: -379.564
where: short stacking energy: -161.446
Base-Backbone interact. energy: -0.077
local terms energy: -165.547520
where:
bonds (distance) C4'-P energy: -26.347
bonds (distance) P-C4' energy: -33.141
flat angles C4'-P-C4' energy: -30.577
flat angles P-C4'-P energy: -24.615
tors. eta vs tors. theta energy: -50.867
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: 8
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -537.785047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.785047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.785047 (E_RNA)
where:
Base-Base interactions energy: -373.605
where: short stacking energy: -164.283
Base-Backbone interact. energy: -0.118
local terms energy: -164.061782
where:
bonds (distance) C4'-P energy: -27.523
bonds (distance) P-C4' energy: -32.673
flat angles C4'-P-C4' energy: -31.641
flat angles P-C4'-P energy: -21.774
tors. eta vs tors. theta energy: -50.451
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: 399
Temperature: 1.000000
Total energy: -512.403560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.403560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.403560 (E_RNA)
where:
Base-Base interactions energy: -358.298
where: short stacking energy: -151.577
Base-Backbone interact. energy: -0.631
local terms energy: -153.474057
where:
bonds (distance) C4'-P energy: -27.116
bonds (distance) P-C4' energy: -26.708
flat angles C4'-P-C4' energy: -30.852
flat angles P-C4'-P energy: -23.287
tors. eta vs tors. theta energy: -45.511
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: 2
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -522.903238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.903238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.903238 (E_RNA)
where:
Base-Base interactions energy: -376.718
where: short stacking energy: -155.936
Base-Backbone interact. energy: -0.203
local terms energy: -145.982539
where:
bonds (distance) C4'-P energy: -24.186
bonds (distance) P-C4' energy: -31.199
flat angles C4'-P-C4' energy: -28.402
flat angles P-C4'-P energy: -15.294
tors. eta vs tors. theta energy: -46.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -443.669910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.669910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.669910 (E_RNA)
where:
Base-Base interactions energy: -304.732
where: short stacking energy: -135.014
Base-Backbone interact. energy: -0.477
local terms energy: -138.461053
where:
bonds (distance) C4'-P energy: -23.370
bonds (distance) P-C4' energy: -25.511
flat angles C4'-P-C4' energy: -30.576
flat angles P-C4'-P energy: -18.130
tors. eta vs tors. theta energy: -40.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -469.385311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.385311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.385311 (E_RNA)
where:
Base-Base interactions energy: -328.216
where: short stacking energy: -147.153
Base-Backbone interact. energy: -0.788
local terms energy: -140.380998
where:
bonds (distance) C4'-P energy: -27.091
bonds (distance) P-C4' energy: -23.478
flat angles C4'-P-C4' energy: -30.248
flat angles P-C4'-P energy: -15.036
tors. eta vs tors. theta energy: -44.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -341.828010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.828010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.828010 (E_RNA)
where:
Base-Base interactions energy: -218.398
where: short stacking energy: -93.163
Base-Backbone interact. energy: -0.914
local terms energy: -122.516013
where:
bonds (distance) C4'-P energy: -26.838
bonds (distance) P-C4' energy: -27.131
flat angles C4'-P-C4' energy: -30.677
flat angles P-C4'-P energy: -16.389
tors. eta vs tors. theta energy: -21.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -421.024226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.024226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.024226 (E_RNA)
where:
Base-Base interactions energy: -288.330
where: short stacking energy: -122.481
Base-Backbone interact. energy: -0.158
local terms energy: -132.536181
where:
bonds (distance) C4'-P energy: -28.481
bonds (distance) P-C4' energy: -21.862
flat angles C4'-P-C4' energy: -28.239
flat angles P-C4'-P energy: -16.960
tors. eta vs tors. theta energy: -36.994
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: 4
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -311.252946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.252946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.252946 (E_RNA)
where:
Base-Base interactions energy: -207.744
where: short stacking energy: -94.748
Base-Backbone interact. energy: -0.382
local terms energy: -103.126135
where:
bonds (distance) C4'-P energy: -24.016
bonds (distance) P-C4' energy: -26.345
flat angles C4'-P-C4' energy: -25.504
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -19.570
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: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -146.503277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.503277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.503277 (E_RNA)
where:
Base-Base interactions energy: -56.734
where: short stacking energy: -44.910
Base-Backbone interact. energy: -0.312
local terms energy: -89.457313
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -32.247
flat angles C4'-P-C4' energy: -21.064
flat angles P-C4'-P energy: -20.259
tors. eta vs tors. theta energy: 1.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -540.864052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.864052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.864052 (E_RNA)
where:
Base-Base interactions energy: -379.267
where: short stacking energy: -164.428
Base-Backbone interact. energy: -0.994
local terms energy: -160.603531
where:
bonds (distance) C4'-P energy: -26.050
bonds (distance) P-C4' energy: -24.650
flat angles C4'-P-C4' energy: -35.239
flat angles P-C4'-P energy: -24.520
tors. eta vs tors. theta energy: -50.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -520.887413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.887413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.887413 (E_RNA)
where:
Base-Base interactions energy: -359.624
where: short stacking energy: -147.428
Base-Backbone interact. energy: -0.799
local terms energy: -160.464844
where:
bonds (distance) C4'-P energy: -27.456
bonds (distance) P-C4' energy: -28.469
flat angles C4'-P-C4' energy: -34.754
flat angles P-C4'-P energy: -21.981
tors. eta vs tors. theta energy: -47.805
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: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -514.815483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.815483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.815483 (E_RNA)
where:
Base-Base interactions energy: -359.802
where: short stacking energy: -140.105
Base-Backbone interact. energy: -0.312
local terms energy: -154.701407
where:
bonds (distance) C4'-P energy: -24.681
bonds (distance) P-C4' energy: -28.778
flat angles C4'-P-C4' energy: -33.956
flat angles P-C4'-P energy: -22.816
tors. eta vs tors. theta energy: -44.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -503.976859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.976859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.976859 (E_RNA)
where:
Base-Base interactions energy: -365.048
where: short stacking energy: -149.533
Base-Backbone interact. energy: -0.027
local terms energy: -138.902562
where:
bonds (distance) C4'-P energy: -20.182
bonds (distance) P-C4' energy: -25.340
flat angles C4'-P-C4' energy: -27.750
flat angles P-C4'-P energy: -20.348
tors. eta vs tors. theta energy: -45.282
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: 400
Temperature: 1.100000
Total energy: -435.455383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.455383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.455383 (E_RNA)
where:
Base-Base interactions energy: -296.308
where: short stacking energy: -122.591
Base-Backbone interact. energy: 0.317
local terms energy: -139.463819
where:
bonds (distance) C4'-P energy: -25.258
bonds (distance) P-C4' energy: -32.834
flat angles C4'-P-C4' energy: -31.785
flat angles P-C4'-P energy: -18.020
tors. eta vs tors. theta energy: -31.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -456.554556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.554556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.554556 (E_RNA)
where:
Base-Base interactions energy: -321.357
where: short stacking energy: -141.059
Base-Backbone interact. energy: -0.013
local terms energy: -135.184026
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -26.754
flat angles C4'-P-C4' energy: -28.428
flat angles P-C4'-P energy: -20.642
tors. eta vs tors. theta energy: -45.079
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: 3
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -429.305880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.305880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.305880 (E_RNA)
where:
Base-Base interactions energy: -290.299
where: short stacking energy: -131.957
Base-Backbone interact. energy: -0.021
local terms energy: -138.985969
where:
bonds (distance) C4'-P energy: -25.200
bonds (distance) P-C4' energy: -25.276
flat angles C4'-P-C4' energy: -27.697
flat angles P-C4'-P energy: -20.491
tors. eta vs tors. theta energy: -40.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -346.016491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.016491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.016491 (E_RNA)
where:
Base-Base interactions energy: -232.863
where: short stacking energy: -102.329
Base-Backbone interact. energy: -1.900
local terms energy: -111.252917
where:
bonds (distance) C4'-P energy: -25.500
bonds (distance) P-C4' energy: -24.220
flat angles C4'-P-C4' energy: -23.293
flat angles P-C4'-P energy: -15.194
tors. eta vs tors. theta energy: -23.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -318.210470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.210470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.210470 (E_RNA)
where:
Base-Base interactions energy: -215.074
where: short stacking energy: -85.093
Base-Backbone interact. energy: -0.285
local terms energy: -102.851557
where:
bonds (distance) C4'-P energy: -23.644
bonds (distance) P-C4' energy: -25.277
flat angles C4'-P-C4' energy: -22.879
flat angles P-C4'-P energy: -17.007
tors. eta vs tors. theta energy: -14.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -131.582045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.582045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.582045 (E_RNA)
where:
Base-Base interactions energy: -40.133
where: short stacking energy: -38.890
Base-Backbone interact. energy: -0.159
local terms energy: -91.290670
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -27.891
flat angles C4'-P-C4' energy: -23.737
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -6.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -525.315686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.315686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.315686 (E_RNA)
where:
Base-Base interactions energy: -372.013
where: short stacking energy: -150.908
Base-Backbone interact. energy: 0.133
local terms energy: -153.435351
where:
bonds (distance) C4'-P energy: -25.644
bonds (distance) P-C4' energy: -28.647
flat angles C4'-P-C4' energy: -30.928
flat angles P-C4'-P energy: -23.963
tors. eta vs tors. theta energy: -44.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -520.006692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.006692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.006692 (E_RNA)
where:
Base-Base interactions energy: -370.094
where: short stacking energy: -152.791
Base-Backbone interact. energy: 0.098
local terms energy: -150.011537
where:
bonds (distance) C4'-P energy: -25.473
bonds (distance) P-C4' energy: -25.854
flat angles C4'-P-C4' energy: -31.713
flat angles P-C4'-P energy: -23.865
tors. eta vs tors. theta energy: -43.106
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: 10
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -527.964062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.964062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.964062 (E_RNA)
where:
Base-Base interactions energy: -377.585
where: short stacking energy: -159.099
Base-Backbone interact. energy: -0.931
local terms energy: -149.448817
where:
bonds (distance) C4'-P energy: -21.324
bonds (distance) P-C4' energy: -26.409
flat angles C4'-P-C4' energy: -31.758
flat angles P-C4'-P energy: -20.345
tors. eta vs tors. theta energy: -49.613
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: 5
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -503.752398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.752398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.752398 (E_RNA)
where:
Base-Base interactions energy: -347.830
where: short stacking energy: -143.477
Base-Backbone interact. energy: -0.381
local terms energy: -155.540698
where:
bonds (distance) C4'-P energy: -29.591
bonds (distance) P-C4' energy: -27.643
flat angles C4'-P-C4' energy: -30.268
flat angles P-C4'-P energy: -20.154
tors. eta vs tors. theta energy: -47.884
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: 6
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -452.068817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.068817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.068817 (E_RNA)
where:
Base-Base interactions energy: -314.178
where: short stacking energy: -135.516
Base-Backbone interact. energy: 0.351
local terms energy: -138.241725
where:
bonds (distance) C4'-P energy: -22.760
bonds (distance) P-C4' energy: -27.069
flat angles C4'-P-C4' energy: -27.724
flat angles P-C4'-P energy: -19.258
tors. eta vs tors. theta energy: -41.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -451.261681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.261681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.261681 (E_RNA)
where:
Base-Base interactions energy: -307.253
where: short stacking energy: -138.120
Base-Backbone interact. energy: -0.158
local terms energy: -143.850490
where:
bonds (distance) C4'-P energy: -28.453
bonds (distance) P-C4' energy: -31.971
flat angles C4'-P-C4' energy: -28.553
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -40.024
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: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -429.354330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.354330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.354330 (E_RNA)
where:
Base-Base interactions energy: -291.565
where: short stacking energy: -122.259
Base-Backbone interact. energy: -0.327
local terms energy: -137.463243
where:
bonds (distance) C4'-P energy: -26.082
bonds (distance) P-C4' energy: -28.750
flat angles C4'-P-C4' energy: -26.567
flat angles P-C4'-P energy: -17.470
tors. eta vs tors. theta energy: -38.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -364.834633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.834633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.834633 (E_RNA)
where:
Base-Base interactions energy: -243.630
where: short stacking energy: -107.709
Base-Backbone interact. energy: -0.223
local terms energy: -120.982061
where:
bonds (distance) C4'-P energy: -22.497
bonds (distance) P-C4' energy: -25.241
flat angles C4'-P-C4' energy: -28.111
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -29.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -322.620032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.620032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.620032 (E_RNA)
where:
Base-Base interactions energy: -219.467
where: short stacking energy: -94.870
Base-Backbone interact. energy: 3.572
local terms energy: -106.724469
where:
bonds (distance) C4'-P energy: -23.194
bonds (distance) P-C4' energy: -24.590
flat angles C4'-P-C4' energy: -28.570
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -19.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -134.574735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.574735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.574735 (E_RNA)
where:
Base-Base interactions energy: -61.229
where: short stacking energy: -38.337
Base-Backbone interact. energy: 0.925
local terms energy: -74.271334
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -28.634
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: 3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -537.883860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.883860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.883860 (E_RNA)
where:
Base-Base interactions energy: -373.162
where: short stacking energy: -155.975
Base-Backbone interact. energy: 0.692
local terms energy: -165.413167
where:
bonds (distance) C4'-P energy: -29.357
bonds (distance) P-C4' energy: -30.449
flat angles C4'-P-C4' energy: -33.343
flat angles P-C4'-P energy: -23.966
tors. eta vs tors. theta energy: -48.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -520.297904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.297904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.297904 (E_RNA)
where:
Base-Base interactions energy: -368.605
where: short stacking energy: -149.657
Base-Backbone interact. energy: -0.527
local terms energy: -151.165223
where:
bonds (distance) C4'-P energy: -26.234
bonds (distance) P-C4' energy: -29.256
flat angles C4'-P-C4' energy: -32.603
flat angles P-C4'-P energy: -20.471
tors. eta vs tors. theta energy: -42.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -508.079385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.079385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.079385 (E_RNA)
where:
Base-Base interactions energy: -345.955
where: short stacking energy: -159.751
Base-Backbone interact. energy: -0.006
local terms energy: -162.118655
where:
bonds (distance) C4'-P energy: -28.598
bonds (distance) P-C4' energy: -26.786
flat angles C4'-P-C4' energy: -33.906
flat angles P-C4'-P energy: -24.368
tors. eta vs tors. theta energy: -48.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -518.737039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.737039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.737039 (E_RNA)
where:
Base-Base interactions energy: -371.169
where: short stacking energy: -146.698
Base-Backbone interact. energy: -0.056
local terms energy: -147.512059
where:
bonds (distance) C4'-P energy: -28.570
bonds (distance) P-C4' energy: -21.632
flat angles C4'-P-C4' energy: -30.267
flat angles P-C4'-P energy: -22.455
tors. eta vs tors. theta energy: -44.588
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: 9
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -457.899512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.899512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.899512 (E_RNA)
where:
Base-Base interactions energy: -321.131
where: short stacking energy: -134.374
Base-Backbone interact. energy: -0.683
local terms energy: -136.086297
where:
bonds (distance) C4'-P energy: -26.720
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -32.456
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -36.796
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: 6
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -434.915098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.915098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.915098 (E_RNA)
where:
Base-Base interactions energy: -301.051
where: short stacking energy: -127.728
Base-Backbone interact. energy: -0.314
local terms energy: -133.549350
where:
bonds (distance) C4'-P energy: -25.837
bonds (distance) P-C4' energy: -23.542
flat angles C4'-P-C4' energy: -25.988
flat angles P-C4'-P energy: -18.139
tors. eta vs tors. theta energy: -40.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -412.193676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.193676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.193676 (E_RNA)
where:
Base-Base interactions energy: -276.532
where: short stacking energy: -126.330
Base-Backbone interact. energy: -0.948
local terms energy: -134.713043
where:
bonds (distance) C4'-P energy: -23.148
bonds (distance) P-C4' energy: -26.544
flat angles C4'-P-C4' energy: -28.916
flat angles P-C4'-P energy: -20.605
tors. eta vs tors. theta energy: -35.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -311.285218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.285218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.285218 (E_RNA)
where:
Base-Base interactions energy: -218.533
where: short stacking energy: -81.026
Base-Backbone interact. energy: -0.264
local terms energy: -92.488279
where:
bonds (distance) C4'-P energy: -27.343
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -22.747
flat angles P-C4'-P energy: -4.485
tors. eta vs tors. theta energy: -19.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -320.795103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.795103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.795103 (E_RNA)
where:
Base-Base interactions energy: -208.511
where: short stacking energy: -87.546
Base-Backbone interact. energy: -0.184
local terms energy: -112.099939
where:
bonds (distance) C4'-P energy: -20.344
bonds (distance) P-C4' energy: -22.350
flat angles C4'-P-C4' energy: -28.584
flat angles P-C4'-P energy: -19.834
tors. eta vs tors. theta energy: -20.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -127.320648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.320648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.320648 (E_RNA)
where:
Base-Base interactions energy: -50.985
where: short stacking energy: -50.727
Base-Backbone interact. energy: -1.519
local terms energy: -74.816160
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -24.227
flat angles C4'-P-C4' energy: -19.085
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -1.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -536.478076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.478076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.478076 (E_RNA)
where:
Base-Base interactions energy: -380.857
where: short stacking energy: -149.208
Base-Backbone interact. energy: -0.189
local terms energy: -155.432196
where:
bonds (distance) C4'-P energy: -28.804
bonds (distance) P-C4' energy: -28.040
flat angles C4'-P-C4' energy: -33.468
flat angles P-C4'-P energy: -22.481
tors. eta vs tors. theta energy: -42.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -524.669808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.669808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.669808 (E_RNA)
where:
Base-Base interactions energy: -369.531
where: short stacking energy: -157.086
Base-Backbone interact. energy: -0.930
local terms energy: -154.208314
where:
bonds (distance) C4'-P energy: -27.364
bonds (distance) P-C4' energy: -30.140
flat angles C4'-P-C4' energy: -31.336
flat angles P-C4'-P energy: -18.090
tors. eta vs tors. theta energy: -47.278
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: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -512.963026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.963026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.963026 (E_RNA)
where:
Base-Base interactions energy: -356.736
where: short stacking energy: -142.813
Base-Backbone interact. energy: -0.075
local terms energy: -156.151798
where:
bonds (distance) C4'-P energy: -29.898
bonds (distance) P-C4' energy: -29.859
flat angles C4'-P-C4' energy: -30.503
flat angles P-C4'-P energy: -21.035
tors. eta vs tors. theta energy: -44.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -511.241839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.241839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.241839 (E_RNA)
where:
Base-Base interactions energy: -356.497
where: short stacking energy: -146.701
Base-Backbone interact. energy: -0.002
local terms energy: -154.742742
where:
bonds (distance) C4'-P energy: -23.147
bonds (distance) P-C4' energy: -27.861
flat angles C4'-P-C4' energy: -33.118
flat angles P-C4'-P energy: -22.219
tors. eta vs tors. theta energy: -48.398
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: 9
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -457.872816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.872816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.872816 (E_RNA)
where:
Base-Base interactions energy: -330.839
where: short stacking energy: -143.412
Base-Backbone interact. energy: -0.266
local terms energy: -126.767463
where:
bonds (distance) C4'-P energy: -22.306
bonds (distance) P-C4' energy: -25.059
flat angles C4'-P-C4' energy: -28.759
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -33.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -429.115600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.115600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.115600 (E_RNA)
where:
Base-Base interactions energy: -292.270
where: short stacking energy: -123.491
Base-Backbone interact. energy: -0.310
local terms energy: -136.536404
where:
bonds (distance) C4'-P energy: -28.970
bonds (distance) P-C4' energy: -26.678
flat angles C4'-P-C4' energy: -30.200
flat angles P-C4'-P energy: -17.055
tors. eta vs tors. theta energy: -33.634
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: 6
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -416.839729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.839729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.839729 (E_RNA)
where:
Base-Base interactions energy: -284.651
where: short stacking energy: -111.525
Base-Backbone interact. energy: -0.094
local terms energy: -132.095356
where:
bonds (distance) C4'-P energy: -27.166
bonds (distance) P-C4' energy: -28.255
flat angles C4'-P-C4' energy: -24.427
flat angles P-C4'-P energy: -16.718
tors. eta vs tors. theta energy: -35.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -342.720970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.720970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.720970 (E_RNA)
where:
Base-Base interactions energy: -224.149
where: short stacking energy: -91.199
Base-Backbone interact. energy: -0.452
local terms energy: -118.120167
where:
bonds (distance) C4'-P energy: -24.338
bonds (distance) P-C4' energy: -28.865
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -25.638
tors. eta vs tors. theta energy: -22.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -317.314760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.314760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.314760 (E_RNA)
where:
Base-Base interactions energy: -201.025
where: short stacking energy: -95.458
Base-Backbone interact. energy: 0.231
local terms energy: -116.521508
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -30.114
flat angles C4'-P-C4' energy: -27.217
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -26.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -130.527480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.527480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.527480 (E_RNA)
where:
Base-Base interactions energy: -42.121
where: short stacking energy: -39.327
Base-Backbone interact. energy: -0.478
local terms energy: -87.929231
where:
bonds (distance) C4'-P energy: -31.692
bonds (distance) P-C4' energy: -23.548
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -523.131996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.131996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.131996 (E_RNA)
where:
Base-Base interactions energy: -370.093
where: short stacking energy: -155.807
Base-Backbone interact. energy: -0.003
local terms energy: -153.035958
where:
bonds (distance) C4'-P energy: -29.292
bonds (distance) P-C4' energy: -27.246
flat angles C4'-P-C4' energy: -31.447
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: -47.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -522.330840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.330840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.330840 (E_RNA)
where:
Base-Base interactions energy: -371.278
where: short stacking energy: -137.372
Base-Backbone interact. energy: 0.072
local terms energy: -151.124644
where:
bonds (distance) C4'-P energy: -31.214
bonds (distance) P-C4' energy: -30.267
flat angles C4'-P-C4' energy: -30.343
flat angles P-C4'-P energy: -17.309
tors. eta vs tors. theta energy: -41.992
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: 10
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -517.555386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.555386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.555386 (E_RNA)
where:
Base-Base interactions energy: -364.543
where: short stacking energy: -149.179
Base-Backbone interact. energy: -0.285
local terms energy: -152.727541
where:
bonds (distance) C4'-P energy: -31.171
bonds (distance) P-C4' energy: -28.704
flat angles C4'-P-C4' energy: -27.487
flat angles P-C4'-P energy: -18.726
tors. eta vs tors. theta energy: -46.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -512.600240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.600240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.600240 (E_RNA)
where:
Base-Base interactions energy: -363.715
where: short stacking energy: -151.133
Base-Backbone interact. energy: -0.003
local terms energy: -148.882361
where:
bonds (distance) C4'-P energy: -26.627
bonds (distance) P-C4' energy: -27.285
flat angles C4'-P-C4' energy: -28.380
flat angles P-C4'-P energy: -20.985
tors. eta vs tors. theta energy: -45.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -439.173739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.173739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.173739 (E_RNA)
where:
Base-Base interactions energy: -301.067
where: short stacking energy: -134.684
Base-Backbone interact. energy: -0.006
local terms energy: -138.100429
where:
bonds (distance) C4'-P energy: -24.372
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -28.595
flat angles P-C4'-P energy: -23.762
tors. eta vs tors. theta energy: -39.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -444.415283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.415283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.415283 (E_RNA)
where:
Base-Base interactions energy: -305.581
where: short stacking energy: -129.037
Base-Backbone interact. energy: -0.367
local terms energy: -138.466484
where:
bonds (distance) C4'-P energy: -23.725
bonds (distance) P-C4' energy: -27.662
flat angles C4'-P-C4' energy: -29.116
flat angles P-C4'-P energy: -21.691
tors. eta vs tors. theta energy: -36.272
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: 6
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -402.770598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.770598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.770598 (E_RNA)
where:
Base-Base interactions energy: -287.915
where: short stacking energy: -130.355
Base-Backbone interact. energy: -0.069
local terms energy: -114.786943
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -27.870
flat angles C4'-P-C4' energy: -26.672
flat angles P-C4'-P energy: -15.815
tors. eta vs tors. theta energy: -31.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -313.168466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.168466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.168466 (E_RNA)
where:
Base-Base interactions energy: -204.061
where: short stacking energy: -93.209
Base-Backbone interact. energy: -0.255
local terms energy: -108.852450
where:
bonds (distance) C4'-P energy: -21.328
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -29.463
flat angles P-C4'-P energy: -17.288
tors. eta vs tors. theta energy: -22.676
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: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -301.244061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.244061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.244061 (E_RNA)
where:
Base-Base interactions energy: -199.509
where: short stacking energy: -79.089
Base-Backbone interact. energy: -1.304
local terms energy: -100.431413
where:
bonds (distance) C4'-P energy: -28.242
bonds (distance) P-C4' energy: -26.136
flat angles C4'-P-C4' energy: -24.732
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -13.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -133.678185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.678185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.678185 (E_RNA)
where:
Base-Base interactions energy: -54.015
where: short stacking energy: -52.112
Base-Backbone interact. energy: -0.211
local terms energy: -79.451967
where:
bonds (distance) C4'-P energy: -23.266
bonds (distance) P-C4' energy: -23.861
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -16.836
tors. eta vs tors. theta energy: -2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -519.628310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.628310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.628310 (E_RNA)
where:
Base-Base interactions energy: -361.869
where: short stacking energy: -155.320
Base-Backbone interact. energy: -0.262
local terms energy: -157.497340
where:
bonds (distance) C4'-P energy: -22.252
bonds (distance) P-C4' energy: -27.061
flat angles C4'-P-C4' energy: -32.452
flat angles P-C4'-P energy: -27.526
tors. eta vs tors. theta energy: -48.208
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: 10
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -528.295287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.295287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.295287 (E_RNA)
where:
Base-Base interactions energy: -370.477
where: short stacking energy: -158.234
Base-Backbone interact. energy: -0.003
local terms energy: -157.814782
where:
bonds (distance) C4'-P energy: -31.047
bonds (distance) P-C4' energy: -26.605
flat angles C4'-P-C4' energy: -32.387
flat angles P-C4'-P energy: -22.778
tors. eta vs tors. theta energy: -44.998
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: 8
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -507.851925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.851925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.851925 (E_RNA)
where:
Base-Base interactions energy: -358.516
where: short stacking energy: -150.947
Base-Backbone interact. energy: -0.083
local terms energy: -149.252779
where:
bonds (distance) C4'-P energy: -26.516
bonds (distance) P-C4' energy: -25.101
flat angles C4'-P-C4' energy: -33.416
flat angles P-C4'-P energy: -22.392
tors. eta vs tors. theta energy: -41.828
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: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -425.140599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.140599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.140599 (E_RNA)
where:
Base-Base interactions energy: -278.666
where: short stacking energy: -120.035
Base-Backbone interact. energy: -0.839
local terms energy: -145.636373
where:
bonds (distance) C4'-P energy: -25.895
bonds (distance) P-C4' energy: -27.176
flat angles C4'-P-C4' energy: -33.132
flat angles P-C4'-P energy: -25.019
tors. eta vs tors. theta energy: -34.414
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: 2
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -502.852372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.852372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.852372 (E_RNA)
where:
Base-Base interactions energy: -350.131
where: short stacking energy: -142.255
Base-Backbone interact. energy: -0.004
local terms energy: -152.718182
where:
bonds (distance) C4'-P energy: -30.681
bonds (distance) P-C4' energy: -26.198
flat angles C4'-P-C4' energy: -30.982
flat angles P-C4'-P energy: -20.450
tors. eta vs tors. theta energy: -44.406
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: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -423.711623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.711623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.711623 (E_RNA)
where:
Base-Base interactions energy: -285.249
where: short stacking energy: -130.065
Base-Backbone interact. energy: -0.030
local terms energy: -138.432312
where:
bonds (distance) C4'-P energy: -20.590
bonds (distance) P-C4' energy: -27.952
flat angles C4'-P-C4' energy: -30.987
flat angles P-C4'-P energy: -19.769
tors. eta vs tors. theta energy: -39.133
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: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -487.726959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.726959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.726959 (E_RNA)
where:
Base-Base interactions energy: -344.573
where: short stacking energy: -139.689
Base-Backbone interact. energy: -0.048
local terms energy: -143.106628
where:
bonds (distance) C4'-P energy: -19.285
bonds (distance) P-C4' energy: -28.082
flat angles C4'-P-C4' energy: -29.468
flat angles P-C4'-P energy: -21.178
tors. eta vs tors. theta energy: -45.094
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: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -311.731299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.731299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.731299 (E_RNA)
where:
Base-Base interactions energy: -206.308
where: short stacking energy: -80.250
Base-Backbone interact. energy: -1.201
local terms energy: -104.221778
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -28.319
flat angles C4'-P-C4' energy: -25.856
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -19.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -275.127492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.127492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.127492 (E_RNA)
where:
Base-Base interactions energy: -167.549
where: short stacking energy: -89.654
Base-Backbone interact. energy: -1.019
local terms energy: -106.559404
where:
bonds (distance) C4'-P energy: -26.694
bonds (distance) P-C4' energy: -28.430
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -17.846
tors. eta vs tors. theta energy: -13.977
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: 7
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -124.405129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.405129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.405129 (E_RNA)
where:
Base-Base interactions energy: -48.678
where: short stacking energy: -38.774
Base-Backbone interact. energy: 0.992
local terms energy: -76.719871
where:
bonds (distance) C4'-P energy: -20.875
bonds (distance) P-C4' energy: -25.315
flat angles C4'-P-C4' energy: -19.763
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: 1.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -545.564545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.564545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.564545 (E_RNA)
where:
Base-Base interactions energy: -384.880
where: short stacking energy: -162.079
Base-Backbone interact. energy: -1.156
local terms energy: -159.529237
where:
bonds (distance) C4'-P energy: -26.413
bonds (distance) P-C4' energy: -31.198
flat angles C4'-P-C4' energy: -30.684
flat angles P-C4'-P energy: -23.562
tors. eta vs tors. theta energy: -47.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -516.772419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.772419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.772419 (E_RNA)
where:
Base-Base interactions energy: -372.134
where: short stacking energy: -156.603
Base-Backbone interact. energy: -0.018
local terms energy: -144.620438
where:
bonds (distance) C4'-P energy: -27.186
bonds (distance) P-C4' energy: -25.259
flat angles C4'-P-C4' energy: -27.019
flat angles P-C4'-P energy: -17.618
tors. eta vs tors. theta energy: -47.538
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: 8
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -514.223049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.223049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.223049 (E_RNA)
where:
Base-Base interactions energy: -365.905
where: short stacking energy: -149.474
Base-Backbone interact. energy: -0.029
local terms energy: -148.289357
where:
bonds (distance) C4'-P energy: -28.163
bonds (distance) P-C4' energy: -25.371
flat angles C4'-P-C4' energy: -28.584
flat angles P-C4'-P energy: -24.351
tors. eta vs tors. theta energy: -41.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -433.561625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.561625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.561625 (E_RNA)
where:
Base-Base interactions energy: -292.878
where: short stacking energy: -126.001
Base-Backbone interact. energy: -0.747
local terms energy: -139.936229
where:
bonds (distance) C4'-P energy: -25.507
bonds (distance) P-C4' energy: -28.579
flat angles C4'-P-C4' energy: -31.365
flat angles P-C4'-P energy: -14.652
tors. eta vs tors. theta energy: -39.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -494.311512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.311512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.311512 (E_RNA)
where:
Base-Base interactions energy: -342.511
where: short stacking energy: -139.371
Base-Backbone interact. energy: -0.180
local terms energy: -151.619950
where:
bonds (distance) C4'-P energy: -28.351
bonds (distance) P-C4' energy: -30.751
flat angles C4'-P-C4' energy: -30.022
flat angles P-C4'-P energy: -22.215
tors. eta vs tors. theta energy: -40.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -439.021414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.021414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.021414 (E_RNA)
where:
Base-Base interactions energy: -301.202
where: short stacking energy: -137.380
Base-Backbone interact. energy: -0.127
local terms energy: -137.692698
where:
bonds (distance) C4'-P energy: -25.348
bonds (distance) P-C4' energy: -25.661
flat angles C4'-P-C4' energy: -27.851
flat angles P-C4'-P energy: -20.883
tors. eta vs tors. theta energy: -37.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -481.632014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.632014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.632014 (E_RNA)
where:
Base-Base interactions energy: -344.174
where: short stacking energy: -141.673
Base-Backbone interact. energy: -0.145
local terms energy: -137.313062
where:
bonds (distance) C4'-P energy: -22.799
bonds (distance) P-C4' energy: -26.259
flat angles C4'-P-C4' energy: -31.611
flat angles P-C4'-P energy: -17.048
tors. eta vs tors. theta energy: -39.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -329.667595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.667595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.667595 (E_RNA)
where:
Base-Base interactions energy: -216.164
where: short stacking energy: -89.297
Base-Backbone interact. energy: -0.415
local terms energy: -113.089162
where:
bonds (distance) C4'-P energy: -27.051
bonds (distance) P-C4' energy: -28.628
flat angles C4'-P-C4' energy: -24.791
flat angles P-C4'-P energy: -18.462
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -244.673344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.673344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.673344 (E_RNA)
where:
Base-Base interactions energy: -153.196
where: short stacking energy: -81.825
Base-Backbone interact. energy: -0.339
local terms energy: -91.138081
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -23.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -128.728222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.728222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.728222 (E_RNA)
where:
Base-Base interactions energy: -54.058
where: short stacking energy: -33.048
Base-Backbone interact. energy: -0.278
local terms energy: -74.392703
where:
bonds (distance) C4'-P energy: -21.074
bonds (distance) P-C4' energy: -28.390
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: 8.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -541.523741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.523741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.523741 (E_RNA)
where:
Base-Base interactions energy: -382.752
where: short stacking energy: -164.170
Base-Backbone interact. energy: -0.470
local terms energy: -158.301984
where:
bonds (distance) C4'-P energy: -29.104
bonds (distance) P-C4' energy: -28.032
flat angles C4'-P-C4' energy: -30.906
flat angles P-C4'-P energy: -22.476
tors. eta vs tors. theta energy: -47.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -525.270934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.270934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.270934 (E_RNA)
where:
Base-Base interactions energy: -373.381
where: short stacking energy: -158.895
Base-Backbone interact. energy: -0.129
local terms energy: -151.761107
where:
bonds (distance) C4'-P energy: -19.631
bonds (distance) P-C4' energy: -28.165
flat angles C4'-P-C4' energy: -33.026
flat angles P-C4'-P energy: -23.510
tors. eta vs tors. theta energy: -47.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -509.723774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.723774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.723774 (E_RNA)
where:
Base-Base interactions energy: -357.692
where: short stacking energy: -143.484
Base-Backbone interact. energy: -0.054
local terms energy: -151.978275
where:
bonds (distance) C4'-P energy: -26.727
bonds (distance) P-C4' energy: -21.856
flat angles C4'-P-C4' energy: -32.742
flat angles P-C4'-P energy: -22.287
tors. eta vs tors. theta energy: -48.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -499.007212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.007212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.007212 (E_RNA)
where:
Base-Base interactions energy: -350.428
where: short stacking energy: -146.361
Base-Backbone interact. energy: -0.358
local terms energy: -148.222009
where:
bonds (distance) C4'-P energy: -26.637
bonds (distance) P-C4' energy: -28.780
flat angles C4'-P-C4' energy: -32.531
flat angles P-C4'-P energy: -22.579
tors. eta vs tors. theta energy: -37.695
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: 3
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -436.769106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.769106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.769106 (E_RNA)
where:
Base-Base interactions energy: -296.706
where: short stacking energy: -136.149
Base-Backbone interact. energy: -1.085
local terms energy: -138.978546
where:
bonds (distance) C4'-P energy: -26.659
bonds (distance) P-C4' energy: -29.342
flat angles C4'-P-C4' energy: -29.580
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -37.318
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: 6, replica: 9
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -494.615773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.615773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.615773 (E_RNA)
where:
Base-Base interactions energy: -350.007
where: short stacking energy: -147.043
Base-Backbone interact. energy: -0.164
local terms energy: -144.444806
where:
bonds (distance) C4'-P energy: -24.022
bonds (distance) P-C4' energy: -27.513
flat angles C4'-P-C4' energy: -28.793
flat angles P-C4'-P energy: -20.715
tors. eta vs tors. theta energy: -43.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -426.872107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.872107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.872107 (E_RNA)
where:
Base-Base interactions energy: -293.775
where: short stacking energy: -134.451
Base-Backbone interact. energy: -0.420
local terms energy: -132.677467
where:
bonds (distance) C4'-P energy: -28.184
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -27.050
flat angles P-C4'-P energy: -17.485
tors. eta vs tors. theta energy: -40.315
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: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -327.697288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.697288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.697288 (E_RNA)
where:
Base-Base interactions energy: -215.995
where: short stacking energy: -96.972
Base-Backbone interact. energy: -0.869
local terms energy: -110.833389
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -30.076
flat angles C4'-P-C4' energy: -23.312
flat angles P-C4'-P energy: -14.657
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: 9, replica: 1
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -250.018772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.018772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.018772 (E_RNA)
where:
Base-Base interactions energy: -164.289
where: short stacking energy: -86.125
Base-Backbone interact. energy: -0.164
local terms energy: -85.566130
where:
bonds (distance) C4'-P energy: -9.223
bonds (distance) P-C4' energy: -24.042
flat angles C4'-P-C4' energy: -26.799
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -8.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -132.494369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.494369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.494369 (E_RNA)
where:
Base-Base interactions energy: -56.099
where: short stacking energy: -41.963
Base-Backbone interact. energy: 0.358
local terms energy: -76.753182
where:
bonds (distance) C4'-P energy: -26.209
bonds (distance) P-C4' energy: -27.408
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -0.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -543.138959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.138959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.138959 (E_RNA)
where:
Base-Base interactions energy: -379.792
where: short stacking energy: -158.226
Base-Backbone interact. energy: -0.005
local terms energy: -163.341377
where:
bonds (distance) C4'-P energy: -31.563
bonds (distance) P-C4' energy: -27.369
flat angles C4'-P-C4' energy: -31.393
flat angles P-C4'-P energy: -24.557
tors. eta vs tors. theta energy: -48.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -521.021345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.021345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.021345 (E_RNA)
where:
Base-Base interactions energy: -364.319
where: short stacking energy: -150.401
Base-Backbone interact. energy: 0.039
local terms energy: -156.741187
where:
bonds (distance) C4'-P energy: -26.017
bonds (distance) P-C4' energy: -29.878
flat angles C4'-P-C4' energy: -30.596
flat angles P-C4'-P energy: -24.999
tors. eta vs tors. theta energy: -45.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -500.015775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.015775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.015775 (E_RNA)
where:
Base-Base interactions energy: -353.395
where: short stacking energy: -142.557
Base-Backbone interact. energy: -0.802
local terms energy: -145.818253
where:
bonds (distance) C4'-P energy: -32.669
bonds (distance) P-C4' energy: -29.134
flat angles C4'-P-C4' energy: -30.662
flat angles P-C4'-P energy: -20.152
tors. eta vs tors. theta energy: -33.202
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: 4, replica: 5
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -490.245534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.245534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.245534 (E_RNA)
where:
Base-Base interactions energy: -344.426
where: short stacking energy: -143.946
Base-Backbone interact. energy: -0.024
local terms energy: -145.795223
where:
bonds (distance) C4'-P energy: -30.893
bonds (distance) P-C4' energy: -22.415
flat angles C4'-P-C4' energy: -31.766
flat angles P-C4'-P energy: -15.823
tors. eta vs tors. theta energy: -44.898
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: 5, replica: 9
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -505.770288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.770288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.770288 (E_RNA)
where:
Base-Base interactions energy: -353.759
where: short stacking energy: -144.888
Base-Backbone interact. energy: -0.541
local terms energy: -151.470901
where:
bonds (distance) C4'-P energy: -29.692
bonds (distance) P-C4' energy: -24.538
flat angles C4'-P-C4' energy: -30.184
flat angles P-C4'-P energy: -20.680
tors. eta vs tors. theta energy: -46.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -432.257855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.257855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.257855 (E_RNA)
where:
Base-Base interactions energy: -298.841
where: short stacking energy: -128.692
Base-Backbone interact. energy: -0.232
local terms energy: -133.184963
where:
bonds (distance) C4'-P energy: -19.880
bonds (distance) P-C4' energy: -28.444
flat angles C4'-P-C4' energy: -27.895
flat angles P-C4'-P energy: -19.551
tors. eta vs tors. theta energy: -37.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -429.937633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.937633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.937633 (E_RNA)
where:
Base-Base interactions energy: -292.260
where: short stacking energy: -134.173
Base-Backbone interact. energy: -0.010
local terms energy: -137.667640
where:
bonds (distance) C4'-P energy: -22.952
bonds (distance) P-C4' energy: -25.421
flat angles C4'-P-C4' energy: -28.229
flat angles P-C4'-P energy: -24.231
tors. eta vs tors. theta energy: -36.834
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: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -340.375619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.375619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.375619 (E_RNA)
where:
Base-Base interactions energy: -233.528
where: short stacking energy: -95.881
Base-Backbone interact. energy: -0.652
local terms energy: -106.195892
where:
bonds (distance) C4'-P energy: -29.712
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -20.666
flat angles P-C4'-P energy: -17.774
tors. eta vs tors. theta energy: -17.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -251.500240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.500240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.500240 (E_RNA)
where:
Base-Base interactions energy: -147.245
where: short stacking energy: -71.063
Base-Backbone interact. energy: 0.403
local terms energy: -104.657694
where:
bonds (distance) C4'-P energy: -20.351
bonds (distance) P-C4' energy: -29.420
flat angles C4'-P-C4' energy: -23.356
flat angles P-C4'-P energy: -19.962
tors. eta vs tors. theta energy: -11.568
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: 10, replica: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -157.193812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.193812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.193812 (E_RNA)
where:
Base-Base interactions energy: -74.369
where: short stacking energy: -48.077
Base-Backbone interact. energy: 2.150
local terms energy: -84.974881
where:
bonds (distance) C4'-P energy: -27.406
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -26.555
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -4.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -537.797885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.797885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.797885 (E_RNA)
where:
Base-Base interactions energy: -378.648
where: short stacking energy: -164.886
Base-Backbone interact. energy: -0.418
local terms energy: -158.731703
where:
bonds (distance) C4'-P energy: -23.577
bonds (distance) P-C4' energy: -29.697
flat angles C4'-P-C4' energy: -33.960
flat angles P-C4'-P energy: -24.477
tors. eta vs tors. theta energy: -47.020
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: 8
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -530.220842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.220842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.220842 (E_RNA)
where:
Base-Base interactions energy: -374.379
where: short stacking energy: -160.884
Base-Backbone interact. energy: 0.313
local terms energy: -156.154116
where:
bonds (distance) C4'-P energy: -22.621
bonds (distance) P-C4' energy: -31.149
flat angles C4'-P-C4' energy: -31.352
flat angles P-C4'-P energy: -24.506
tors. eta vs tors. theta energy: -46.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -506.829330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.829330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.829330 (E_RNA)
where:
Base-Base interactions energy: -361.059
where: short stacking energy: -141.583
Base-Backbone interact. energy: -0.538
local terms energy: -145.231843
where:
bonds (distance) C4'-P energy: -28.434
bonds (distance) P-C4' energy: -29.613
flat angles C4'-P-C4' energy: -29.842
flat angles P-C4'-P energy: -19.408
tors. eta vs tors. theta energy: -37.934
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: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -515.220725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.220725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.220725 (E_RNA)
where:
Base-Base interactions energy: -369.732
where: short stacking energy: -149.362
Base-Backbone interact. energy: -0.426
local terms energy: -145.062609
where:
bonds (distance) C4'-P energy: -20.381
bonds (distance) P-C4' energy: -31.510
flat angles C4'-P-C4' energy: -28.870
flat angles P-C4'-P energy: -22.042
tors. eta vs tors. theta energy: -42.260
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: 409
Temperature: 1.100000
Total energy: -481.758780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.758780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.758780 (E_RNA)
where:
Base-Base interactions energy: -331.205
where: short stacking energy: -142.800
Base-Backbone interact. energy: -0.173
local terms energy: -150.380571
where:
bonds (distance) C4'-P energy: -30.909
bonds (distance) P-C4' energy: -28.591
flat angles C4'-P-C4' energy: -29.804
flat angles P-C4'-P energy: -18.472
tors. eta vs tors. theta energy: -42.605
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: 3
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -445.019081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.019081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.019081 (E_RNA)
where:
Base-Base interactions energy: -306.793
where: short stacking energy: -125.516
Base-Backbone interact. energy: -0.782
local terms energy: -137.444085
where:
bonds (distance) C4'-P energy: -21.539
bonds (distance) P-C4' energy: -29.218
flat angles C4'-P-C4' energy: -33.751
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: -36.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -410.862764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.862764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.862764 (E_RNA)
where:
Base-Base interactions energy: -286.246
where: short stacking energy: -128.350
Base-Backbone interact. energy: 0.166
local terms energy: -124.783204
where:
bonds (distance) C4'-P energy: -26.343
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -23.292
flat angles P-C4'-P energy: -14.766
tors. eta vs tors. theta energy: -39.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -341.449551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.449551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.449551 (E_RNA)
where:
Base-Base interactions energy: -225.612
where: short stacking energy: -100.732
Base-Backbone interact. energy: -0.903
local terms energy: -114.934392
where:
bonds (distance) C4'-P energy: -27.206
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -23.946
flat angles P-C4'-P energy: -20.186
tors. eta vs tors. theta energy: -24.038
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: 1
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -207.692590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.692590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.692590 (E_RNA)
where:
Base-Base interactions energy: -125.467
where: short stacking energy: -55.979
Base-Backbone interact. energy: -0.699
local terms energy: -81.527403
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -21.776
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -12.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -122.665269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.665269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.665269 (E_RNA)
where:
Base-Base interactions energy: -39.283
where: short stacking energy: -39.283
Base-Backbone interact. energy: 0.769
local terms energy: -84.151216
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -23.066
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -18.497
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: 1, replica: 10
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -530.663290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.663290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.663290 (E_RNA)
where:
Base-Base interactions energy: -368.392
where: short stacking energy: -152.856
Base-Backbone interact. energy: -0.148
local terms energy: -162.123776
where:
bonds (distance) C4'-P energy: -28.388
bonds (distance) P-C4' energy: -30.798
flat angles C4'-P-C4' energy: -32.893
flat angles P-C4'-P energy: -22.261
tors. eta vs tors. theta energy: -47.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -526.928969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.928969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.928969 (E_RNA)
where:
Base-Base interactions energy: -377.365
where: short stacking energy: -157.099
Base-Backbone interact. energy: -0.026
local terms energy: -149.538013
where:
bonds (distance) C4'-P energy: -24.614
bonds (distance) P-C4' energy: -28.344
flat angles C4'-P-C4' energy: -31.512
flat angles P-C4'-P energy: -20.036
tors. eta vs tors. theta energy: -45.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -517.387927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.387927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.387927 (E_RNA)
where:
Base-Base interactions energy: -368.139
where: short stacking energy: -150.833
Base-Backbone interact. energy: -0.321
local terms energy: -148.928453
where:
bonds (distance) C4'-P energy: -27.651
bonds (distance) P-C4' energy: -30.876
flat angles C4'-P-C4' energy: -28.711
flat angles P-C4'-P energy: -17.668
tors. eta vs tors. theta energy: -44.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -500.491519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.491519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.491519 (E_RNA)
where:
Base-Base interactions energy: -356.030
where: short stacking energy: -147.804
Base-Backbone interact. energy: -0.595
local terms energy: -143.866260
where:
bonds (distance) C4'-P energy: -28.869
bonds (distance) P-C4' energy: -27.965
flat angles C4'-P-C4' energy: -26.619
flat angles P-C4'-P energy: -15.837
tors. eta vs tors. theta energy: -44.577
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: 410
Temperature: 1.100000
Total energy: -478.113931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.113931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.113931 (E_RNA)
where:
Base-Base interactions energy: -346.903
where: short stacking energy: -143.672
Base-Backbone interact. energy: -0.774
local terms energy: -130.437322
where:
bonds (distance) C4'-P energy: -24.334
bonds (distance) P-C4' energy: -25.139
flat angles C4'-P-C4' energy: -23.835
flat angles P-C4'-P energy: -14.806
tors. eta vs tors. theta energy: -42.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -454.056850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.056850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.056850 (E_RNA)
where:
Base-Base interactions energy: -303.749
where: short stacking energy: -132.488
Base-Backbone interact. energy: -0.094
local terms energy: -150.214585
where:
bonds (distance) C4'-P energy: -26.137
bonds (distance) P-C4' energy: -24.408
flat angles C4'-P-C4' energy: -32.791
flat angles P-C4'-P energy: -25.076
tors. eta vs tors. theta energy: -41.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -419.660097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.660097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.660097 (E_RNA)
where:
Base-Base interactions energy: -293.333
where: short stacking energy: -130.090
Base-Backbone interact. energy: -0.216
local terms energy: -126.110660
where:
bonds (distance) C4'-P energy: -24.658
bonds (distance) P-C4' energy: -24.298
flat angles C4'-P-C4' energy: -24.187
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -37.883
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: 410
Temperature: 1.250000
Total energy: -348.445645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.445645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.445645 (E_RNA)
where:
Base-Base interactions energy: -224.277
where: short stacking energy: -103.578
Base-Backbone interact. energy: -1.469
local terms energy: -122.698867
where:
bonds (distance) C4'-P energy: -20.349
bonds (distance) P-C4' energy: -30.692
flat angles C4'-P-C4' energy: -27.296
flat angles P-C4'-P energy: -18.566
tors. eta vs tors. theta energy: -25.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -196.362172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.362172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.362172 (E_RNA)
where:
Base-Base interactions energy: -113.677
where: short stacking energy: -44.675
Base-Backbone interact. energy: -0.509
local terms energy: -82.175475
where:
bonds (distance) C4'-P energy: -22.644
bonds (distance) P-C4' energy: -26.857
flat angles C4'-P-C4' energy: -24.269
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: 1.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -143.995677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.995677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.995677 (E_RNA)
where:
Base-Base interactions energy: -46.358
where: short stacking energy: -40.373
Base-Backbone interact. energy: -0.124
local terms energy: -97.513654
where:
bonds (distance) C4'-P energy: -29.029
bonds (distance) P-C4' energy: -24.258
flat angles C4'-P-C4' energy: -26.671
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: -3.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -536.718439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.718439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.718439 (E_RNA)
where:
Base-Base interactions energy: -375.380
where: short stacking energy: -162.193
Base-Backbone interact. energy: -0.012
local terms energy: -161.326518
where:
bonds (distance) C4'-P energy: -30.199
bonds (distance) P-C4' energy: -27.720
flat angles C4'-P-C4' energy: -32.553
flat angles P-C4'-P energy: -23.021
tors. eta vs tors. theta energy: -47.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -524.519200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.519200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.519200 (E_RNA)
where:
Base-Base interactions energy: -378.761
where: short stacking energy: -150.490
Base-Backbone interact. energy: -0.099
local terms energy: -145.658315
where:
bonds (distance) C4'-P energy: -25.391
bonds (distance) P-C4' energy: -24.114
flat angles C4'-P-C4' energy: -32.082
flat angles P-C4'-P energy: -23.325
tors. eta vs tors. theta energy: -40.746
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: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -521.012909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.012909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.012909 (E_RNA)
where:
Base-Base interactions energy: -364.695
where: short stacking energy: -151.304
Base-Backbone interact. energy: -0.001
local terms energy: -156.316660
where:
bonds (distance) C4'-P energy: -25.057
bonds (distance) P-C4' energy: -28.820
flat angles C4'-P-C4' energy: -31.151
flat angles P-C4'-P energy: -21.905
tors. eta vs tors. theta energy: -49.383
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: 411
Temperature: 1.050000
Total energy: -505.034883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.034883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.034883 (E_RNA)
where:
Base-Base interactions energy: -363.170
where: short stacking energy: -145.488
Base-Backbone interact. energy: -0.619
local terms energy: -141.246038
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -27.586
flat angles C4'-P-C4' energy: -30.342
flat angles P-C4'-P energy: -18.843
tors. eta vs tors. theta energy: -44.613
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: 5, replica: 5
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -497.683622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.683622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.683622 (E_RNA)
where:
Base-Base interactions energy: -352.740
where: short stacking energy: -158.881
Base-Backbone interact. energy: -2.127
local terms energy: -142.816422
where:
bonds (distance) C4'-P energy: -20.830
bonds (distance) P-C4' energy: -24.369
flat angles C4'-P-C4' energy: -30.063
flat angles P-C4'-P energy: -17.543
tors. eta vs tors. theta energy: -50.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -432.882634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.882634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.882634 (E_RNA)
where:
Base-Base interactions energy: -290.448
where: short stacking energy: -127.652
Base-Backbone interact. energy: -1.702
local terms energy: -140.732988
where:
bonds (distance) C4'-P energy: -31.132
bonds (distance) P-C4' energy: -28.150
flat angles C4'-P-C4' energy: -25.268
flat angles P-C4'-P energy: -20.628
tors. eta vs tors. theta energy: -35.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -421.038610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.038610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.038610 (E_RNA)
where:
Base-Base interactions energy: -290.145
where: short stacking energy: -121.653
Base-Backbone interact. energy: -0.002
local terms energy: -130.892013
where:
bonds (distance) C4'-P energy: -25.564
bonds (distance) P-C4' energy: -24.870
flat angles C4'-P-C4' energy: -24.874
flat angles P-C4'-P energy: -20.108
tors. eta vs tors. theta energy: -35.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -353.468185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.468185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.468185 (E_RNA)
where:
Base-Base interactions energy: -241.866
where: short stacking energy: -100.941
Base-Backbone interact. energy: -0.011
local terms energy: -111.591506
where:
bonds (distance) C4'-P energy: -22.675
bonds (distance) P-C4' energy: -22.467
flat angles C4'-P-C4' energy: -24.338
flat angles P-C4'-P energy: -15.533
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: 9, replica: 1
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -212.356274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.356274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.356274 (E_RNA)
where:
Base-Base interactions energy: -114.244
where: short stacking energy: -59.815
Base-Backbone interact. energy: -1.303
local terms energy: -96.809734
where:
bonds (distance) C4'-P energy: -22.828
bonds (distance) P-C4' energy: -23.789
flat angles C4'-P-C4' energy: -23.617
flat angles P-C4'-P energy: -17.948
tors. eta vs tors. theta energy: -8.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -147.191007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.191007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.191007 (E_RNA)
where:
Base-Base interactions energy: -59.929
where: short stacking energy: -46.860
Base-Backbone interact. energy: -0.537
local terms energy: -86.724478
where:
bonds (distance) C4'-P energy: -26.577
bonds (distance) P-C4' energy: -23.166
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: -5.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -530.785029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.785029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.785029 (E_RNA)
where:
Base-Base interactions energy: -383.964
where: short stacking energy: -146.169
Base-Backbone interact. energy: -0.262
local terms energy: -146.558516
where:
bonds (distance) C4'-P energy: -32.548
bonds (distance) P-C4' energy: -25.080
flat angles C4'-P-C4' energy: -25.970
flat angles P-C4'-P energy: -20.064
tors. eta vs tors. theta energy: -42.897
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: 10
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -539.520454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.520454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.520454 (E_RNA)
where:
Base-Base interactions energy: -375.889
where: short stacking energy: -165.087
Base-Backbone interact. energy: -0.845
local terms energy: -162.786718
where:
bonds (distance) C4'-P energy: -29.849
bonds (distance) P-C4' energy: -26.055
flat angles C4'-P-C4' energy: -34.426
flat angles P-C4'-P energy: -25.449
tors. eta vs tors. theta energy: -47.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -519.586218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.586218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.586218 (E_RNA)
where:
Base-Base interactions energy: -369.729
where: short stacking energy: -142.937
Base-Backbone interact. energy: -1.601
local terms energy: -148.256671
where:
bonds (distance) C4'-P energy: -25.699
bonds (distance) P-C4' energy: -31.223
flat angles C4'-P-C4' energy: -32.279
flat angles P-C4'-P energy: -23.013
tors. eta vs tors. theta energy: -36.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -508.605741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.605741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.605741 (E_RNA)
where:
Base-Base interactions energy: -376.162
where: short stacking energy: -141.304
Base-Backbone interact. energy: -0.140
local terms energy: -132.304113
where:
bonds (distance) C4'-P energy: -22.447
bonds (distance) P-C4' energy: -24.417
flat angles C4'-P-C4' energy: -26.841
flat angles P-C4'-P energy: -21.820
tors. eta vs tors. theta energy: -36.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -493.632175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.632175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.632175 (E_RNA)
where:
Base-Base interactions energy: -341.577
where: short stacking energy: -143.258
Base-Backbone interact. energy: -0.058
local terms energy: -151.997885
where:
bonds (distance) C4'-P energy: -28.052
bonds (distance) P-C4' energy: -27.791
flat angles C4'-P-C4' energy: -29.829
flat angles P-C4'-P energy: -19.119
tors. eta vs tors. theta energy: -47.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -418.079147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.079147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.079147 (E_RNA)
where:
Base-Base interactions energy: -285.374
where: short stacking energy: -128.367
Base-Backbone interact. energy: -0.176
local terms energy: -132.529314
where:
bonds (distance) C4'-P energy: -23.877
bonds (distance) P-C4' energy: -27.956
flat angles C4'-P-C4' energy: -28.231
flat angles P-C4'-P energy: -16.832
tors. eta vs tors. theta energy: -35.634
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: 3
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -414.926816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.926816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.926816 (E_RNA)
where:
Base-Base interactions energy: -288.695
where: short stacking energy: -125.569
Base-Backbone interact. energy: -0.811
local terms energy: -125.420690
where:
bonds (distance) C4'-P energy: -27.971
bonds (distance) P-C4' energy: -21.330
flat angles C4'-P-C4' energy: -29.179
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -33.150
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: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -359.124414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.124414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.124414 (E_RNA)
where:
Base-Base interactions energy: -233.508
where: short stacking energy: -95.771
Base-Backbone interact. energy: -0.767
local terms energy: -124.849531
where:
bonds (distance) C4'-P energy: -17.583
bonds (distance) P-C4' energy: -28.252
flat angles C4'-P-C4' energy: -26.565
flat angles P-C4'-P energy: -22.102
tors. eta vs tors. theta energy: -30.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -197.441366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.441366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.441366 (E_RNA)
where:
Base-Base interactions energy: -120.159
where: short stacking energy: -62.638
Base-Backbone interact. energy: -0.377
local terms energy: -76.904960
where:
bonds (distance) C4'-P energy: -28.107
bonds (distance) P-C4' energy: -24.731
flat angles C4'-P-C4' energy: -6.525
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -4.200
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: 10, replica: 7
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -148.880034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.880034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.880034 (E_RNA)
where:
Base-Base interactions energy: -73.511
where: short stacking energy: -45.419
Base-Backbone interact. energy: 1.252
local terms energy: -76.620458
where:
bonds (distance) C4'-P energy: -25.973
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -21.555
flat angles P-C4'-P energy: -14.865
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: 8
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -533.588309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.588309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.588309 (E_RNA)
where:
Base-Base interactions energy: -382.044
where: short stacking energy: -153.176
Base-Backbone interact. energy: -2.853
local terms energy: -148.691055
where:
bonds (distance) C4'-P energy: -26.610
bonds (distance) P-C4' energy: -26.867
flat angles C4'-P-C4' energy: -33.765
flat angles P-C4'-P energy: -17.782
tors. eta vs tors. theta energy: -43.667
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: 10
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -528.905327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.905327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.905327 (E_RNA)
where:
Base-Base interactions energy: -371.455
where: short stacking energy: -157.491
Base-Backbone interact. energy: -1.832
local terms energy: -155.618121
where:
bonds (distance) C4'-P energy: -25.556
bonds (distance) P-C4' energy: -30.832
flat angles C4'-P-C4' energy: -30.855
flat angles P-C4'-P energy: -21.322
tors. eta vs tors. theta energy: -47.053
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: 3, replica: 2
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -517.596084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.596084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.596084 (E_RNA)
where:
Base-Base interactions energy: -368.003
where: short stacking energy: -147.612
Base-Backbone interact. energy: -0.601
local terms energy: -148.992305
where:
bonds (distance) C4'-P energy: -24.496
bonds (distance) P-C4' energy: -22.274
flat angles C4'-P-C4' energy: -30.808
flat angles P-C4'-P energy: -23.903
tors. eta vs tors. theta energy: -47.511
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: 9
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -506.451561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.451561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.451561 (E_RNA)
where:
Base-Base interactions energy: -364.502
where: short stacking energy: -137.612
Base-Backbone interact. energy: 0.827
local terms energy: -142.776908
where:
bonds (distance) C4'-P energy: -24.153
bonds (distance) P-C4' energy: -28.494
flat angles C4'-P-C4' energy: -33.326
flat angles P-C4'-P energy: -17.405
tors. eta vs tors. theta energy: -39.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -487.616879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.616879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.616879 (E_RNA)
where:
Base-Base interactions energy: -340.697
where: short stacking energy: -153.286
Base-Backbone interact. energy: -0.471
local terms energy: -146.448823
where:
bonds (distance) C4'-P energy: -25.984
bonds (distance) P-C4' energy: -21.794
flat angles C4'-P-C4' energy: -31.981
flat angles P-C4'-P energy: -18.761
tors. eta vs tors. theta energy: -47.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -415.809152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.809152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.809152 (E_RNA)
where:
Base-Base interactions energy: -279.296
where: short stacking energy: -126.918
Base-Backbone interact. energy: -0.481
local terms energy: -136.032051
where:
bonds (distance) C4'-P energy: -25.155
bonds (distance) P-C4' energy: -27.549
flat angles C4'-P-C4' energy: -26.082
flat angles P-C4'-P energy: -18.142
tors. eta vs tors. theta energy: -39.103
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: 6
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -397.091724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.091724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.091724 (E_RNA)
where:
Base-Base interactions energy: -271.548
where: short stacking energy: -113.001
Base-Backbone interact. energy: 0.467
local terms energy: -126.010261
where:
bonds (distance) C4'-P energy: -23.835
bonds (distance) P-C4' energy: -24.764
flat angles C4'-P-C4' energy: -26.324
flat angles P-C4'-P energy: -23.370
tors. eta vs tors. theta energy: -27.718
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: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -357.070528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.070528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.070528 (E_RNA)
where:
Base-Base interactions energy: -240.865
where: short stacking energy: -104.652
Base-Backbone interact. energy: -0.433
local terms energy: -115.772896
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -22.132
flat angles C4'-P-C4' energy: -26.584
flat angles P-C4'-P energy: -20.254
tors. eta vs tors. theta energy: -26.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -214.645218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.645218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.645218 (E_RNA)
where:
Base-Base interactions energy: -110.661
where: short stacking energy: -67.214
Base-Backbone interact. energy: -0.450
local terms energy: -103.534371
where:
bonds (distance) C4'-P energy: -23.920
bonds (distance) P-C4' energy: -24.450
flat angles C4'-P-C4' energy: -27.351
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -15.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -135.678432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.678432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.678432 (E_RNA)
where:
Base-Base interactions energy: -51.135
where: short stacking energy: -50.548
Base-Backbone interact. energy: 0.912
local terms energy: -85.455172
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -25.361
flat angles C4'-P-C4' energy: -24.543
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -533.358423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.358423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.358423 (E_RNA)
where:
Base-Base interactions energy: -366.074
where: short stacking energy: -154.866
Base-Backbone interact. energy: -0.107
local terms energy: -167.177739
where:
bonds (distance) C4'-P energy: -28.347
bonds (distance) P-C4' energy: -33.419
flat angles C4'-P-C4' energy: -35.606
flat angles P-C4'-P energy: -25.075
tors. eta vs tors. theta energy: -44.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -521.765997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.765997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.765997 (E_RNA)
where:
Base-Base interactions energy: -359.885
where: short stacking energy: -147.906
Base-Backbone interact. energy: -0.413
local terms energy: -161.468906
where:
bonds (distance) C4'-P energy: -30.564
bonds (distance) P-C4' energy: -27.190
flat angles C4'-P-C4' energy: -35.890
flat angles P-C4'-P energy: -25.793
tors. eta vs tors. theta energy: -42.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -517.012242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.012242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.012242 (E_RNA)
where:
Base-Base interactions energy: -372.293
where: short stacking energy: -148.390
Base-Backbone interact. energy: 0.404
local terms energy: -145.123615
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -31.216
flat angles C4'-P-C4' energy: -29.217
flat angles P-C4'-P energy: -19.511
tors. eta vs tors. theta energy: -45.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -512.744267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.744267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.744267 (E_RNA)
where:
Base-Base interactions energy: -370.818
where: short stacking energy: -156.115
Base-Backbone interact. energy: -0.002
local terms energy: -141.924877
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -26.234
flat angles C4'-P-C4' energy: -32.972
flat angles P-C4'-P energy: -21.500
tors. eta vs tors. theta energy: -45.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -488.347925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.347925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.347925 (E_RNA)
where:
Base-Base interactions energy: -358.925
where: short stacking energy: -146.128
Base-Backbone interact. energy: -0.027
local terms energy: -129.395227
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -21.441
flat angles C4'-P-C4' energy: -28.572
flat angles P-C4'-P energy: -18.594
tors. eta vs tors. theta energy: -45.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -416.790166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.790166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.790166 (E_RNA)
where:
Base-Base interactions energy: -283.689
where: short stacking energy: -131.474
Base-Backbone interact. energy: -0.005
local terms energy: -133.096314
where:
bonds (distance) C4'-P energy: -19.417
bonds (distance) P-C4' energy: -24.185
flat angles C4'-P-C4' energy: -26.821
flat angles P-C4'-P energy: -19.601
tors. eta vs tors. theta energy: -43.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -365.038281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.038281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.038281 (E_RNA)
where:
Base-Base interactions energy: -241.542
where: short stacking energy: -116.905
Base-Backbone interact. energy: 0.828
local terms energy: -124.324467
where:
bonds (distance) C4'-P energy: -22.812
bonds (distance) P-C4' energy: -23.229
flat angles C4'-P-C4' energy: -26.580
flat angles P-C4'-P energy: -20.382
tors. eta vs tors. theta energy: -31.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -412.393661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.393661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.393661 (E_RNA)
where:
Base-Base interactions energy: -280.487
where: short stacking energy: -126.421
Base-Backbone interact. energy: -0.122
local terms energy: -131.784993
where:
bonds (distance) C4'-P energy: -27.055
bonds (distance) P-C4' energy: -27.721
flat angles C4'-P-C4' energy: -25.847
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: -32.928
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: 1
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -202.844756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.844756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.844756 (E_RNA)
where:
Base-Base interactions energy: -105.065
where: short stacking energy: -63.408
Base-Backbone interact. energy: -0.517
local terms energy: -97.262517
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -30.168
flat angles P-C4'-P energy: -17.247
tors. eta vs tors. theta energy: -10.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -133.796338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.796338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.796338 (E_RNA)
where:
Base-Base interactions energy: -58.927
where: short stacking energy: -49.615
Base-Backbone interact. energy: -0.673
local terms energy: -74.196368
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -21.191
flat angles C4'-P-C4' energy: -23.141
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -4.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -545.559926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.559926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.559926 (E_RNA)
where:
Base-Base interactions energy: -391.043
where: short stacking energy: -165.015
Base-Backbone interact. energy: -0.186
local terms energy: -154.330466
where:
bonds (distance) C4'-P energy: -26.718
bonds (distance) P-C4' energy: -26.986
flat angles C4'-P-C4' energy: -31.941
flat angles P-C4'-P energy: -19.584
tors. eta vs tors. theta energy: -49.100
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: 9
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -532.877848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.877848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.877848 (E_RNA)
where:
Base-Base interactions energy: -374.934
where: short stacking energy: -153.456
Base-Backbone interact. energy: -0.013
local terms energy: -157.930980
where:
bonds (distance) C4'-P energy: -29.241
bonds (distance) P-C4' energy: -31.295
flat angles C4'-P-C4' energy: -29.952
flat angles P-C4'-P energy: -21.311
tors. eta vs tors. theta energy: -46.133
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: 8
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -527.985847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.985847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.985847 (E_RNA)
where:
Base-Base interactions energy: -374.970
where: short stacking energy: -152.307
Base-Backbone interact. energy: -0.323
local terms energy: -152.693034
where:
bonds (distance) C4'-P energy: -24.683
bonds (distance) P-C4' energy: -25.566
flat angles C4'-P-C4' energy: -31.897
flat angles P-C4'-P energy: -24.068
tors. eta vs tors. theta energy: -46.478
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: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -510.600978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.600978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.600978 (E_RNA)
where:
Base-Base interactions energy: -362.120
where: short stacking energy: -147.973
Base-Backbone interact. energy: -0.052
local terms energy: -148.428815
where:
bonds (distance) C4'-P energy: -28.609
bonds (distance) P-C4' energy: -22.813
flat angles C4'-P-C4' energy: -34.516
flat angles P-C4'-P energy: -17.137
tors. eta vs tors. theta energy: -45.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -484.954361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.954361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.954361 (E_RNA)
where:
Base-Base interactions energy: -337.373
where: short stacking energy: -150.296
Base-Backbone interact. energy: -0.829
local terms energy: -146.752984
where:
bonds (distance) C4'-P energy: -27.485
bonds (distance) P-C4' energy: -22.337
flat angles C4'-P-C4' energy: -29.148
flat angles P-C4'-P energy: -22.879
tors. eta vs tors. theta energy: -44.904
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: 415
Temperature: 1.150000
Total energy: -433.591507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.591507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.591507 (E_RNA)
where:
Base-Base interactions energy: -301.680
where: short stacking energy: -129.862
Base-Backbone interact. energy: -0.476
local terms energy: -131.435636
where:
bonds (distance) C4'-P energy: -24.055
bonds (distance) P-C4' energy: -23.601
flat angles C4'-P-C4' energy: -25.696
flat angles P-C4'-P energy: -16.626
tors. eta vs tors. theta energy: -41.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -353.492609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.492609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.492609 (E_RNA)
where:
Base-Base interactions energy: -229.847
where: short stacking energy: -105.440
Base-Backbone interact. energy: -0.277
local terms energy: -123.369151
where:
bonds (distance) C4'-P energy: -28.056
bonds (distance) P-C4' energy: -24.317
flat angles C4'-P-C4' energy: -28.104
flat angles P-C4'-P energy: -16.881
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: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -417.956646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.956646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.956646 (E_RNA)
where:
Base-Base interactions energy: -289.090
where: short stacking energy: -137.351
Base-Backbone interact. energy: 1.487
local terms energy: -130.353477
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -21.235
flat angles C4'-P-C4' energy: -26.824
flat angles P-C4'-P energy: -21.110
tors. eta vs tors. theta energy: -41.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -167.738146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.738146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.738146 (E_RNA)
where:
Base-Base interactions energy: -82.226
where: short stacking energy: -46.159
Base-Backbone interact. energy: -1.295
local terms energy: -84.217120
where:
bonds (distance) C4'-P energy: -24.095
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -24.143
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: 0.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -129.129177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.129177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.129177 (E_RNA)
where:
Base-Base interactions energy: -52.223
where: short stacking energy: -31.964
Base-Backbone interact. energy: -1.709
local terms energy: -75.197485
where:
bonds (distance) C4'-P energy: -25.833
bonds (distance) P-C4' energy: -21.770
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: 9.145
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: 10
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -539.841496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.841496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.841496 (E_RNA)
where:
Base-Base interactions energy: -387.584
where: short stacking energy: -153.676
Base-Backbone interact. energy: -0.436
local terms energy: -151.821571
where:
bonds (distance) C4'-P energy: -23.764
bonds (distance) P-C4' energy: -28.007
flat angles C4'-P-C4' energy: -30.681
flat angles P-C4'-P energy: -21.068
tors. eta vs tors. theta energy: -48.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -523.489904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.489904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.489904 (E_RNA)
where:
Base-Base interactions energy: -363.902
where: short stacking energy: -144.374
Base-Backbone interact. energy: -0.065
local terms energy: -159.523731
where:
bonds (distance) C4'-P energy: -26.184
bonds (distance) P-C4' energy: -31.809
flat angles C4'-P-C4' energy: -31.973
flat angles P-C4'-P energy: -22.615
tors. eta vs tors. theta energy: -46.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -521.918618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.918618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.918618 (E_RNA)
where:
Base-Base interactions energy: -373.051
where: short stacking energy: -146.910
Base-Backbone interact. energy: -0.453
local terms energy: -148.414602
where:
bonds (distance) C4'-P energy: -27.596
bonds (distance) P-C4' energy: -23.714
flat angles C4'-P-C4' energy: -31.409
flat angles P-C4'-P energy: -21.835
tors. eta vs tors. theta energy: -43.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -518.214801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.214801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.214801 (E_RNA)
where:
Base-Base interactions energy: -367.795
where: short stacking energy: -154.443
Base-Backbone interact. energy: -0.155
local terms energy: -150.264107
where:
bonds (distance) C4'-P energy: -24.469
bonds (distance) P-C4' energy: -24.406
flat angles C4'-P-C4' energy: -31.296
flat angles P-C4'-P energy: -26.015
tors. eta vs tors. theta energy: -44.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -500.865728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.865728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.865728 (E_RNA)
where:
Base-Base interactions energy: -358.692
where: short stacking energy: -146.382
Base-Backbone interact. energy: 0.178
local terms energy: -142.351583
where:
bonds (distance) C4'-P energy: -23.532
bonds (distance) P-C4' energy: -24.699
flat angles C4'-P-C4' energy: -27.867
flat angles P-C4'-P energy: -19.174
tors. eta vs tors. theta energy: -47.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -429.419446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.419446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.419446 (E_RNA)
where:
Base-Base interactions energy: -294.540
where: short stacking energy: -134.238
Base-Backbone interact. energy: -0.164
local terms energy: -134.715136
where:
bonds (distance) C4'-P energy: -24.319
bonds (distance) P-C4' energy: -26.576
flat angles C4'-P-C4' energy: -22.585
flat angles P-C4'-P energy: -19.888
tors. eta vs tors. theta energy: -41.347
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: 6
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -418.108428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.108428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.108428 (E_RNA)
where:
Base-Base interactions energy: -292.032
where: short stacking energy: -116.567
Base-Backbone interact. energy: -0.246
local terms energy: -125.830888
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -22.748
flat angles C4'-P-C4' energy: -28.847
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -38.170
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: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -331.019721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.019721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.019721 (E_RNA)
where:
Base-Base interactions energy: -215.759
where: short stacking energy: -94.491
Base-Backbone interact. energy: 0.226
local terms energy: -115.487207
where:
bonds (distance) C4'-P energy: -26.797
bonds (distance) P-C4' energy: -21.828
flat angles C4'-P-C4' energy: -27.132
flat angles P-C4'-P energy: -16.010
tors. eta vs tors. theta energy: -23.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -143.357943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.357943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.357943 (E_RNA)
where:
Base-Base interactions energy: -50.757
where: short stacking energy: -48.160
Base-Backbone interact. energy: -0.631
local terms energy: -91.969862
where:
bonds (distance) C4'-P energy: -25.573
bonds (distance) P-C4' energy: -24.263
flat angles C4'-P-C4' energy: -20.778
flat angles P-C4'-P energy: -17.411
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: 10, replica: 7
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -139.512718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.512718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.512718 (E_RNA)
where:
Base-Base interactions energy: -63.533
where: short stacking energy: -54.985
Base-Backbone interact. energy: 0.608
local terms energy: -76.587094
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -24.351
flat angles P-C4'-P energy: -8.596
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: 10
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -536.470286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.470286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.470286 (E_RNA)
where:
Base-Base interactions energy: -380.531
where: short stacking energy: -147.650
Base-Backbone interact. energy: -0.063
local terms energy: -155.876590
where:
bonds (distance) C4'-P energy: -29.836
bonds (distance) P-C4' energy: -28.855
flat angles C4'-P-C4' energy: -28.658
flat angles P-C4'-P energy: -24.730
tors. eta vs tors. theta energy: -43.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -525.164898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.164898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.164898 (E_RNA)
where:
Base-Base interactions energy: -367.803
where: short stacking energy: -153.769
Base-Backbone interact. energy: -0.112
local terms energy: -157.249232
where:
bonds (distance) C4'-P energy: -29.103
bonds (distance) P-C4' energy: -26.246
flat angles C4'-P-C4' energy: -32.905
flat angles P-C4'-P energy: -24.765
tors. eta vs tors. theta energy: -44.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -521.098395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.098395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.098395 (E_RNA)
where:
Base-Base interactions energy: -372.877
where: short stacking energy: -151.853
Base-Backbone interact. energy: -0.002
local terms energy: -148.219365
where:
bonds (distance) C4'-P energy: -27.673
bonds (distance) P-C4' energy: -23.235
flat angles C4'-P-C4' energy: -26.587
flat angles P-C4'-P energy: -25.738
tors. eta vs tors. theta energy: -44.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -502.989939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.989939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.989939 (E_RNA)
where:
Base-Base interactions energy: -356.140
where: short stacking energy: -146.478
Base-Backbone interact. energy: -0.007
local terms energy: -146.842544
where:
bonds (distance) C4'-P energy: -23.299
bonds (distance) P-C4' energy: -28.684
flat angles C4'-P-C4' energy: -32.529
flat angles P-C4'-P energy: -21.128
tors. eta vs tors. theta energy: -41.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -506.546813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.546813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.546813 (E_RNA)
where:
Base-Base interactions energy: -350.611
where: short stacking energy: -141.852
Base-Backbone interact. energy: -0.689
local terms energy: -155.246652
where:
bonds (distance) C4'-P energy: -30.880
bonds (distance) P-C4' energy: -31.604
flat angles C4'-P-C4' energy: -27.809
flat angles P-C4'-P energy: -23.277
tors. eta vs tors. theta energy: -41.677
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: 6
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -418.136678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.136678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.136678 (E_RNA)
where:
Base-Base interactions energy: -281.528
where: short stacking energy: -125.478
Base-Backbone interact. energy: -0.938
local terms energy: -135.671265
where:
bonds (distance) C4'-P energy: -23.582
bonds (distance) P-C4' energy: -30.019
flat angles C4'-P-C4' energy: -28.510
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -36.359
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: 7, replica: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -438.089141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.089141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.089141 (E_RNA)
where:
Base-Base interactions energy: -297.159
where: short stacking energy: -137.478
Base-Backbone interact. energy: -0.183
local terms energy: -140.747204
where:
bonds (distance) C4'-P energy: -30.234
bonds (distance) P-C4' energy: -26.839
flat angles C4'-P-C4' energy: -22.522
flat angles P-C4'-P energy: -20.395
tors. eta vs tors. theta energy: -40.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -372.751978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.751978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.751978 (E_RNA)
where:
Base-Base interactions energy: -247.940
where: short stacking energy: -106.250
Base-Backbone interact. energy: 0.140
local terms energy: -124.951683
where:
bonds (distance) C4'-P energy: -27.376
bonds (distance) P-C4' energy: -26.804
flat angles C4'-P-C4' energy: -27.833
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -29.775
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: 1
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -160.101586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.101586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.101586 (E_RNA)
where:
Base-Base interactions energy: -62.298
where: short stacking energy: -47.350
Base-Backbone interact. energy: -0.246
local terms energy: -97.557346
where:
bonds (distance) C4'-P energy: -25.605
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -26.700
flat angles P-C4'-P energy: -21.974
tors. eta vs tors. theta energy: -6.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -129.131680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.131680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.131680 (E_RNA)
where:
Base-Base interactions energy: -36.509
where: short stacking energy: -30.554
Base-Backbone interact. energy: -0.412
local terms energy: -92.211141
where:
bonds (distance) C4'-P energy: -25.867
bonds (distance) P-C4' energy: -28.428
flat angles C4'-P-C4' energy: -23.590
flat angles P-C4'-P energy: -19.631
tors. eta vs tors. theta energy: 5.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -548.992074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.992074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.992074 (E_RNA)
where:
Base-Base interactions energy: -386.870
where: short stacking energy: -148.859
Base-Backbone interact. energy: -0.526
local terms energy: -161.595872
where:
bonds (distance) C4'-P energy: -27.476
bonds (distance) P-C4' energy: -31.460
flat angles C4'-P-C4' energy: -31.571
flat angles P-C4'-P energy: -24.892
tors. eta vs tors. theta energy: -46.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -530.657776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.657776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.657776 (E_RNA)
where:
Base-Base interactions energy: -369.823
where: short stacking energy: -156.161
Base-Backbone interact. energy: -0.413
local terms energy: -160.421522
where:
bonds (distance) C4'-P energy: -26.808
bonds (distance) P-C4' energy: -29.632
flat angles C4'-P-C4' energy: -34.966
flat angles P-C4'-P energy: -23.444
tors. eta vs tors. theta energy: -45.571
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: 5
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -514.938762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.938762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.938762 (E_RNA)
where:
Base-Base interactions energy: -367.776
where: short stacking energy: -149.709
Base-Backbone interact. energy: -0.289
local terms energy: -146.873367
where:
bonds (distance) C4'-P energy: -26.131
bonds (distance) P-C4' energy: -25.180
flat angles C4'-P-C4' energy: -33.965
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: -48.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -511.549393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.549393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.549393 (E_RNA)
where:
Base-Base interactions energy: -356.342
where: short stacking energy: -159.441
Base-Backbone interact. energy: -0.017
local terms energy: -155.190222
where:
bonds (distance) C4'-P energy: -30.818
bonds (distance) P-C4' energy: -26.074
flat angles C4'-P-C4' energy: -31.807
flat angles P-C4'-P energy: -20.653
tors. eta vs tors. theta energy: -45.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -508.204190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.204190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.204190 (E_RNA)
where:
Base-Base interactions energy: -360.064
where: short stacking energy: -155.921
Base-Backbone interact. energy: -0.358
local terms energy: -147.781999
where:
bonds (distance) C4'-P energy: -30.438
bonds (distance) P-C4' energy: -26.355
flat angles C4'-P-C4' energy: -25.198
flat angles P-C4'-P energy: -19.551
tors. eta vs tors. theta energy: -46.240
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: 6
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -419.245067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.245067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.245067 (E_RNA)
where:
Base-Base interactions energy: -286.293
where: short stacking energy: -130.379
Base-Backbone interact. energy: 1.767
local terms energy: -134.718613
where:
bonds (distance) C4'-P energy: -21.568
bonds (distance) P-C4' energy: -23.780
flat angles C4'-P-C4' energy: -29.911
flat angles P-C4'-P energy: -19.548
tors. eta vs tors. theta energy: -39.912
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: 7, replica: 3
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -440.166944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.166944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.166944 (E_RNA)
where:
Base-Base interactions energy: -302.775
where: short stacking energy: -138.933
Base-Backbone interact. energy: -0.621
local terms energy: -136.771282
where:
bonds (distance) C4'-P energy: -25.354
bonds (distance) P-C4' energy: -23.350
flat angles C4'-P-C4' energy: -27.424
flat angles P-C4'-P energy: -19.177
tors. eta vs tors. theta energy: -41.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -357.439955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.439955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.439955 (E_RNA)
where:
Base-Base interactions energy: -238.724
where: short stacking energy: -103.527
Base-Backbone interact. energy: 0.199
local terms energy: -118.914930
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -27.252
flat angles C4'-P-C4' energy: -28.918
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -32.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -142.185381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.185381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.185381 (E_RNA)
where:
Base-Base interactions energy: -46.073
where: short stacking energy: -46.043
Base-Backbone interact. energy: -0.333
local terms energy: -95.779681
where:
bonds (distance) C4'-P energy: -23.265
bonds (distance) P-C4' energy: -24.904
flat angles C4'-P-C4' energy: -21.184
flat angles P-C4'-P energy: -19.432
tors. eta vs tors. theta energy: -6.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -138.536634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.536634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.536634 (E_RNA)
where:
Base-Base interactions energy: -49.941
where: short stacking energy: -43.075
Base-Backbone interact. energy: 0.420
local terms energy: -89.015536
where:
bonds (distance) C4'-P energy: -19.567
bonds (distance) P-C4' energy: -26.019
flat angles C4'-P-C4' energy: -25.380
flat angles P-C4'-P energy: -12.401
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: 1, replica: 10
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -542.455282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.455282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.455282 (E_RNA)
where:
Base-Base interactions energy: -382.649
where: short stacking energy: -156.630
Base-Backbone interact. energy: -0.870
local terms energy: -158.935903
where:
bonds (distance) C4'-P energy: -28.451
bonds (distance) P-C4' energy: -26.736
flat angles C4'-P-C4' energy: -34.343
flat angles P-C4'-P energy: -25.529
tors. eta vs tors. theta energy: -43.877
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: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -539.522654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.522654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.522654 (E_RNA)
where:
Base-Base interactions energy: -371.478
where: short stacking energy: -156.140
Base-Backbone interact. energy: -0.008
local terms energy: -168.036717
where:
bonds (distance) C4'-P energy: -32.898
bonds (distance) P-C4' energy: -29.336
flat angles C4'-P-C4' energy: -33.528
flat angles P-C4'-P energy: -22.078
tors. eta vs tors. theta energy: -50.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -510.931253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.931253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.931253 (E_RNA)
where:
Base-Base interactions energy: -362.112
where: short stacking energy: -149.005
Base-Backbone interact. energy: -0.455
local terms energy: -148.364676
where:
bonds (distance) C4'-P energy: -27.902
bonds (distance) P-C4' energy: -26.232
flat angles C4'-P-C4' energy: -28.427
flat angles P-C4'-P energy: -22.081
tors. eta vs tors. theta energy: -43.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -509.752622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.752622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.752622 (E_RNA)
where:
Base-Base interactions energy: -370.731
where: short stacking energy: -159.664
Base-Backbone interact. energy: -0.164
local terms energy: -138.858312
where:
bonds (distance) C4'-P energy: -22.895
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -30.688
flat angles P-C4'-P energy: -17.989
tors. eta vs tors. theta energy: -43.882
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: 8
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -497.894995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.894995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.894995 (E_RNA)
where:
Base-Base interactions energy: -355.872
where: short stacking energy: -140.745
Base-Backbone interact. energy: -0.644
local terms energy: -141.379277
where:
bonds (distance) C4'-P energy: -20.845
bonds (distance) P-C4' energy: -27.922
flat angles C4'-P-C4' energy: -31.215
flat angles P-C4'-P energy: -21.611
tors. eta vs tors. theta energy: -39.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -439.922197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.922197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.922197 (E_RNA)
where:
Base-Base interactions energy: -305.056
where: short stacking energy: -134.010
Base-Backbone interact. energy: -1.974
local terms energy: -132.892529
where:
bonds (distance) C4'-P energy: -18.701
bonds (distance) P-C4' energy: -29.244
flat angles C4'-P-C4' energy: -28.477
flat angles P-C4'-P energy: -17.192
tors. eta vs tors. theta energy: -39.278
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: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -431.186858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.186858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.186858 (E_RNA)
where:
Base-Base interactions energy: -289.141
where: short stacking energy: -133.858
Base-Backbone interact. energy: -0.018
local terms energy: -142.027700
where:
bonds (distance) C4'-P energy: -29.165
bonds (distance) P-C4' energy: -18.313
flat angles C4'-P-C4' energy: -31.494
flat angles P-C4'-P energy: -20.311
tors. eta vs tors. theta energy: -42.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -349.317353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.317353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.317353 (E_RNA)
where:
Base-Base interactions energy: -228.284
where: short stacking energy: -95.347
Base-Backbone interact. energy: -0.482
local terms energy: -120.551780
where:
bonds (distance) C4'-P energy: -22.236
bonds (distance) P-C4' energy: -22.833
flat angles C4'-P-C4' energy: -27.762
flat angles P-C4'-P energy: -22.131
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: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -176.768781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.768781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.768781 (E_RNA)
where:
Base-Base interactions energy: -93.143
where: short stacking energy: -59.833
Base-Backbone interact. energy: -0.674
local terms energy: -82.951210
where:
bonds (distance) C4'-P energy: -26.032
bonds (distance) P-C4' energy: -20.620
flat angles C4'-P-C4' energy: -25.955
flat angles P-C4'-P energy: -6.678
tors. eta vs tors. theta energy: -3.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -127.462408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.462408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.462408 (E_RNA)
where:
Base-Base interactions energy: -41.499
where: short stacking energy: -41.499
Base-Backbone interact. energy: -0.153
local terms energy: -85.810218
where:
bonds (distance) C4'-P energy: -22.362
bonds (distance) P-C4' energy: -28.374
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -540.877062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.877062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.877062 (E_RNA)
where:
Base-Base interactions energy: -377.613
where: short stacking energy: -157.509
Base-Backbone interact. energy: -0.042
local terms energy: -163.222122
where:
bonds (distance) C4'-P energy: -26.023
bonds (distance) P-C4' energy: -28.557
flat angles C4'-P-C4' energy: -31.496
flat angles P-C4'-P energy: -26.402
tors. eta vs tors. theta energy: -50.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -522.133259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.133259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.133259 (E_RNA)
where:
Base-Base interactions energy: -372.617
where: short stacking energy: -150.326
Base-Backbone interact. energy: -0.172
local terms energy: -149.344191
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -27.127
flat angles C4'-P-C4' energy: -34.287
flat angles P-C4'-P energy: -20.060
tors. eta vs tors. theta energy: -46.686
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: 3, replica: 5
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -511.199402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.199402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.199402 (E_RNA)
where:
Base-Base interactions energy: -362.700
where: short stacking energy: -145.026
Base-Backbone interact. energy: -0.730
local terms energy: -147.769316
where:
bonds (distance) C4'-P energy: -27.510
bonds (distance) P-C4' energy: -28.002
flat angles C4'-P-C4' energy: -30.887
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -47.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -508.577019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.577019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.577019 (E_RNA)
where:
Base-Base interactions energy: -360.084
where: short stacking energy: -146.650
Base-Backbone interact. energy: -0.819
local terms energy: -147.673975
where:
bonds (distance) C4'-P energy: -23.081
bonds (distance) P-C4' energy: -25.002
flat angles C4'-P-C4' energy: -30.862
flat angles P-C4'-P energy: -20.302
tors. eta vs tors. theta energy: -48.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -500.935016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.935016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.935016 (E_RNA)
where:
Base-Base interactions energy: -360.428
where: short stacking energy: -155.579
Base-Backbone interact. energy: -0.814
local terms energy: -139.692868
where:
bonds (distance) C4'-P energy: -22.331
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -28.682
flat angles P-C4'-P energy: -20.836
tors. eta vs tors. theta energy: -46.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -428.145338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.145338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.145338 (E_RNA)
where:
Base-Base interactions energy: -302.471
where: short stacking energy: -130.014
Base-Backbone interact. energy: -0.366
local terms energy: -125.309115
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -29.123
flat angles C4'-P-C4' energy: -25.065
flat angles P-C4'-P energy: -15.224
tors. eta vs tors. theta energy: -37.910
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: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -426.114627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.114627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.114627 (E_RNA)
where:
Base-Base interactions energy: -301.263
where: short stacking energy: -126.428
Base-Backbone interact. energy: -0.138
local terms energy: -124.713648
where:
bonds (distance) C4'-P energy: -19.927
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -27.411
flat angles P-C4'-P energy: -19.472
tors. eta vs tors. theta energy: -40.699
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: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -343.970921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.970921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.970921 (E_RNA)
where:
Base-Base interactions energy: -237.499
where: short stacking energy: -87.106
Base-Backbone interact. energy: -1.737
local terms energy: -104.734832
where:
bonds (distance) C4'-P energy: -18.509
bonds (distance) P-C4' energy: -18.864
flat angles C4'-P-C4' energy: -25.780
flat angles P-C4'-P energy: -15.687
tors. eta vs tors. theta energy: -25.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -149.525709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.525709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.525709 (E_RNA)
where:
Base-Base interactions energy: -58.803
where: short stacking energy: -58.803
Base-Backbone interact. energy: -0.232
local terms energy: -90.490160
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -25.332
flat angles C4'-P-C4' energy: -22.058
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -6.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -137.574262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.574262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.574262 (E_RNA)
where:
Base-Base interactions energy: -51.857
where: short stacking energy: -49.044
Base-Backbone interact. energy: -0.260
local terms energy: -85.457452
where:
bonds (distance) C4'-P energy: -20.442
bonds (distance) P-C4' energy: -26.186
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -15.690
tors. eta vs tors. theta energy: -6.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -537.662791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.662791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.662791 (E_RNA)
where:
Base-Base interactions energy: -374.937
where: short stacking energy: -157.740
Base-Backbone interact. energy: -0.053
local terms energy: -162.672398
where:
bonds (distance) C4'-P energy: -25.289
bonds (distance) P-C4' energy: -31.828
flat angles C4'-P-C4' energy: -31.816
flat angles P-C4'-P energy: -23.188
tors. eta vs tors. theta energy: -50.552
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: 10
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -534.568045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.568045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.568045 (E_RNA)
where:
Base-Base interactions energy: -378.102
where: short stacking energy: -152.228
Base-Backbone interact. energy: 0.298
local terms energy: -156.763891
where:
bonds (distance) C4'-P energy: -25.190
bonds (distance) P-C4' energy: -32.870
flat angles C4'-P-C4' energy: -31.693
flat angles P-C4'-P energy: -22.222
tors. eta vs tors. theta energy: -44.788
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: 5
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -503.733490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.733490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.733490 (E_RNA)
where:
Base-Base interactions energy: -365.443
where: short stacking energy: -145.990
Base-Backbone interact. energy: 2.147
local terms energy: -140.437758
where:
bonds (distance) C4'-P energy: -21.344
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -28.092
flat angles P-C4'-P energy: -19.829
tors. eta vs tors. theta energy: -49.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -514.500073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.500073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.500073 (E_RNA)
where:
Base-Base interactions energy: -367.753
where: short stacking energy: -156.941
Base-Backbone interact. energy: -0.012
local terms energy: -146.734414
where:
bonds (distance) C4'-P energy: -25.821
bonds (distance) P-C4' energy: -29.426
flat angles C4'-P-C4' energy: -26.718
flat angles P-C4'-P energy: -20.191
tors. eta vs tors. theta energy: -44.579
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: 421
Temperature: 1.100000
Total energy: -499.897998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.897998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.897998 (E_RNA)
where:
Base-Base interactions energy: -357.719
where: short stacking energy: -147.467
Base-Backbone interact. energy: 1.049
local terms energy: -143.228446
where:
bonds (distance) C4'-P energy: -27.454
bonds (distance) P-C4' energy: -24.015
flat angles C4'-P-C4' energy: -30.254
flat angles P-C4'-P energy: -18.205
tors. eta vs tors. theta energy: -43.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -443.061397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.061397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.061397 (E_RNA)
where:
Base-Base interactions energy: -309.354
where: short stacking energy: -135.938
Base-Backbone interact. energy: 1.905
local terms energy: -135.612420
where:
bonds (distance) C4'-P energy: -25.345
bonds (distance) P-C4' energy: -29.896
flat angles C4'-P-C4' energy: -29.395
flat angles P-C4'-P energy: -13.742
tors. eta vs tors. theta energy: -37.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -422.642274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.642274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.642274 (E_RNA)
where:
Base-Base interactions energy: -284.176
where: short stacking energy: -116.917
Base-Backbone interact. energy: -0.091
local terms energy: -138.375911
where:
bonds (distance) C4'-P energy: -27.087
bonds (distance) P-C4' energy: -27.960
flat angles C4'-P-C4' energy: -29.243
flat angles P-C4'-P energy: -15.399
tors. eta vs tors. theta energy: -38.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -344.174784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.174784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.174784 (E_RNA)
where:
Base-Base interactions energy: -216.143
where: short stacking energy: -101.985
Base-Backbone interact. energy: -0.325
local terms energy: -127.707125
where:
bonds (distance) C4'-P energy: -20.329
bonds (distance) P-C4' energy: -29.001
flat angles C4'-P-C4' energy: -30.943
flat angles P-C4'-P energy: -18.983
tors. eta vs tors. theta energy: -28.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -148.405840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.405840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.405840 (E_RNA)
where:
Base-Base interactions energy: -61.667
where: short stacking energy: -48.868
Base-Backbone interact. energy: -0.473
local terms energy: -86.265919
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -25.928
flat angles C4'-P-C4' energy: -25.203
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -144.266846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.266846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.266846 (E_RNA)
where:
Base-Base interactions energy: -62.514
where: short stacking energy: -40.172
Base-Backbone interact. energy: -0.146
local terms energy: -81.606155
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -26.247
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -4.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -537.741529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.741529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.741529 (E_RNA)
where:
Base-Base interactions energy: -377.124
where: short stacking energy: -154.226
Base-Backbone interact. energy: -0.174
local terms energy: -160.444461
where:
bonds (distance) C4'-P energy: -27.556
bonds (distance) P-C4' energy: -30.476
flat angles C4'-P-C4' energy: -30.785
flat angles P-C4'-P energy: -22.928
tors. eta vs tors. theta energy: -48.699
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: 10
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -529.155644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.155644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.155644 (E_RNA)
where:
Base-Base interactions energy: -373.459
where: short stacking energy: -161.075
Base-Backbone interact. energy: -0.162
local terms energy: -155.534840
where:
bonds (distance) C4'-P energy: -31.679
bonds (distance) P-C4' energy: -26.771
flat angles C4'-P-C4' energy: -29.781
flat angles P-C4'-P energy: -20.977
tors. eta vs tors. theta energy: -46.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -510.288399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.288399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.288399 (E_RNA)
where:
Base-Base interactions energy: -363.715
where: short stacking energy: -151.407
Base-Backbone interact. energy: -0.003
local terms energy: -146.570610
where:
bonds (distance) C4'-P energy: -19.940
bonds (distance) P-C4' energy: -27.461
flat angles C4'-P-C4' energy: -26.782
flat angles P-C4'-P energy: -24.272
tors. eta vs tors. theta energy: -48.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -506.317389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.317389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.317389 (E_RNA)
where:
Base-Base interactions energy: -357.149
where: short stacking energy: -145.744
Base-Backbone interact. energy: -0.209
local terms energy: -148.959868
where:
bonds (distance) C4'-P energy: -28.147
bonds (distance) P-C4' energy: -27.891
flat angles C4'-P-C4' energy: -31.269
flat angles P-C4'-P energy: -16.365
tors. eta vs tors. theta energy: -45.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -499.480135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.480135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.480135 (E_RNA)
where:
Base-Base interactions energy: -355.673
where: short stacking energy: -136.422
Base-Backbone interact. energy: -0.048
local terms energy: -143.759752
where:
bonds (distance) C4'-P energy: -23.626
bonds (distance) P-C4' energy: -24.624
flat angles C4'-P-C4' energy: -27.542
flat angles P-C4'-P energy: -24.650
tors. eta vs tors. theta energy: -43.318
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: 6, replica: 6
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -436.121945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.121945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.121945 (E_RNA)
where:
Base-Base interactions energy: -301.484
where: short stacking energy: -132.612
Base-Backbone interact. energy: -0.097
local terms energy: -134.541100
where:
bonds (distance) C4'-P energy: -27.564
bonds (distance) P-C4' energy: -25.085
flat angles C4'-P-C4' energy: -31.290
flat angles P-C4'-P energy: -15.032
tors. eta vs tors. theta energy: -35.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -405.385525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.385525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.385525 (E_RNA)
where:
Base-Base interactions energy: -279.939
where: short stacking energy: -122.926
Base-Backbone interact. energy: -0.044
local terms energy: -125.403056
where:
bonds (distance) C4'-P energy: -26.025
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -24.592
flat angles P-C4'-P energy: -17.676
tors. eta vs tors. theta energy: -35.092
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: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -342.308000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.308000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.308000 (E_RNA)
where:
Base-Base interactions energy: -214.149
where: short stacking energy: -92.782
Base-Backbone interact. energy: -0.068
local terms energy: -128.090637
where:
bonds (distance) C4'-P energy: -25.705
bonds (distance) P-C4' energy: -28.964
flat angles C4'-P-C4' energy: -26.201
flat angles P-C4'-P energy: -23.153
tors. eta vs tors. theta energy: -24.068
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: 7
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -174.726578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.726578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.726578 (E_RNA)
where:
Base-Base interactions energy: -76.277
where: short stacking energy: -54.743
Base-Backbone interact. energy: -1.279
local terms energy: -97.171059
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -24.842
flat angles C4'-P-C4' energy: -22.195
flat angles P-C4'-P energy: -17.325
tors. eta vs tors. theta energy: -13.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -144.793408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.793408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.793408 (E_RNA)
where:
Base-Base interactions energy: -61.132
where: short stacking energy: -57.085
Base-Backbone interact. energy: -0.215
local terms energy: -83.445944
where:
bonds (distance) C4'-P energy: -27.178
bonds (distance) P-C4' energy: -19.014
flat angles C4'-P-C4' energy: -19.340
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -5.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -532.624816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.624816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.624816 (E_RNA)
where:
Base-Base interactions energy: -381.711
where: short stacking energy: -167.030
Base-Backbone interact. energy: -0.030
local terms energy: -150.884277
where:
bonds (distance) C4'-P energy: -23.547
bonds (distance) P-C4' energy: -29.908
flat angles C4'-P-C4' energy: -32.518
flat angles P-C4'-P energy: -16.171
tors. eta vs tors. theta energy: -48.740
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: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -533.753165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.753165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.753165 (E_RNA)
where:
Base-Base interactions energy: -375.564
where: short stacking energy: -160.466
Base-Backbone interact. energy: -0.160
local terms energy: -158.029583
where:
bonds (distance) C4'-P energy: -24.936
bonds (distance) P-C4' energy: -29.832
flat angles C4'-P-C4' energy: -33.871
flat angles P-C4'-P energy: -22.403
tors. eta vs tors. theta energy: -46.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -518.429539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.429539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.429539 (E_RNA)
where:
Base-Base interactions energy: -364.234
where: short stacking energy: -144.509
Base-Backbone interact. energy: -0.022
local terms energy: -154.173439
where:
bonds (distance) C4'-P energy: -26.374
bonds (distance) P-C4' energy: -26.723
flat angles C4'-P-C4' energy: -31.952
flat angles P-C4'-P energy: -21.928
tors. eta vs tors. theta energy: -47.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -511.234520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.234520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.234520 (E_RNA)
where:
Base-Base interactions energy: -368.557
where: short stacking energy: -156.644
Base-Backbone interact. energy: -0.210
local terms energy: -142.467280
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -28.583
flat angles P-C4'-P energy: -23.489
tors. eta vs tors. theta energy: -46.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -498.285980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.285980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.285980 (E_RNA)
where:
Base-Base interactions energy: -348.463
where: short stacking energy: -144.620
Base-Backbone interact. energy: -0.545
local terms energy: -149.277365
where:
bonds (distance) C4'-P energy: -23.697
bonds (distance) P-C4' energy: -27.171
flat angles C4'-P-C4' energy: -32.483
flat angles P-C4'-P energy: -17.830
tors. eta vs tors. theta energy: -48.095
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: 6
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -434.436576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.436576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.436576 (E_RNA)
where:
Base-Base interactions energy: -289.421
where: short stacking energy: -134.049
Base-Backbone interact. energy: -0.631
local terms energy: -144.384795
where:
bonds (distance) C4'-P energy: -26.869
bonds (distance) P-C4' energy: -27.438
flat angles C4'-P-C4' energy: -32.548
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -42.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -394.532537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.532537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.532537 (E_RNA)
where:
Base-Base interactions energy: -274.288
where: short stacking energy: -122.706
Base-Backbone interact. energy: -0.685
local terms energy: -119.559983
where:
bonds (distance) C4'-P energy: -24.189
bonds (distance) P-C4' energy: -20.128
flat angles C4'-P-C4' energy: -28.470
flat angles P-C4'-P energy: -17.935
tors. eta vs tors. theta energy: -28.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -340.588134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.588134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.588134 (E_RNA)
where:
Base-Base interactions energy: -224.820
where: short stacking energy: -109.776
Base-Backbone interact. energy: 0.756
local terms energy: -116.524033
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -29.239
flat angles C4'-P-C4' energy: -22.962
flat angles P-C4'-P energy: -19.234
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: 9, replica: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -160.748054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.748054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.748054 (E_RNA)
where:
Base-Base interactions energy: -60.913
where: short stacking energy: -60.913
Base-Backbone interact. energy: -0.014
local terms energy: -99.821456
where:
bonds (distance) C4'-P energy: -31.628
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -25.086
flat angles P-C4'-P energy: -15.393
tors. eta vs tors. theta energy: -10.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -137.683659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.683659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.683659 (E_RNA)
where:
Base-Base interactions energy: -54.478
where: short stacking energy: -44.952
Base-Backbone interact. energy: 1.253
local terms energy: -84.458530
where:
bonds (distance) C4'-P energy: -22.578
bonds (distance) P-C4' energy: -24.329
flat angles C4'-P-C4' energy: -27.665
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: 0.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -538.914388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.914388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.914388 (E_RNA)
where:
Base-Base interactions energy: -374.241
where: short stacking energy: -152.575
Base-Backbone interact. energy: -0.423
local terms energy: -164.250684
where:
bonds (distance) C4'-P energy: -31.269
bonds (distance) P-C4' energy: -28.462
flat angles C4'-P-C4' energy: -31.887
flat angles P-C4'-P energy: -23.107
tors. eta vs tors. theta energy: -49.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -527.074451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.074451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.074451 (E_RNA)
where:
Base-Base interactions energy: -370.404
where: short stacking energy: -157.686
Base-Backbone interact. energy: -0.047
local terms energy: -156.623550
where:
bonds (distance) C4'-P energy: -25.781
bonds (distance) P-C4' energy: -33.480
flat angles C4'-P-C4' energy: -29.618
flat angles P-C4'-P energy: -21.533
tors. eta vs tors. theta energy: -46.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -516.655424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.655424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.655424 (E_RNA)
where:
Base-Base interactions energy: -360.691
where: short stacking energy: -154.606
Base-Backbone interact. energy: -0.047
local terms energy: -155.917351
where:
bonds (distance) C4'-P energy: -29.720
bonds (distance) P-C4' energy: -25.660
flat angles C4'-P-C4' energy: -32.090
flat angles P-C4'-P energy: -23.055
tors. eta vs tors. theta energy: -45.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -509.180275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.180275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.180275 (E_RNA)
where:
Base-Base interactions energy: -370.287
where: short stacking energy: -154.928
Base-Backbone interact. energy: -1.338
local terms energy: -137.555489
where:
bonds (distance) C4'-P energy: -19.517
bonds (distance) P-C4' energy: -28.076
flat angles C4'-P-C4' energy: -23.860
flat angles P-C4'-P energy: -22.060
tors. eta vs tors. theta energy: -44.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -455.920243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.920243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.920243 (E_RNA)
where:
Base-Base interactions energy: -312.268
where: short stacking energy: -133.324
Base-Backbone interact. energy: -0.645
local terms energy: -143.007120
where:
bonds (distance) C4'-P energy: -24.993
bonds (distance) P-C4' energy: -27.785
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -21.972
tors. eta vs tors. theta energy: -44.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -488.979270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.979270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.979270 (E_RNA)
where:
Base-Base interactions energy: -339.573
where: short stacking energy: -147.848
Base-Backbone interact. energy: -0.494
local terms energy: -148.912326
where:
bonds (distance) C4'-P energy: -23.753
bonds (distance) P-C4' energy: -26.352
flat angles C4'-P-C4' energy: -30.160
flat angles P-C4'-P energy: -19.458
tors. eta vs tors. theta energy: -49.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -353.764973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.764973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.764973 (E_RNA)
where:
Base-Base interactions energy: -238.841
where: short stacking energy: -107.103
Base-Backbone interact. energy: -0.618
local terms energy: -114.306205
where:
bonds (distance) C4'-P energy: -24.488
bonds (distance) P-C4' energy: -23.366
flat angles C4'-P-C4' energy: -27.002
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -23.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -386.431634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.431634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.431634 (E_RNA)
where:
Base-Base interactions energy: -267.144
where: short stacking energy: -115.579
Base-Backbone interact. energy: -0.095
local terms energy: -119.193020
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -27.012
flat angles C4'-P-C4' energy: -26.034
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -34.764
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: 1
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -144.389848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.389848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.389848 (E_RNA)
where:
Base-Base interactions energy: -45.659
where: short stacking energy: -45.659
Base-Backbone interact. energy: -0.368
local terms energy: -98.362724
where:
bonds (distance) C4'-P energy: -30.268
bonds (distance) P-C4' energy: -26.623
flat angles C4'-P-C4' energy: -22.187
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -133.548126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.548126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.548126 (E_RNA)
where:
Base-Base interactions energy: -45.941
where: short stacking energy: -44.561
Base-Backbone interact. energy: 0.467
local terms energy: -88.073864
where:
bonds (distance) C4'-P energy: -28.744
bonds (distance) P-C4' energy: -25.354
flat angles C4'-P-C4' energy: -21.713
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -1.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -539.016114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.016114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.016114 (E_RNA)
where:
Base-Base interactions energy: -384.532
where: short stacking energy: -160.751
Base-Backbone interact. energy: -0.628
local terms energy: -153.856099
where:
bonds (distance) C4'-P energy: -26.191
bonds (distance) P-C4' energy: -32.854
flat angles C4'-P-C4' energy: -33.769
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -49.748
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: 9
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -523.712539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.712539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.712539 (E_RNA)
where:
Base-Base interactions energy: -372.574
where: short stacking energy: -146.289
Base-Backbone interact. energy: -0.486
local terms energy: -150.652725
where:
bonds (distance) C4'-P energy: -29.032
bonds (distance) P-C4' energy: -26.064
flat angles C4'-P-C4' energy: -30.136
flat angles P-C4'-P energy: -20.089
tors. eta vs tors. theta energy: -45.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -521.479652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.479652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.479652 (E_RNA)
where:
Base-Base interactions energy: -370.654
where: short stacking energy: -152.931
Base-Backbone interact. energy: -0.101
local terms energy: -150.724646
where:
bonds (distance) C4'-P energy: -22.944
bonds (distance) P-C4' energy: -30.152
flat angles C4'-P-C4' energy: -34.731
flat angles P-C4'-P energy: -23.675
tors. eta vs tors. theta energy: -39.223
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: 425
Temperature: 1.050000
Total energy: -507.902660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.902660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.902660 (E_RNA)
where:
Base-Base interactions energy: -364.491
where: short stacking energy: -156.529
Base-Backbone interact. energy: -0.057
local terms energy: -143.354541
where:
bonds (distance) C4'-P energy: -24.819
bonds (distance) P-C4' energy: -22.089
flat angles C4'-P-C4' energy: -26.610
flat angles P-C4'-P energy: -20.254
tors. eta vs tors. theta energy: -49.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -442.972478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.972478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.972478 (E_RNA)
where:
Base-Base interactions energy: -303.238
where: short stacking energy: -133.734
Base-Backbone interact. energy: -0.793
local terms energy: -138.941238
where:
bonds (distance) C4'-P energy: -21.453
bonds (distance) P-C4' energy: -25.956
flat angles C4'-P-C4' energy: -30.469
flat angles P-C4'-P energy: -21.710
tors. eta vs tors. theta energy: -39.353
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: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -471.495734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.495734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.495734 (E_RNA)
where:
Base-Base interactions energy: -326.534
where: short stacking energy: -148.484
Base-Backbone interact. energy: 2.223
local terms energy: -147.184608
where:
bonds (distance) C4'-P energy: -19.072
bonds (distance) P-C4' energy: -30.383
flat angles C4'-P-C4' energy: -31.099
flat angles P-C4'-P energy: -23.444
tors. eta vs tors. theta energy: -43.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -356.772843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.772843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.772843 (E_RNA)
where:
Base-Base interactions energy: -241.892
where: short stacking energy: -100.162
Base-Backbone interact. energy: -0.676
local terms energy: -114.205665
where:
bonds (distance) C4'-P energy: -27.037
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -25.380
flat angles P-C4'-P energy: -18.897
tors. eta vs tors. theta energy: -19.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -389.094121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.094121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.094121 (E_RNA)
where:
Base-Base interactions energy: -272.070
where: short stacking energy: -116.465
Base-Backbone interact. energy: -0.065
local terms energy: -116.959707
where:
bonds (distance) C4'-P energy: -23.269
bonds (distance) P-C4' energy: -25.339
flat angles C4'-P-C4' energy: -26.582
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -27.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -153.152544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.152544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.152544 (E_RNA)
where:
Base-Base interactions energy: -70.021
where: short stacking energy: -55.880
Base-Backbone interact. energy: -0.694
local terms energy: -82.437898
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -24.416
flat angles C4'-P-C4' energy: -25.452
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -8.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -139.358293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.358293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.358293 (E_RNA)
where:
Base-Base interactions energy: -58.056
where: short stacking energy: -30.571
Base-Backbone interact. energy: -1.943
local terms energy: -79.359630
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -24.695
flat angles C4'-P-C4' energy: -22.178
flat angles P-C4'-P energy: -21.399
tors. eta vs tors. theta energy: 5.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -533.717297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.717297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.717297 (E_RNA)
where:
Base-Base interactions energy: -372.167
where: short stacking energy: -156.814
Base-Backbone interact. energy: -0.076
local terms energy: -161.474645
where:
bonds (distance) C4'-P energy: -27.247
bonds (distance) P-C4' energy: -32.453
flat angles C4'-P-C4' energy: -31.259
flat angles P-C4'-P energy: -22.113
tors. eta vs tors. theta energy: -48.403
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: 9
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -521.419034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.419034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.419034 (E_RNA)
where:
Base-Base interactions energy: -376.481
where: short stacking energy: -148.586
Base-Backbone interact. energy: -0.084
local terms energy: -144.853466
where:
bonds (distance) C4'-P energy: -28.461
bonds (distance) P-C4' energy: -26.792
flat angles C4'-P-C4' energy: -26.164
flat angles P-C4'-P energy: -20.547
tors. eta vs tors. theta energy: -42.889
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: 3, replica: 8
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -514.381539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.381539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.381539 (E_RNA)
where:
Base-Base interactions energy: -368.078
where: short stacking energy: -136.456
Base-Backbone interact. energy: -0.327
local terms energy: -145.976563
where:
bonds (distance) C4'-P energy: -26.289
bonds (distance) P-C4' energy: -28.279
flat angles C4'-P-C4' energy: -31.650
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -39.519
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: 10
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -515.216216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.216216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.216216 (E_RNA)
where:
Base-Base interactions energy: -360.121
where: short stacking energy: -148.516
Base-Backbone interact. energy: -0.004
local terms energy: -155.090488
where:
bonds (distance) C4'-P energy: -28.422
bonds (distance) P-C4' energy: -25.183
flat angles C4'-P-C4' energy: -33.638
flat angles P-C4'-P energy: -20.343
tors. eta vs tors. theta energy: -47.505
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: 426
Temperature: 1.100000
Total energy: -450.877318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.877318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.877318 (E_RNA)
where:
Base-Base interactions energy: -317.807
where: short stacking energy: -134.307
Base-Backbone interact. energy: -0.102
local terms energy: -132.968094
where:
bonds (distance) C4'-P energy: -23.573
bonds (distance) P-C4' energy: -25.062
flat angles C4'-P-C4' energy: -27.563
flat angles P-C4'-P energy: -20.473
tors. eta vs tors. theta energy: -36.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -484.935283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.935283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.935283 (E_RNA)
where:
Base-Base interactions energy: -343.566
where: short stacking energy: -152.786
Base-Backbone interact. energy: 1.398
local terms energy: -142.766947
where:
bonds (distance) C4'-P energy: -24.353
bonds (distance) P-C4' energy: -24.361
flat angles C4'-P-C4' energy: -31.468
flat angles P-C4'-P energy: -17.047
tors. eta vs tors. theta energy: -45.538
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: 3
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -393.959054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.959054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.959054 (E_RNA)
where:
Base-Base interactions energy: -279.468
where: short stacking energy: -121.042
Base-Backbone interact. energy: -0.273
local terms energy: -114.218646
where:
bonds (distance) C4'-P energy: -26.378
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -18.655
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -34.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -329.365686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.365686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.365686 (E_RNA)
where:
Base-Base interactions energy: -214.042
where: short stacking energy: -93.657
Base-Backbone interact. energy: -0.770
local terms energy: -114.553540
where:
bonds (distance) C4'-P energy: -28.255
bonds (distance) P-C4' energy: -22.015
flat angles C4'-P-C4' energy: -28.039
flat angles P-C4'-P energy: -21.043
tors. eta vs tors. theta energy: -15.201
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: 1
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -123.403394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.403394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.403394 (E_RNA)
where:
Base-Base interactions energy: -38.973
where: short stacking energy: -36.674
Base-Backbone interact. energy: -0.617
local terms energy: -83.814303
where:
bonds (distance) C4'-P energy: -26.807
bonds (distance) P-C4' energy: -27.108
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: 1.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -132.379185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.379185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.379185 (E_RNA)
where:
Base-Base interactions energy: -52.311
where: short stacking energy: -44.180
Base-Backbone interact. energy: -0.010
local terms energy: -80.057914
where:
bonds (distance) C4'-P energy: -26.067
bonds (distance) P-C4' energy: -28.151
flat angles C4'-P-C4' energy: -5.116
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -7.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -531.843520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.843520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.843520 (E_RNA)
where:
Base-Base interactions energy: -376.897
where: short stacking energy: -156.180
Base-Backbone interact. energy: -0.039
local terms energy: -154.907240
where:
bonds (distance) C4'-P energy: -27.163
bonds (distance) P-C4' energy: -29.187
flat angles C4'-P-C4' energy: -29.651
flat angles P-C4'-P energy: -22.465
tors. eta vs tors. theta energy: -46.441
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: 8
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -522.474205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.474205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.474205 (E_RNA)
where:
Base-Base interactions energy: -369.468
where: short stacking energy: -147.604
Base-Backbone interact. energy: -0.419
local terms energy: -152.587496
where:
bonds (distance) C4'-P energy: -22.658
bonds (distance) P-C4' energy: -25.435
flat angles C4'-P-C4' energy: -35.225
flat angles P-C4'-P energy: -24.228
tors. eta vs tors. theta energy: -45.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -519.957408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.957408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.957408 (E_RNA)
where:
Base-Base interactions energy: -373.541
where: short stacking energy: -157.155
Base-Backbone interact. energy: -0.070
local terms energy: -146.346720
where:
bonds (distance) C4'-P energy: -23.060
bonds (distance) P-C4' energy: -30.617
flat angles C4'-P-C4' energy: -28.399
flat angles P-C4'-P energy: -21.240
tors. eta vs tors. theta energy: -43.032
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: 10
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -513.863530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.863530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.863530 (E_RNA)
where:
Base-Base interactions energy: -361.969
where: short stacking energy: -152.013
Base-Backbone interact. energy: -0.014
local terms energy: -151.881290
where:
bonds (distance) C4'-P energy: -28.566
bonds (distance) P-C4' energy: -28.937
flat angles C4'-P-C4' energy: -26.783
flat angles P-C4'-P energy: -21.764
tors. eta vs tors. theta energy: -45.831
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: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -448.218633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.218633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.218633 (E_RNA)
where:
Base-Base interactions energy: -306.134
where: short stacking energy: -129.917
Base-Backbone interact. energy: -0.080
local terms energy: -142.004734
where:
bonds (distance) C4'-P energy: -25.456
bonds (distance) P-C4' energy: -25.689
flat angles C4'-P-C4' energy: -30.925
flat angles P-C4'-P energy: -25.027
tors. eta vs tors. theta energy: -34.908
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: 3
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -424.172699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.172699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.172699 (E_RNA)
where:
Base-Base interactions energy: -288.087
where: short stacking energy: -137.919
Base-Backbone interact. energy: -0.135
local terms energy: -135.951096
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -34.137
flat angles P-C4'-P energy: -20.959
tors. eta vs tors. theta energy: -37.360
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: 427
Temperature: 1.200000
Total energy: -450.660778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.660778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.660778 (E_RNA)
where:
Base-Base interactions energy: -314.612
where: short stacking energy: -135.908
Base-Backbone interact. energy: -0.344
local terms energy: -135.705126
where:
bonds (distance) C4'-P energy: -18.221
bonds (distance) P-C4' energy: -24.898
flat angles C4'-P-C4' energy: -28.991
flat angles P-C4'-P energy: -22.608
tors. eta vs tors. theta energy: -40.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -322.218890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.218890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.218890 (E_RNA)
where:
Base-Base interactions energy: -213.208
where: short stacking energy: -82.696
Base-Backbone interact. energy: 1.429
local terms energy: -110.440196
where:
bonds (distance) C4'-P energy: -20.875
bonds (distance) P-C4' energy: -32.096
flat angles C4'-P-C4' energy: -20.331
flat angles P-C4'-P energy: -18.025
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: 9, replica: 1
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -141.751603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.751603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.751603 (E_RNA)
where:
Base-Base interactions energy: -61.059
where: short stacking energy: -56.001
Base-Backbone interact. energy: -0.472
local terms energy: -80.220460
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -19.053
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -5.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -184.484636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.484636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.484636 (E_RNA)
where:
Base-Base interactions energy: -98.784
where: short stacking energy: -51.290
Base-Backbone interact. energy: -0.539
local terms energy: -85.161987
where:
bonds (distance) C4'-P energy: -18.679
bonds (distance) P-C4' energy: -28.614
flat angles C4'-P-C4' energy: -26.397
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -531.501934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.501934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.501934 (E_RNA)
where:
Base-Base interactions energy: -377.752
where: short stacking energy: -162.984
Base-Backbone interact. energy: -0.025
local terms energy: -153.724826
where:
bonds (distance) C4'-P energy: -27.998
bonds (distance) P-C4' energy: -24.728
flat angles C4'-P-C4' energy: -31.702
flat angles P-C4'-P energy: -23.770
tors. eta vs tors. theta energy: -45.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -527.062140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.062140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.062140 (E_RNA)
where:
Base-Base interactions energy: -367.096
where: short stacking energy: -154.473
Base-Backbone interact. energy: -0.016
local terms energy: -159.950108
where:
bonds (distance) C4'-P energy: -25.364
bonds (distance) P-C4' energy: -30.094
flat angles C4'-P-C4' energy: -33.177
flat angles P-C4'-P energy: -25.019
tors. eta vs tors. theta energy: -46.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -519.412244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.412244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.412244 (E_RNA)
where:
Base-Base interactions energy: -372.788
where: short stacking energy: -144.123
Base-Backbone interact. energy: -0.181
local terms energy: -146.443307
where:
bonds (distance) C4'-P energy: -27.454
bonds (distance) P-C4' energy: -25.490
flat angles C4'-P-C4' energy: -28.820
flat angles P-C4'-P energy: -17.271
tors. eta vs tors. theta energy: -47.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -511.772579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.772579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.772579 (E_RNA)
where:
Base-Base interactions energy: -373.707
where: short stacking energy: -155.431
Base-Backbone interact. energy: -0.054
local terms energy: -138.011883
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -24.782
flat angles C4'-P-C4' energy: -31.652
flat angles P-C4'-P energy: -15.473
tors. eta vs tors. theta energy: -46.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -451.486104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.486104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.486104 (E_RNA)
where:
Base-Base interactions energy: -319.052
where: short stacking energy: -135.615
Base-Backbone interact. energy: -0.045
local terms energy: -132.388579
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -24.713
flat angles C4'-P-C4' energy: -26.034
flat angles P-C4'-P energy: -21.912
tors. eta vs tors. theta energy: -37.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -429.888846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.888846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.888846 (E_RNA)
where:
Base-Base interactions energy: -295.341
where: short stacking energy: -130.226
Base-Backbone interact. energy: -0.599
local terms energy: -133.948141
where:
bonds (distance) C4'-P energy: -25.121
bonds (distance) P-C4' energy: -20.685
flat angles C4'-P-C4' energy: -29.193
flat angles P-C4'-P energy: -20.574
tors. eta vs tors. theta energy: -38.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -484.252648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.252648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.252648 (E_RNA)
where:
Base-Base interactions energy: -339.625
where: short stacking energy: -146.268
Base-Backbone interact. energy: -0.007
local terms energy: -144.621260
where:
bonds (distance) C4'-P energy: -28.630
bonds (distance) P-C4' energy: -24.741
flat angles C4'-P-C4' energy: -26.612
flat angles P-C4'-P energy: -19.325
tors. eta vs tors. theta energy: -45.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -359.451692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.451692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.451692 (E_RNA)
where:
Base-Base interactions energy: -227.468
where: short stacking energy: -110.559
Base-Backbone interact. energy: 0.417
local terms energy: -132.400240
where:
bonds (distance) C4'-P energy: -28.588
bonds (distance) P-C4' energy: -31.640
flat angles C4'-P-C4' energy: -26.657
flat angles P-C4'-P energy: -16.792
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: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -150.455408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.455408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.455408 (E_RNA)
where:
Base-Base interactions energy: -65.764
where: short stacking energy: -38.666
Base-Backbone interact. energy: -0.224
local terms energy: -84.467207
where:
bonds (distance) C4'-P energy: -24.632
bonds (distance) P-C4' energy: -25.881
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -14.179
tors. eta vs tors. theta energy: 0.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -131.098922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.098922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.098922 (E_RNA)
where:
Base-Base interactions energy: -45.190
where: short stacking energy: -39.412
Base-Backbone interact. energy: -0.254
local terms energy: -85.654667
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -24.794
flat angles C4'-P-C4' energy: -27.623
flat angles P-C4'-P energy: -17.804
tors. eta vs tors. theta energy: -1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -537.280523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.280523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.280523 (E_RNA)
where:
Base-Base interactions energy: -382.036
where: short stacking energy: -162.072
Base-Backbone interact. energy: -0.345
local terms energy: -154.899843
where:
bonds (distance) C4'-P energy: -28.750
bonds (distance) P-C4' energy: -29.341
flat angles C4'-P-C4' energy: -29.617
flat angles P-C4'-P energy: -20.085
tors. eta vs tors. theta energy: -47.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -532.872793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.872793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.872793 (E_RNA)
where:
Base-Base interactions energy: -370.087
where: short stacking energy: -144.564
Base-Backbone interact. energy: -1.013
local terms energy: -161.773188
where:
bonds (distance) C4'-P energy: -30.776
bonds (distance) P-C4' energy: -28.381
flat angles C4'-P-C4' energy: -34.399
flat angles P-C4'-P energy: -21.814
tors. eta vs tors. theta energy: -46.404
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: 8
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -525.308395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.308395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.308395 (E_RNA)
where:
Base-Base interactions energy: -367.475
where: short stacking energy: -153.042
Base-Backbone interact. energy: -0.046
local terms energy: -157.786877
where:
bonds (distance) C4'-P energy: -28.810
bonds (distance) P-C4' energy: -28.505
flat angles C4'-P-C4' energy: -33.649
flat angles P-C4'-P energy: -20.394
tors. eta vs tors. theta energy: -46.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -508.374560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.374560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.374560 (E_RNA)
where:
Base-Base interactions energy: -358.561
where: short stacking energy: -154.997
Base-Backbone interact. energy: -0.124
local terms energy: -149.689717
where:
bonds (distance) C4'-P energy: -20.651
bonds (distance) P-C4' energy: -30.067
flat angles C4'-P-C4' energy: -30.344
flat angles P-C4'-P energy: -18.058
tors. eta vs tors. theta energy: -50.570
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: 429
Temperature: 1.100000
Total energy: -452.946455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.946455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.946455 (E_RNA)
where:
Base-Base interactions energy: -313.503
where: short stacking energy: -124.755
Base-Backbone interact. energy: -0.248
local terms energy: -139.195674
where:
bonds (distance) C4'-P energy: -26.810
bonds (distance) P-C4' energy: -27.012
flat angles C4'-P-C4' energy: -28.994
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: -40.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -481.299378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.299378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.299378 (E_RNA)
where:
Base-Base interactions energy: -335.977
where: short stacking energy: -142.883
Base-Backbone interact. energy: -0.007
local terms energy: -145.315117
where:
bonds (distance) C4'-P energy: -23.025
bonds (distance) P-C4' energy: -20.161
flat angles C4'-P-C4' energy: -33.884
flat angles P-C4'-P energy: -21.816
tors. eta vs tors. theta energy: -46.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -442.604232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.604232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.604232 (E_RNA)
where:
Base-Base interactions energy: -302.625
where: short stacking energy: -127.241
Base-Backbone interact. energy: -0.345
local terms energy: -139.633953
where:
bonds (distance) C4'-P energy: -28.706
bonds (distance) P-C4' energy: -29.001
flat angles C4'-P-C4' energy: -21.980
flat angles P-C4'-P energy: -23.052
tors. eta vs tors. theta energy: -36.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -327.920394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.920394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.920394 (E_RNA)
where:
Base-Base interactions energy: -215.181
where: short stacking energy: -85.242
Base-Backbone interact. energy: 0.910
local terms energy: -113.649014
where:
bonds (distance) C4'-P energy: -23.344
bonds (distance) P-C4' energy: -30.197
flat angles C4'-P-C4' energy: -27.864
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -20.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -140.977047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.977047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.977047 (E_RNA)
where:
Base-Base interactions energy: -59.961
where: short stacking energy: -50.113
Base-Backbone interact. energy: -0.458
local terms energy: -80.557841
where:
bonds (distance) C4'-P energy: -22.578
bonds (distance) P-C4' energy: -24.354
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -6.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -129.098924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.098924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.098924 (E_RNA)
where:
Base-Base interactions energy: -58.978
where: short stacking energy: -43.888
Base-Backbone interact. energy: -0.495
local terms energy: -69.626720
where:
bonds (distance) C4'-P energy: -23.871
bonds (distance) P-C4' energy: -27.910
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: 7.819
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: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -534.745021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.745021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.745021 (E_RNA)
where:
Base-Base interactions energy: -375.576
where: short stacking energy: -145.992
Base-Backbone interact. energy: -0.187
local terms energy: -158.982551
where:
bonds (distance) C4'-P energy: -28.772
bonds (distance) P-C4' energy: -27.625
flat angles C4'-P-C4' energy: -33.606
flat angles P-C4'-P energy: -26.887
tors. eta vs tors. theta energy: -42.092
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: 10
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -525.212264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.212264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.212264 (E_RNA)
where:
Base-Base interactions energy: -369.100
where: short stacking energy: -152.575
Base-Backbone interact. energy: -0.081
local terms energy: -156.031045
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -31.883
flat angles C4'-P-C4' energy: -32.887
flat angles P-C4'-P energy: -22.788
tors. eta vs tors. theta energy: -46.954
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: 3, replica: 8
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -523.262731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.262731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.262731 (E_RNA)
where:
Base-Base interactions energy: -365.155
where: short stacking energy: -148.823
Base-Backbone interact. energy: -0.138
local terms energy: -157.968909
where:
bonds (distance) C4'-P energy: -27.580
bonds (distance) P-C4' energy: -29.584
flat angles C4'-P-C4' energy: -29.628
flat angles P-C4'-P energy: -24.279
tors. eta vs tors. theta energy: -46.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -509.018751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.018751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.018751 (E_RNA)
where:
Base-Base interactions energy: -357.269
where: short stacking energy: -156.345
Base-Backbone interact. energy: -0.045
local terms energy: -151.704816
where:
bonds (distance) C4'-P energy: -27.196
bonds (distance) P-C4' energy: -26.652
flat angles C4'-P-C4' energy: -30.977
flat angles P-C4'-P energy: -20.547
tors. eta vs tors. theta energy: -46.332
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: 430
Temperature: 1.100000
Total energy: -490.582017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.582017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.582017 (E_RNA)
where:
Base-Base interactions energy: -336.038
where: short stacking energy: -146.593
Base-Backbone interact. energy: -0.258
local terms energy: -154.286276
where:
bonds (distance) C4'-P energy: -29.663
bonds (distance) P-C4' energy: -23.484
flat angles C4'-P-C4' energy: -31.298
flat angles P-C4'-P energy: -21.537
tors. eta vs tors. theta energy: -48.304
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: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -447.893129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.893129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.893129 (E_RNA)
where:
Base-Base interactions energy: -312.495
where: short stacking energy: -138.090
Base-Backbone interact. energy: -0.053
local terms energy: -135.345842
where:
bonds (distance) C4'-P energy: -19.902
bonds (distance) P-C4' energy: -28.473
flat angles C4'-P-C4' energy: -30.371
flat angles P-C4'-P energy: -18.956
tors. eta vs tors. theta energy: -37.643
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: 3
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -399.116017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.116017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.116017 (E_RNA)
where:
Base-Base interactions energy: -267.792
where: short stacking energy: -121.846
Base-Backbone interact. energy: -0.148
local terms energy: -131.175321
where:
bonds (distance) C4'-P energy: -20.073
bonds (distance) P-C4' energy: -24.386
flat angles C4'-P-C4' energy: -29.163
flat angles P-C4'-P energy: -25.426
tors. eta vs tors. theta energy: -32.128
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: 8, replica: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -328.029740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.029740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.029740 (E_RNA)
where:
Base-Base interactions energy: -203.482
where: short stacking energy: -90.399
Base-Backbone interact. energy: -0.242
local terms energy: -124.305734
where:
bonds (distance) C4'-P energy: -26.504
bonds (distance) P-C4' energy: -25.751
flat angles C4'-P-C4' energy: -27.771
flat angles P-C4'-P energy: -18.437
tors. eta vs tors. theta energy: -25.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -147.622730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.622730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.622730 (E_RNA)
where:
Base-Base interactions energy: -75.071
where: short stacking energy: -60.404
Base-Backbone interact. energy: 0.046
local terms energy: -72.597526
where:
bonds (distance) C4'-P energy: -23.869
bonds (distance) P-C4' energy: -22.460
flat angles C4'-P-C4' energy: -21.268
flat angles P-C4'-P energy: -2.373
tors. eta vs tors. theta energy: -2.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -133.868488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.868488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.868488 (E_RNA)
where:
Base-Base interactions energy: -49.343
where: short stacking energy: -49.543
Base-Backbone interact. energy: -0.177
local terms energy: -84.348954
where:
bonds (distance) C4'-P energy: -24.935
bonds (distance) P-C4' energy: -26.336
flat angles C4'-P-C4' energy: -19.448
flat angles P-C4'-P energy: -12.311
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: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -543.757956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.757956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.757956 (E_RNA)
where:
Base-Base interactions energy: -381.788
where: short stacking energy: -154.226
Base-Backbone interact. energy: -0.695
local terms energy: -161.274057
where:
bonds (distance) C4'-P energy: -25.801
bonds (distance) P-C4' energy: -28.641
flat angles C4'-P-C4' energy: -30.931
flat angles P-C4'-P energy: -27.744
tors. eta vs tors. theta energy: -48.157
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: 8
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -533.980560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.980560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.980560 (E_RNA)
where:
Base-Base interactions energy: -370.939
where: short stacking energy: -155.218
Base-Backbone interact. energy: 0.101
local terms energy: -163.141852
where:
bonds (distance) C4'-P energy: -32.441
bonds (distance) P-C4' energy: -31.739
flat angles C4'-P-C4' energy: -32.565
flat angles P-C4'-P energy: -20.000
tors. eta vs tors. theta energy: -46.396
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: 10
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -521.979676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.979676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.979676 (E_RNA)
where:
Base-Base interactions energy: -359.668
where: short stacking energy: -154.446
Base-Backbone interact. energy: -0.077
local terms energy: -162.234273
where:
bonds (distance) C4'-P energy: -28.747
bonds (distance) P-C4' energy: -33.322
flat angles C4'-P-C4' energy: -33.396
flat angles P-C4'-P energy: -18.915
tors. eta vs tors. theta energy: -47.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -508.335888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.335888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.335888 (E_RNA)
where:
Base-Base interactions energy: -367.677
where: short stacking energy: -159.043
Base-Backbone interact. energy: -0.822
local terms energy: -139.836494
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -11.481
flat angles C4'-P-C4' energy: -35.415
flat angles P-C4'-P energy: -25.766
tors. eta vs tors. theta energy: -50.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -473.981607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.981607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.981607 (E_RNA)
where:
Base-Base interactions energy: -327.678
where: short stacking energy: -142.957
Base-Backbone interact. energy: -0.709
local terms energy: -145.594586
where:
bonds (distance) C4'-P energy: -29.386
bonds (distance) P-C4' energy: -25.404
flat angles C4'-P-C4' energy: -32.297
flat angles P-C4'-P energy: -19.473
tors. eta vs tors. theta energy: -39.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -421.012925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.012925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.012925 (E_RNA)
where:
Base-Base interactions energy: -294.507
where: short stacking energy: -125.700
Base-Backbone interact. energy: -0.412
local terms energy: -126.094588
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -27.050
flat angles C4'-P-C4' energy: -32.516
flat angles P-C4'-P energy: -14.745
tors. eta vs tors. theta energy: -34.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -408.899773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.899773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.899773 (E_RNA)
where:
Base-Base interactions energy: -283.835
where: short stacking energy: -123.638
Base-Backbone interact. energy: -0.042
local terms energy: -125.023520
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -24.778
flat angles C4'-P-C4' energy: -27.055
flat angles P-C4'-P energy: -18.497
tors. eta vs tors. theta energy: -36.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -328.439799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.439799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.439799 (E_RNA)
where:
Base-Base interactions energy: -215.750
where: short stacking energy: -105.114
Base-Backbone interact. energy: -0.386
local terms energy: -112.303460
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -26.465
flat angles C4'-P-C4' energy: -27.440
flat angles P-C4'-P energy: -21.798
tors. eta vs tors. theta energy: -22.700
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: 1
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -159.021769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.021769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.021769 (E_RNA)
where:
Base-Base interactions energy: -74.781
where: short stacking energy: -60.147
Base-Backbone interact. energy: -0.297
local terms energy: -83.943760
where:
bonds (distance) C4'-P energy: -22.648
bonds (distance) P-C4' energy: -20.417
flat angles C4'-P-C4' energy: -20.459
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -6.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -124.315593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.315593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.315593 (E_RNA)
where:
Base-Base interactions energy: -48.147
where: short stacking energy: -43.484
Base-Backbone interact. energy: 4.228
local terms energy: -80.396531
where:
bonds (distance) C4'-P energy: -22.805
bonds (distance) P-C4' energy: -24.999
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -15.422
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: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -534.473863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.473863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.473863 (E_RNA)
where:
Base-Base interactions energy: -375.696
where: short stacking energy: -157.706
Base-Backbone interact. energy: 0.382
local terms energy: -159.160023
where:
bonds (distance) C4'-P energy: -29.361
bonds (distance) P-C4' energy: -26.440
flat angles C4'-P-C4' energy: -30.939
flat angles P-C4'-P energy: -25.769
tors. eta vs tors. theta energy: -46.650
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: 2, replica: 8
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -527.801782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.801782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.801782 (E_RNA)
where:
Base-Base interactions energy: -378.062
where: short stacking energy: -160.311
Base-Backbone interact. energy: -0.868
local terms energy: -148.872500
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -25.630
flat angles C4'-P-C4' energy: -32.547
flat angles P-C4'-P energy: -22.530
tors. eta vs tors. theta energy: -45.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -523.163015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.163015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.163015 (E_RNA)
where:
Base-Base interactions energy: -370.293
where: short stacking energy: -153.267
Base-Backbone interact. energy: -0.227
local terms energy: -152.643672
where:
bonds (distance) C4'-P energy: -28.475
bonds (distance) P-C4' energy: -27.056
flat angles C4'-P-C4' energy: -28.577
flat angles P-C4'-P energy: -21.525
tors. eta vs tors. theta energy: -47.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -511.221076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.221076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.221076 (E_RNA)
where:
Base-Base interactions energy: -363.296
where: short stacking energy: -150.630
Base-Backbone interact. energy: -0.138
local terms energy: -147.786685
where:
bonds (distance) C4'-P energy: -21.404
bonds (distance) P-C4' energy: -26.111
flat angles C4'-P-C4' energy: -32.786
flat angles P-C4'-P energy: -22.229
tors. eta vs tors. theta energy: -45.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -480.990631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.990631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.990631 (E_RNA)
where:
Base-Base interactions energy: -337.121
where: short stacking energy: -145.424
Base-Backbone interact. energy: -1.145
local terms energy: -142.724723
where:
bonds (distance) C4'-P energy: -22.464
bonds (distance) P-C4' energy: -29.110
flat angles C4'-P-C4' energy: -29.626
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: -42.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -431.493185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.493185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.493185 (E_RNA)
where:
Base-Base interactions energy: -289.592
where: short stacking energy: -125.535
Base-Backbone interact. energy: -0.968
local terms energy: -140.933667
where:
bonds (distance) C4'-P energy: -29.526
bonds (distance) P-C4' energy: -26.836
flat angles C4'-P-C4' energy: -26.249
flat angles P-C4'-P energy: -20.023
tors. eta vs tors. theta energy: -38.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -422.310974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.310974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.310974 (E_RNA)
where:
Base-Base interactions energy: -297.607
where: short stacking energy: -136.180
Base-Backbone interact. energy: -0.509
local terms energy: -124.194928
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -29.636
flat angles P-C4'-P energy: -18.130
tors. eta vs tors. theta energy: -37.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -355.511618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.511618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.511618 (E_RNA)
where:
Base-Base interactions energy: -233.867
where: short stacking energy: -111.774
Base-Backbone interact. energy: -0.198
local terms energy: -121.446654
where:
bonds (distance) C4'-P energy: -26.970
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -29.684
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -32.724
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: 1
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -171.228078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.228078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.228078 (E_RNA)
where:
Base-Base interactions energy: -76.155
where: short stacking energy: -43.890
Base-Backbone interact. energy: -0.643
local terms energy: -94.430632
where:
bonds (distance) C4'-P energy: -29.116
bonds (distance) P-C4' energy: -22.621
flat angles C4'-P-C4' energy: -22.872
flat angles P-C4'-P energy: -15.333
tors. eta vs tors. theta energy: -4.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -128.758273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.758273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.758273 (E_RNA)
where:
Base-Base interactions energy: -37.489
where: short stacking energy: -32.332
Base-Backbone interact. energy: -0.523
local terms energy: -90.747094
where:
bonds (distance) C4'-P energy: -28.552
bonds (distance) P-C4' energy: -27.197
flat angles C4'-P-C4' energy: -26.075
flat angles P-C4'-P energy: -8.043
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: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -536.663403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.663403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.663403 (E_RNA)
where:
Base-Base interactions energy: -385.549
where: short stacking energy: -159.814
Base-Backbone interact. energy: -0.084
local terms energy: -151.030765
where:
bonds (distance) C4'-P energy: -26.874
bonds (distance) P-C4' energy: -26.072
flat angles C4'-P-C4' energy: -32.132
flat angles P-C4'-P energy: -21.695
tors. eta vs tors. theta energy: -44.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -536.911034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.911034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.911034 (E_RNA)
where:
Base-Base interactions energy: -376.785
where: short stacking energy: -156.429
Base-Backbone interact. energy: -0.085
local terms energy: -160.041289
where:
bonds (distance) C4'-P energy: -28.057
bonds (distance) P-C4' energy: -28.275
flat angles C4'-P-C4' energy: -30.969
flat angles P-C4'-P energy: -25.471
tors. eta vs tors. theta energy: -47.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -519.870630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.870630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.870630 (E_RNA)
where:
Base-Base interactions energy: -373.129
where: short stacking energy: -154.983
Base-Backbone interact. energy: -0.049
local terms energy: -146.692865
where:
bonds (distance) C4'-P energy: -27.273
bonds (distance) P-C4' energy: -28.466
flat angles C4'-P-C4' energy: -27.930
flat angles P-C4'-P energy: -17.958
tors. eta vs tors. theta energy: -45.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -499.449310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.449310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.449310 (E_RNA)
where:
Base-Base interactions energy: -339.187
where: short stacking energy: -147.149
Base-Backbone interact. energy: -0.000
local terms energy: -160.262000
where:
bonds (distance) C4'-P energy: -30.581
bonds (distance) P-C4' energy: -27.551
flat angles C4'-P-C4' energy: -31.604
flat angles P-C4'-P energy: -23.838
tors. eta vs tors. theta energy: -46.687
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: 5, replica: 10
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -503.063267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.063267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.063267 (E_RNA)
where:
Base-Base interactions energy: -359.145
where: short stacking energy: -154.359
Base-Backbone interact. energy: -0.004
local terms energy: -143.914357
where:
bonds (distance) C4'-P energy: -22.140
bonds (distance) P-C4' energy: -23.380
flat angles C4'-P-C4' energy: -32.581
flat angles P-C4'-P energy: -22.521
tors. eta vs tors. theta energy: -43.292
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: 433
Temperature: 1.150000
Total energy: -431.485212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.485212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.485212 (E_RNA)
where:
Base-Base interactions energy: -298.164
where: short stacking energy: -124.954
Base-Backbone interact. energy: -0.447
local terms energy: -132.874489
where:
bonds (distance) C4'-P energy: -19.766
bonds (distance) P-C4' energy: -26.194
flat angles C4'-P-C4' energy: -29.157
flat angles P-C4'-P energy: -24.466
tors. eta vs tors. theta energy: -33.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -441.748682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.748682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.748682 (E_RNA)
where:
Base-Base interactions energy: -299.176
where: short stacking energy: -131.970
Base-Backbone interact. energy: -0.266
local terms energy: -142.306426
where:
bonds (distance) C4'-P energy: -24.283
bonds (distance) P-C4' energy: -29.544
flat angles C4'-P-C4' energy: -30.106
flat angles P-C4'-P energy: -20.873
tors. eta vs tors. theta energy: -37.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -332.278788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.278788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.278788 (E_RNA)
where:
Base-Base interactions energy: -226.092
where: short stacking energy: -103.173
Base-Backbone interact. energy: -0.617
local terms energy: -105.569830
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -24.122
flat angles C4'-P-C4' energy: -27.090
flat angles P-C4'-P energy: -19.916
tors. eta vs tors. theta energy: -16.162
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: 1
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -183.448882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.448882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.448882 (E_RNA)
where:
Base-Base interactions energy: -98.097
where: short stacking energy: -52.222
Base-Backbone interact. energy: -0.197
local terms energy: -85.155726
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -29.828
flat angles C4'-P-C4' energy: -20.084
flat angles P-C4'-P energy: -17.544
tors. eta vs tors. theta energy: 3.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -148.822548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.822548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.822548 (E_RNA)
where:
Base-Base interactions energy: -52.946
where: short stacking energy: -52.946
Base-Backbone interact. energy: -0.759
local terms energy: -95.118132
where:
bonds (distance) C4'-P energy: -25.030
bonds (distance) P-C4' energy: -26.427
flat angles C4'-P-C4' energy: -23.095
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -5.836
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: 8
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -545.012188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.012188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.012188 (E_RNA)
where:
Base-Base interactions energy: -382.349
where: short stacking energy: -159.699
Base-Backbone interact. energy: 1.751
local terms energy: -164.414031
where:
bonds (distance) C4'-P energy: -27.076
bonds (distance) P-C4' energy: -24.303
flat angles C4'-P-C4' energy: -34.669
flat angles P-C4'-P energy: -26.597
tors. eta vs tors. theta energy: -51.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -520.908253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.908253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.908253 (E_RNA)
where:
Base-Base interactions energy: -370.264
where: short stacking energy: -151.754
Base-Backbone interact. energy: -0.219
local terms energy: -150.425552
where:
bonds (distance) C4'-P energy: -23.487
bonds (distance) P-C4' energy: -30.273
flat angles C4'-P-C4' energy: -28.973
flat angles P-C4'-P energy: -21.605
tors. eta vs tors. theta energy: -46.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -529.657135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.657135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.657135 (E_RNA)
where:
Base-Base interactions energy: -368.214
where: short stacking energy: -159.449
Base-Backbone interact. energy: -0.020
local terms energy: -161.423165
where:
bonds (distance) C4'-P energy: -28.529
bonds (distance) P-C4' energy: -27.505
flat angles C4'-P-C4' energy: -32.666
flat angles P-C4'-P energy: -26.475
tors. eta vs tors. theta energy: -46.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -499.183009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.183009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.183009 (E_RNA)
where:
Base-Base interactions energy: -347.454
where: short stacking energy: -154.180
Base-Backbone interact. energy: -0.045
local terms energy: -151.684131
where:
bonds (distance) C4'-P energy: -28.256
bonds (distance) P-C4' energy: -28.236
flat angles C4'-P-C4' energy: -30.965
flat angles P-C4'-P energy: -18.525
tors. eta vs tors. theta energy: -45.701
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: 10
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -502.503039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.503039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.503039 (E_RNA)
where:
Base-Base interactions energy: -362.129
where: short stacking energy: -148.542
Base-Backbone interact. energy: -0.101
local terms energy: -140.273318
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -29.857
flat angles C4'-P-C4' energy: -30.839
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -43.799
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: 434
Temperature: 1.150000
Total energy: -441.736818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.736818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.736818 (E_RNA)
where:
Base-Base interactions energy: -311.216
where: short stacking energy: -133.258
Base-Backbone interact. energy: -0.250
local terms energy: -130.271073
where:
bonds (distance) C4'-P energy: -19.888
bonds (distance) P-C4' energy: -25.524
flat angles C4'-P-C4' energy: -29.355
flat angles P-C4'-P energy: -20.286
tors. eta vs tors. theta energy: -35.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -441.608400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.608400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.608400 (E_RNA)
where:
Base-Base interactions energy: -313.420
where: short stacking energy: -140.150
Base-Backbone interact. energy: -0.168
local terms energy: -128.020235
where:
bonds (distance) C4'-P energy: -19.346
bonds (distance) P-C4' energy: -22.203
flat angles C4'-P-C4' energy: -30.998
flat angles P-C4'-P energy: -18.399
tors. eta vs tors. theta energy: -37.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -330.831229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.831229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.831229 (E_RNA)
where:
Base-Base interactions energy: -222.034
where: short stacking energy: -85.012
Base-Backbone interact. energy: -0.339
local terms energy: -108.458361
where:
bonds (distance) C4'-P energy: -19.924
bonds (distance) P-C4' energy: -22.328
flat angles C4'-P-C4' energy: -23.455
flat angles P-C4'-P energy: -20.841
tors. eta vs tors. theta energy: -21.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -141.658632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.658632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.658632 (E_RNA)
where:
Base-Base interactions energy: -47.449
where: short stacking energy: -42.122
Base-Backbone interact. energy: -1.087
local terms energy: -93.122499
where:
bonds (distance) C4'-P energy: -22.584
bonds (distance) P-C4' energy: -27.733
flat angles C4'-P-C4' energy: -22.360
flat angles P-C4'-P energy: -16.037
tors. eta vs tors. theta energy: -4.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -171.712245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.712245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.712245 (E_RNA)
where:
Base-Base interactions energy: -91.546
where: short stacking energy: -48.242
Base-Backbone interact. energy: -0.611
local terms energy: -79.554567
where:
bonds (distance) C4'-P energy: -23.075
bonds (distance) P-C4' energy: -27.562
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -16.488
tors. eta vs tors. theta energy: 0.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -525.986111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.986111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.986111 (E_RNA)
where:
Base-Base interactions energy: -374.046
where: short stacking energy: -151.062
Base-Backbone interact. energy: -0.559
local terms energy: -151.380815
where:
bonds (distance) C4'-P energy: -24.603
bonds (distance) P-C4' energy: -31.511
flat angles C4'-P-C4' energy: -32.842
flat angles P-C4'-P energy: -19.125
tors. eta vs tors. theta energy: -43.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -528.888648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.888648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.888648 (E_RNA)
where:
Base-Base interactions energy: -369.121
where: short stacking energy: -155.732
Base-Backbone interact. energy: -0.002
local terms energy: -159.765906
where:
bonds (distance) C4'-P energy: -24.751
bonds (distance) P-C4' energy: -30.291
flat angles C4'-P-C4' energy: -32.348
flat angles P-C4'-P energy: -25.205
tors. eta vs tors. theta energy: -47.170
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: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -524.460220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.460220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.460220 (E_RNA)
where:
Base-Base interactions energy: -373.123
where: short stacking energy: -156.288
Base-Backbone interact. energy: -0.103
local terms energy: -151.234735
where:
bonds (distance) C4'-P energy: -27.884
bonds (distance) P-C4' energy: -19.431
flat angles C4'-P-C4' energy: -28.221
flat angles P-C4'-P energy: -25.739
tors. eta vs tors. theta energy: -49.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -504.530287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.530287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.530287 (E_RNA)
where:
Base-Base interactions energy: -343.186
where: short stacking energy: -154.147
Base-Backbone interact. energy: -1.455
local terms energy: -159.889390
where:
bonds (distance) C4'-P energy: -23.741
bonds (distance) P-C4' energy: -30.866
flat angles C4'-P-C4' energy: -33.380
flat angles P-C4'-P energy: -22.262
tors. eta vs tors. theta energy: -49.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -501.226963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.226963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.226963 (E_RNA)
where:
Base-Base interactions energy: -353.588
where: short stacking energy: -141.565
Base-Backbone interact. energy: -0.752
local terms energy: -146.886745
where:
bonds (distance) C4'-P energy: -22.549
bonds (distance) P-C4' energy: -25.350
flat angles C4'-P-C4' energy: -33.768
flat angles P-C4'-P energy: -21.131
tors. eta vs tors. theta energy: -44.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -442.530644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.530644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.530644 (E_RNA)
where:
Base-Base interactions energy: -317.869
where: short stacking energy: -132.140
Base-Backbone interact. energy: -1.695
local terms energy: -122.966461
where:
bonds (distance) C4'-P energy: -21.068
bonds (distance) P-C4' energy: -23.909
flat angles C4'-P-C4' energy: -28.549
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -36.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -433.374574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.374574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.374574 (E_RNA)
where:
Base-Base interactions energy: -295.046
where: short stacking energy: -125.430
Base-Backbone interact. energy: 0.554
local terms energy: -138.882973
where:
bonds (distance) C4'-P energy: -31.199
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -29.293
flat angles P-C4'-P energy: -19.422
tors. eta vs tors. theta energy: -38.326
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: 4
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -330.590758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.590758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.590758 (E_RNA)
where:
Base-Base interactions energy: -219.983
where: short stacking energy: -81.497
Base-Backbone interact. energy: 0.066
local terms energy: -110.673493
where:
bonds (distance) C4'-P energy: -29.401
bonds (distance) P-C4' energy: -23.983
flat angles C4'-P-C4' energy: -23.411
flat angles P-C4'-P energy: -19.848
tors. eta vs tors. theta energy: -14.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -143.697074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.697074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.697074 (E_RNA)
where:
Base-Base interactions energy: -54.578
where: short stacking energy: -50.734
Base-Backbone interact. energy: -0.576
local terms energy: -88.543849
where:
bonds (distance) C4'-P energy: -21.881
bonds (distance) P-C4' energy: -24.695
flat angles C4'-P-C4' energy: -27.250
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -186.847319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.847319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.847319 (E_RNA)
where:
Base-Base interactions energy: -99.736
where: short stacking energy: -60.226
Base-Backbone interact. energy: 1.679
local terms energy: -88.790700
where:
bonds (distance) C4'-P energy: -23.682
bonds (distance) P-C4' energy: -23.043
flat angles C4'-P-C4' energy: -24.664
flat angles P-C4'-P energy: -14.195
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: 1, replica: 8
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -531.314386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.314386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.314386 (E_RNA)
where:
Base-Base interactions energy: -375.573
where: short stacking energy: -144.743
Base-Backbone interact. energy: -0.923
local terms energy: -154.818935
where:
bonds (distance) C4'-P energy: -28.790
bonds (distance) P-C4' energy: -29.774
flat angles C4'-P-C4' energy: -31.937
flat angles P-C4'-P energy: -25.326
tors. eta vs tors. theta energy: -38.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -522.490808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.490808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.490808 (E_RNA)
where:
Base-Base interactions energy: -365.618
where: short stacking energy: -151.503
Base-Backbone interact. energy: -0.013
local terms energy: -156.860465
where:
bonds (distance) C4'-P energy: -27.691
bonds (distance) P-C4' energy: -24.930
flat angles C4'-P-C4' energy: -30.989
flat angles P-C4'-P energy: -26.293
tors. eta vs tors. theta energy: -46.958
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: 5
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -503.955398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.955398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.955398 (E_RNA)
where:
Base-Base interactions energy: -351.606
where: short stacking energy: -151.932
Base-Backbone interact. energy: -0.043
local terms energy: -152.306230
where:
bonds (distance) C4'-P energy: -25.783
bonds (distance) P-C4' energy: -22.464
flat angles C4'-P-C4' energy: -32.138
flat angles P-C4'-P energy: -24.169
tors. eta vs tors. theta energy: -47.752
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: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -518.145730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.145730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.145730 (E_RNA)
where:
Base-Base interactions energy: -369.109
where: short stacking energy: -151.601
Base-Backbone interact. energy: -0.671
local terms energy: -148.365856
where:
bonds (distance) C4'-P energy: -19.323
bonds (distance) P-C4' energy: -30.571
flat angles C4'-P-C4' energy: -28.032
flat angles P-C4'-P energy: -21.701
tors. eta vs tors. theta energy: -48.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -509.395141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.395141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.395141 (E_RNA)
where:
Base-Base interactions energy: -361.306
where: short stacking energy: -145.297
Base-Backbone interact. energy: -1.093
local terms energy: -146.996384
where:
bonds (distance) C4'-P energy: -22.762
bonds (distance) P-C4' energy: -26.687
flat angles C4'-P-C4' energy: -28.742
flat angles P-C4'-P energy: -23.625
tors. eta vs tors. theta energy: -45.181
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: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -456.271243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.271243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.271243 (E_RNA)
where:
Base-Base interactions energy: -316.137
where: short stacking energy: -132.108
Base-Backbone interact. energy: -0.912
local terms energy: -139.222829
where:
bonds (distance) C4'-P energy: -25.406
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -29.303
flat angles P-C4'-P energy: -22.052
tors. eta vs tors. theta energy: -41.429
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: 4
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -354.192451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.192451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.192451 (E_RNA)
where:
Base-Base interactions energy: -215.684
where: short stacking energy: -106.346
Base-Backbone interact. energy: 0.864
local terms energy: -139.372348
where:
bonds (distance) C4'-P energy: -29.121
bonds (distance) P-C4' energy: -32.810
flat angles C4'-P-C4' energy: -30.346
flat angles P-C4'-P energy: -16.804
tors. eta vs tors. theta energy: -30.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -380.504730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.504730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.504730 (E_RNA)
where:
Base-Base interactions energy: -259.916
where: short stacking energy: -116.243
Base-Backbone interact. energy: -0.311
local terms energy: -120.278038
where:
bonds (distance) C4'-P energy: -20.194
bonds (distance) P-C4' energy: -24.557
flat angles C4'-P-C4' energy: -28.055
flat angles P-C4'-P energy: -17.503
tors. eta vs tors. theta energy: -29.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -192.918070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.918070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.918070 (E_RNA)
where:
Base-Base interactions energy: -109.505
where: short stacking energy: -51.826
Base-Backbone interact. energy: -0.491
local terms energy: -82.921603
where:
bonds (distance) C4'-P energy: -22.223
bonds (distance) P-C4' energy: -27.099
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -2.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -132.116084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.116084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.116084 (E_RNA)
where:
Base-Base interactions energy: -45.377
where: short stacking energy: -45.377
Base-Backbone interact. energy: -0.033
local terms energy: -86.706060
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -30.945
flat angles C4'-P-C4' energy: -25.855
flat angles P-C4'-P energy: -15.055
tors. eta vs tors. theta energy: 4.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -538.315048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.315048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.315048 (E_RNA)
where:
Base-Base interactions energy: -384.843
where: short stacking energy: -146.591
Base-Backbone interact. energy: -1.427
local terms energy: -152.045295
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -28.593
flat angles C4'-P-C4' energy: -33.990
flat angles P-C4'-P energy: -27.340
tors. eta vs tors. theta energy: -39.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -526.470913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.470913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.470913 (E_RNA)
where:
Base-Base interactions energy: -360.992
where: short stacking energy: -159.285
Base-Backbone interact. energy: -0.123
local terms energy: -165.355892
where:
bonds (distance) C4'-P energy: -28.800
bonds (distance) P-C4' energy: -34.664
flat angles C4'-P-C4' energy: -29.968
flat angles P-C4'-P energy: -22.525
tors. eta vs tors. theta energy: -49.400
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: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -525.065864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.065864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.065864 (E_RNA)
where:
Base-Base interactions energy: -368.452
where: short stacking energy: -160.056
Base-Backbone interact. energy: -0.439
local terms energy: -156.174586
where:
bonds (distance) C4'-P energy: -30.004
bonds (distance) P-C4' energy: -28.185
flat angles C4'-P-C4' energy: -28.613
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: -48.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -512.091806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.091806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.091806 (E_RNA)
where:
Base-Base interactions energy: -372.221
where: short stacking energy: -151.699
Base-Backbone interact. energy: -0.007
local terms energy: -139.863996
where:
bonds (distance) C4'-P energy: -26.740
bonds (distance) P-C4' energy: -23.253
flat angles C4'-P-C4' energy: -25.537
flat angles P-C4'-P energy: -17.280
tors. eta vs tors. theta energy: -47.054
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: 10
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -507.671211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.671211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.671211 (E_RNA)
where:
Base-Base interactions energy: -367.897
where: short stacking energy: -149.491
Base-Backbone interact. energy: -0.209
local terms energy: -139.565869
where:
bonds (distance) C4'-P energy: -29.204
bonds (distance) P-C4' energy: -22.331
flat angles C4'-P-C4' energy: -26.563
flat angles P-C4'-P energy: -15.671
tors. eta vs tors. theta energy: -45.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -342.873705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.873705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.873705 (E_RNA)
where:
Base-Base interactions energy: -234.154
where: short stacking energy: -109.796
Base-Backbone interact. energy: -0.340
local terms energy: -108.379433
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -26.111
flat angles C4'-P-C4' energy: -26.042
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -26.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -449.063039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.063039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.063039 (E_RNA)
where:
Base-Base interactions energy: -309.728
where: short stacking energy: -138.785
Base-Backbone interact. energy: -0.076
local terms energy: -139.258715
where:
bonds (distance) C4'-P energy: -25.096
bonds (distance) P-C4' energy: -22.602
flat angles C4'-P-C4' energy: -27.275
flat angles P-C4'-P energy: -24.688
tors. eta vs tors. theta energy: -39.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -365.410082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.410082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.410082 (E_RNA)
where:
Base-Base interactions energy: -241.522
where: short stacking energy: -106.650
Base-Backbone interact. energy: -0.228
local terms energy: -123.660737
where:
bonds (distance) C4'-P energy: -27.196
bonds (distance) P-C4' energy: -24.526
flat angles C4'-P-C4' energy: -28.660
flat angles P-C4'-P energy: -18.054
tors. eta vs tors. theta energy: -25.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -210.597996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.597996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.597996 (E_RNA)
where:
Base-Base interactions energy: -123.735
where: short stacking energy: -52.369
Base-Backbone interact. energy: -0.618
local terms energy: -86.244773
where:
bonds (distance) C4'-P energy: -27.144
bonds (distance) P-C4' energy: -27.788
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -13.972
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: 10, replica: 7
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -134.561284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.561284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.561284 (E_RNA)
where:
Base-Base interactions energy: -53.485
where: short stacking energy: -49.467
Base-Backbone interact. energy: -0.252
local terms energy: -80.824014
where:
bonds (distance) C4'-P energy: -20.972
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -26.399
flat angles P-C4'-P energy: -4.021
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: 1, replica: 8
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -538.158152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.158152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.158152 (E_RNA)
where:
Base-Base interactions energy: -382.094
where: short stacking energy: -163.567
Base-Backbone interact. energy: -0.629
local terms energy: -155.435379
where:
bonds (distance) C4'-P energy: -27.755
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -32.038
flat angles P-C4'-P energy: -24.504
tors. eta vs tors. theta energy: -49.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -510.660474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.660474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.660474 (E_RNA)
where:
Base-Base interactions energy: -354.963
where: short stacking energy: -133.518
Base-Backbone interact. energy: -0.044
local terms energy: -155.653179
where:
bonds (distance) C4'-P energy: -31.057
bonds (distance) P-C4' energy: -33.414
flat angles C4'-P-C4' energy: -30.722
flat angles P-C4'-P energy: -17.333
tors. eta vs tors. theta energy: -43.128
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: 438
Temperature: 1.000000
Total energy: -528.808386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.808386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.808386 (E_RNA)
where:
Base-Base interactions energy: -366.737
where: short stacking energy: -148.374
Base-Backbone interact. energy: -3.064
local terms energy: -159.008115
where:
bonds (distance) C4'-P energy: -30.614
bonds (distance) P-C4' energy: -26.755
flat angles C4'-P-C4' energy: -33.659
flat angles P-C4'-P energy: -21.579
tors. eta vs tors. theta energy: -46.401
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: 438
Temperature: 1.050000
Total energy: -511.845037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.845037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.845037 (E_RNA)
where:
Base-Base interactions energy: -358.467
where: short stacking energy: -148.255
Base-Backbone interact. energy: -0.578
local terms energy: -152.800476
where:
bonds (distance) C4'-P energy: -26.746
bonds (distance) P-C4' energy: -26.527
flat angles C4'-P-C4' energy: -29.159
flat angles P-C4'-P energy: -22.330
tors. eta vs tors. theta energy: -48.039
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: 5, replica: 10
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -503.906395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.906395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.906395 (E_RNA)
where:
Base-Base interactions energy: -357.350
where: short stacking energy: -157.840
Base-Backbone interact. energy: -1.147
local terms energy: -145.410109
where:
bonds (distance) C4'-P energy: -22.329
bonds (distance) P-C4' energy: -27.485
flat angles C4'-P-C4' energy: -27.424
flat angles P-C4'-P energy: -22.885
tors. eta vs tors. theta energy: -45.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -346.648774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.648774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.648774 (E_RNA)
where:
Base-Base interactions energy: -231.422
where: short stacking energy: -105.413
Base-Backbone interact. energy: -0.258
local terms energy: -114.969076
where:
bonds (distance) C4'-P energy: -27.104
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -24.055
flat angles P-C4'-P energy: -18.929
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: 7, replica: 6
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -447.334141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.334141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.334141 (E_RNA)
where:
Base-Base interactions energy: -323.505
where: short stacking energy: -141.032
Base-Backbone interact. energy: -0.058
local terms energy: -123.771400
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -21.112
flat angles C4'-P-C4' energy: -28.695
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -44.535
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: 8, replica: 3
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -390.481342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.481342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.481342 (E_RNA)
where:
Base-Base interactions energy: -265.717
where: short stacking energy: -129.746
Base-Backbone interact. energy: -0.380
local terms energy: -124.384274
where:
bonds (distance) C4'-P energy: -19.521
bonds (distance) P-C4' energy: -25.316
flat angles C4'-P-C4' energy: -25.269
flat angles P-C4'-P energy: -16.754
tors. eta vs tors. theta energy: -37.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -149.755289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.755289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.755289 (E_RNA)
where:
Base-Base interactions energy: -57.054
where: short stacking energy: -52.979
Base-Backbone interact. energy: -0.348
local terms energy: -92.352833
where:
bonds (distance) C4'-P energy: -25.702
bonds (distance) P-C4' energy: -22.896
flat angles C4'-P-C4' energy: -25.922
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -6.730
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: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -190.817104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.817104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.817104 (E_RNA)
where:
Base-Base interactions energy: -98.320
where: short stacking energy: -65.080
Base-Backbone interact. energy: 0.878
local terms energy: -93.375357
where:
bonds (distance) C4'-P energy: -23.132
bonds (distance) P-C4' energy: -21.663
flat angles C4'-P-C4' energy: -25.141
flat angles P-C4'-P energy: -12.159
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: 1, replica: 8
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -535.338688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.338688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.338688 (E_RNA)
where:
Base-Base interactions energy: -376.988
where: short stacking energy: -162.094
Base-Backbone interact. energy: -0.013
local terms energy: -158.337166
where:
bonds (distance) C4'-P energy: -24.403
bonds (distance) P-C4' energy: -27.769
flat angles C4'-P-C4' energy: -34.875
flat angles P-C4'-P energy: -22.089
tors. eta vs tors. theta energy: -49.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -535.101647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.101647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.101647 (E_RNA)
where:
Base-Base interactions energy: -374.388
where: short stacking energy: -162.264
Base-Backbone interact. energy: -0.028
local terms energy: -160.685308
where:
bonds (distance) C4'-P energy: -30.305
bonds (distance) P-C4' energy: -30.041
flat angles C4'-P-C4' energy: -31.692
flat angles P-C4'-P energy: -20.263
tors. eta vs tors. theta energy: -48.384
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: 3, replica: 5
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -527.113270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.113270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.113270 (E_RNA)
where:
Base-Base interactions energy: -372.414
where: short stacking energy: -154.353
Base-Backbone interact. energy: -0.079
local terms energy: -154.619984
where:
bonds (distance) C4'-P energy: -30.299
bonds (distance) P-C4' energy: -26.324
flat angles C4'-P-C4' energy: -30.228
flat angles P-C4'-P energy: -23.315
tors. eta vs tors. theta energy: -44.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -517.870122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.870122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.870122 (E_RNA)
where:
Base-Base interactions energy: -368.984
where: short stacking energy: -152.196
Base-Backbone interact. energy: -0.036
local terms energy: -148.850294
where:
bonds (distance) C4'-P energy: -21.591
bonds (distance) P-C4' energy: -27.185
flat angles C4'-P-C4' energy: -33.055
flat angles P-C4'-P energy: -20.218
tors. eta vs tors. theta energy: -46.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -506.661287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.661287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.661287 (E_RNA)
where:
Base-Base interactions energy: -365.676
where: short stacking energy: -147.114
Base-Backbone interact. energy: 0.162
local terms energy: -141.146971
where:
bonds (distance) C4'-P energy: -20.422
bonds (distance) P-C4' energy: -32.621
flat angles C4'-P-C4' energy: -31.167
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -41.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -444.075596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.075596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.075596 (E_RNA)
where:
Base-Base interactions energy: -300.346
where: short stacking energy: -123.605
Base-Backbone interact. energy: -0.145
local terms energy: -143.584104
where:
bonds (distance) C4'-P energy: -26.178
bonds (distance) P-C4' energy: -27.593
flat angles C4'-P-C4' energy: -25.292
flat angles P-C4'-P energy: -24.937
tors. eta vs tors. theta energy: -39.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -342.216594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.216594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.216594 (E_RNA)
where:
Base-Base interactions energy: -231.028
where: short stacking energy: -104.543
Base-Backbone interact. energy: -0.104
local terms energy: -111.084534
where:
bonds (distance) C4'-P energy: -24.089
bonds (distance) P-C4' energy: -21.608
flat angles C4'-P-C4' energy: -29.031
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -25.702
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: 439
Temperature: 1.250000
Total energy: -414.071206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.071206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.071206 (E_RNA)
where:
Base-Base interactions energy: -280.680
where: short stacking energy: -127.111
Base-Backbone interact. energy: -0.476
local terms energy: -132.915095
where:
bonds (distance) C4'-P energy: -26.380
bonds (distance) P-C4' energy: -24.110
flat angles C4'-P-C4' energy: -30.498
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: -35.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -147.558897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.558897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.558897 (E_RNA)
where:
Base-Base interactions energy: -60.468
where: short stacking energy: -52.798
Base-Backbone interact. energy: -0.506
local terms energy: -86.584253
where:
bonds (distance) C4'-P energy: -24.206
bonds (distance) P-C4' energy: -26.421
flat angles C4'-P-C4' energy: -22.687
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: 0.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -212.480027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.480027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.480027 (E_RNA)
where:
Base-Base interactions energy: -123.548
where: short stacking energy: -64.457
Base-Backbone interact. energy: -0.644
local terms energy: -88.287749
where:
bonds (distance) C4'-P energy: -27.567
bonds (distance) P-C4' energy: -24.279
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -9.836
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: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -536.074029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.074029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.074029 (E_RNA)
where:
Base-Base interactions energy: -373.955
where: short stacking energy: -158.380
Base-Backbone interact. energy: -0.902
local terms energy: -161.217041
where:
bonds (distance) C4'-P energy: -31.840
bonds (distance) P-C4' energy: -24.125
flat angles C4'-P-C4' energy: -30.589
flat angles P-C4'-P energy: -26.695
tors. eta vs tors. theta energy: -47.968
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: 8
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -528.529485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.529485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.529485 (E_RNA)
where:
Base-Base interactions energy: -368.365
where: short stacking energy: -158.505
Base-Backbone interact. energy: -0.012
local terms energy: -160.152499
where:
bonds (distance) C4'-P energy: -31.867
bonds (distance) P-C4' energy: -26.625
flat angles C4'-P-C4' energy: -30.803
flat angles P-C4'-P energy: -25.408
tors. eta vs tors. theta energy: -45.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -517.628139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.628139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.628139 (E_RNA)
where:
Base-Base interactions energy: -357.817
where: short stacking energy: -144.670
Base-Backbone interact. energy: -0.779
local terms energy: -159.032372
where:
bonds (distance) C4'-P energy: -28.206
bonds (distance) P-C4' energy: -29.037
flat angles C4'-P-C4' energy: -34.148
flat angles P-C4'-P energy: -20.572
tors. eta vs tors. theta energy: -47.070
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: 5
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -513.927831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.927831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.927831 (E_RNA)
where:
Base-Base interactions energy: -350.249
where: short stacking energy: -158.722
Base-Backbone interact. energy: -1.130
local terms energy: -162.549088
where:
bonds (distance) C4'-P energy: -30.619
bonds (distance) P-C4' energy: -28.017
flat angles C4'-P-C4' energy: -32.692
flat angles P-C4'-P energy: -23.626
tors. eta vs tors. theta energy: -47.595
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: 5, replica: 9
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -511.881457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.881457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.881457 (E_RNA)
where:
Base-Base interactions energy: -364.745
where: short stacking energy: -146.161
Base-Backbone interact. energy: -0.240
local terms energy: -146.896116
where:
bonds (distance) C4'-P energy: -26.566
bonds (distance) P-C4' energy: -29.451
flat angles C4'-P-C4' energy: -30.293
flat angles P-C4'-P energy: -21.214
tors. eta vs tors. theta energy: -39.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -437.498298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.498298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.498298 (E_RNA)
where:
Base-Base interactions energy: -297.450
where: short stacking energy: -128.792
Base-Backbone interact. energy: -0.165
local terms energy: -139.882915
where:
bonds (distance) C4'-P energy: -26.106
bonds (distance) P-C4' energy: -28.288
flat angles C4'-P-C4' energy: -27.510
flat angles P-C4'-P energy: -21.626
tors. eta vs tors. theta energy: -36.352
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: 3
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -429.084629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.084629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.084629 (E_RNA)
where:
Base-Base interactions energy: -292.080
where: short stacking energy: -134.333
Base-Backbone interact. energy: -0.034
local terms energy: -136.970490
where:
bonds (distance) C4'-P energy: -27.070
bonds (distance) P-C4' energy: -25.764
flat angles C4'-P-C4' energy: -24.871
flat angles P-C4'-P energy: -20.507
tors. eta vs tors. theta energy: -38.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -322.550712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.550712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.550712 (E_RNA)
where:
Base-Base interactions energy: -217.522
where: short stacking energy: -97.741
Base-Backbone interact. energy: -0.200
local terms energy: -104.828537
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -24.435
flat angles C4'-P-C4' energy: -20.740
flat angles P-C4'-P energy: -19.639
tors. eta vs tors. theta energy: -20.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -207.651931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.651931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.651931 (E_RNA)
where:
Base-Base interactions energy: -126.967
where: short stacking energy: -68.880
Base-Backbone interact. energy: -0.386
local terms energy: -80.299200
where:
bonds (distance) C4'-P energy: -23.391
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -10.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -125.656439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.656439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.656439 (E_RNA)
where:
Base-Base interactions energy: -55.564
where: short stacking energy: -42.658
Base-Backbone interact. energy: 2.146
local terms energy: -72.238518
where:
bonds (distance) C4'-P energy: -27.829
bonds (distance) P-C4' energy: -25.509
flat angles C4'-P-C4' energy: -9.814
flat angles P-C4'-P energy: -15.801
tors. eta vs tors. theta energy: 6.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -536.387989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.387989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.387989 (E_RNA)
where:
Base-Base interactions energy: -375.066
where: short stacking energy: -160.936
Base-Backbone interact. energy: -0.266
local terms energy: -161.056283
where:
bonds (distance) C4'-P energy: -29.236
bonds (distance) P-C4' energy: -26.164
flat angles C4'-P-C4' energy: -36.385
flat angles P-C4'-P energy: -19.742
tors. eta vs tors. theta energy: -49.529
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: 8
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -520.271848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.271848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.271848 (E_RNA)
where:
Base-Base interactions energy: -368.021
where: short stacking energy: -147.159
Base-Backbone interact. energy: -0.017
local terms energy: -152.234618
where:
bonds (distance) C4'-P energy: -28.936
bonds (distance) P-C4' energy: -28.703
flat angles C4'-P-C4' energy: -27.076
flat angles P-C4'-P energy: -20.428
tors. eta vs tors. theta energy: -47.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -515.497775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.497775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.497775 (E_RNA)
where:
Base-Base interactions energy: -365.906
where: short stacking energy: -143.894
Base-Backbone interact. energy: -0.159
local terms energy: -149.433569
where:
bonds (distance) C4'-P energy: -26.264
bonds (distance) P-C4' energy: -30.061
flat angles C4'-P-C4' energy: -27.508
flat angles P-C4'-P energy: -18.433
tors. eta vs tors. theta energy: -47.168
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: 441
Temperature: 1.050000
Total energy: -503.079572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.079572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.079572 (E_RNA)
where:
Base-Base interactions energy: -349.883
where: short stacking energy: -151.004
Base-Backbone interact. energy: 0.358
local terms energy: -153.554201
where:
bonds (distance) C4'-P energy: -32.524
bonds (distance) P-C4' energy: -23.912
flat angles C4'-P-C4' energy: -30.770
flat angles P-C4'-P energy: -25.112
tors. eta vs tors. theta energy: -41.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -495.968658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.968658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.968658 (E_RNA)
where:
Base-Base interactions energy: -346.638
where: short stacking energy: -147.739
Base-Backbone interact. energy: -0.007
local terms energy: -149.323250
where:
bonds (distance) C4'-P energy: -23.832
bonds (distance) P-C4' energy: -26.407
flat angles C4'-P-C4' energy: -32.402
flat angles P-C4'-P energy: -21.190
tors. eta vs tors. theta energy: -45.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -424.429465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.429465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.429465 (E_RNA)
where:
Base-Base interactions energy: -307.368
where: short stacking energy: -124.889
Base-Backbone interact. energy: -0.798
local terms energy: -116.263815
where:
bonds (distance) C4'-P energy: -19.726
bonds (distance) P-C4' energy: -19.125
flat angles C4'-P-C4' energy: -25.545
flat angles P-C4'-P energy: -16.097
tors. eta vs tors. theta energy: -35.770
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: 441
Temperature: 1.200000
Total energy: -392.906118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.906118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.906118 (E_RNA)
where:
Base-Base interactions energy: -267.851
where: short stacking energy: -116.086
Base-Backbone interact. energy: -0.235
local terms energy: -124.820365
where:
bonds (distance) C4'-P energy: -23.222
bonds (distance) P-C4' energy: -25.146
flat angles C4'-P-C4' energy: -30.007
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -33.606
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: 4
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -324.687485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.687485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.687485 (E_RNA)
where:
Base-Base interactions energy: -210.706
where: short stacking energy: -92.716
Base-Backbone interact. energy: -0.187
local terms energy: -113.794055
where:
bonds (distance) C4'-P energy: -19.952
bonds (distance) P-C4' energy: -26.596
flat angles C4'-P-C4' energy: -22.548
flat angles P-C4'-P energy: -15.828
tors. eta vs tors. theta energy: -28.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -192.739160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.739160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.739160 (E_RNA)
where:
Base-Base interactions energy: -114.643
where: short stacking energy: -61.129
Base-Backbone interact. energy: 3.176
local terms energy: -81.271942
where:
bonds (distance) C4'-P energy: -24.123
bonds (distance) P-C4' energy: -22.885
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -6.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -122.743498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.743498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.743498 (E_RNA)
where:
Base-Base interactions energy: -39.360
where: short stacking energy: -31.553
Base-Backbone interact. energy: 0.075
local terms energy: -83.458934
where:
bonds (distance) C4'-P energy: -25.763
bonds (distance) P-C4' energy: -28.743
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: 5.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -531.216481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.216481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.216481 (E_RNA)
where:
Base-Base interactions energy: -376.826
where: short stacking energy: -153.791
Base-Backbone interact. energy: 1.327
local terms energy: -155.717321
where:
bonds (distance) C4'-P energy: -27.403
bonds (distance) P-C4' energy: -28.428
flat angles C4'-P-C4' energy: -31.657
flat angles P-C4'-P energy: -23.706
tors. eta vs tors. theta energy: -44.524
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: 8
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -523.504081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.504081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.504081 (E_RNA)
where:
Base-Base interactions energy: -379.998
where: short stacking energy: -150.053
Base-Backbone interact. energy: -0.280
local terms energy: -143.226228
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -29.594
flat angles C4'-P-C4' energy: -28.256
flat angles P-C4'-P energy: -23.030
tors. eta vs tors. theta energy: -44.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -521.065014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.065014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.065014 (E_RNA)
where:
Base-Base interactions energy: -366.794
where: short stacking energy: -142.042
Base-Backbone interact. energy: -0.085
local terms energy: -154.186884
where:
bonds (distance) C4'-P energy: -28.528
bonds (distance) P-C4' energy: -33.426
flat angles C4'-P-C4' energy: -30.710
flat angles P-C4'-P energy: -17.288
tors. eta vs tors. theta energy: -44.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -506.194596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.194596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.194596 (E_RNA)
where:
Base-Base interactions energy: -345.695
where: short stacking energy: -149.307
Base-Backbone interact. energy: -0.018
local terms energy: -160.481442
where:
bonds (distance) C4'-P energy: -26.841
bonds (distance) P-C4' energy: -31.530
flat angles C4'-P-C4' energy: -35.046
flat angles P-C4'-P energy: -21.912
tors. eta vs tors. theta energy: -45.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -490.919832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.919832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.919832 (E_RNA)
where:
Base-Base interactions energy: -347.240
where: short stacking energy: -141.914
Base-Backbone interact. energy: -0.050
local terms energy: -143.630608
where:
bonds (distance) C4'-P energy: -25.873
bonds (distance) P-C4' energy: -25.816
flat angles C4'-P-C4' energy: -26.567
flat angles P-C4'-P energy: -20.998
tors. eta vs tors. theta energy: -44.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -460.656010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.656010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.656010 (E_RNA)
where:
Base-Base interactions energy: -315.218
where: short stacking energy: -133.058
Base-Backbone interact. energy: -0.045
local terms energy: -145.392999
where:
bonds (distance) C4'-P energy: -22.334
bonds (distance) P-C4' energy: -29.935
flat angles C4'-P-C4' energy: -32.647
flat angles P-C4'-P energy: -20.768
tors. eta vs tors. theta energy: -39.709
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: 3
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -385.053790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.053790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.053790 (E_RNA)
where:
Base-Base interactions energy: -265.848
where: short stacking energy: -118.543
Base-Backbone interact. energy: -0.281
local terms energy: -118.924907
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -23.460
flat angles C4'-P-C4' energy: -28.081
flat angles P-C4'-P energy: -16.180
tors. eta vs tors. theta energy: -33.525
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: 4
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -339.533075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.533075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.533075 (E_RNA)
where:
Base-Base interactions energy: -217.306
where: short stacking energy: -97.708
Base-Backbone interact. energy: -0.181
local terms energy: -122.046454
where:
bonds (distance) C4'-P energy: -24.861
bonds (distance) P-C4' energy: -28.730
flat angles C4'-P-C4' energy: -24.641
flat angles P-C4'-P energy: -15.925
tors. eta vs tors. theta energy: -27.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -209.566729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.566729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.566729 (E_RNA)
where:
Base-Base interactions energy: -116.378
where: short stacking energy: -66.853
Base-Backbone interact. energy: 2.528
local terms energy: -95.716996
where:
bonds (distance) C4'-P energy: -19.484
bonds (distance) P-C4' energy: -26.964
flat angles C4'-P-C4' energy: -27.354
flat angles P-C4'-P energy: -15.826
tors. eta vs tors. theta energy: -6.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -132.205474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.205474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.205474 (E_RNA)
where:
Base-Base interactions energy: -49.244
where: short stacking energy: -40.569
Base-Backbone interact. energy: -0.211
local terms energy: -82.750330
where:
bonds (distance) C4'-P energy: -23.858
bonds (distance) P-C4' energy: -29.225
flat angles C4'-P-C4' energy: -19.183
flat angles P-C4'-P energy: -12.140
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: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -542.195433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.195433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.195433 (E_RNA)
where:
Base-Base interactions energy: -375.917
where: short stacking energy: -156.539
Base-Backbone interact. energy: 0.349
local terms energy: -166.627011
where:
bonds (distance) C4'-P energy: -29.806
bonds (distance) P-C4' energy: -30.743
flat angles C4'-P-C4' energy: -35.435
flat angles P-C4'-P energy: -21.543
tors. eta vs tors. theta energy: -49.100
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: 8
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -527.239677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.239677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.239677 (E_RNA)
where:
Base-Base interactions energy: -366.075
where: short stacking energy: -150.699
Base-Backbone interact. energy: -0.355
local terms energy: -160.809943
where:
bonds (distance) C4'-P energy: -32.353
bonds (distance) P-C4' energy: -31.946
flat angles C4'-P-C4' energy: -32.806
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -48.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -522.324961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.324961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.324961 (E_RNA)
where:
Base-Base interactions energy: -360.872
where: short stacking energy: -145.951
Base-Backbone interact. energy: -0.415
local terms energy: -161.037500
where:
bonds (distance) C4'-P energy: -33.346
bonds (distance) P-C4' energy: -31.179
flat angles C4'-P-C4' energy: -31.383
flat angles P-C4'-P energy: -19.180
tors. eta vs tors. theta energy: -45.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -513.781755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.781755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.781755 (E_RNA)
where:
Base-Base interactions energy: -350.210
where: short stacking energy: -147.988
Base-Backbone interact. energy: -0.685
local terms energy: -162.887475
where:
bonds (distance) C4'-P energy: -29.426
bonds (distance) P-C4' energy: -29.013
flat angles C4'-P-C4' energy: -32.775
flat angles P-C4'-P energy: -21.683
tors. eta vs tors. theta energy: -49.991
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: 5
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -491.899683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.899683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.899683 (E_RNA)
where:
Base-Base interactions energy: -352.053
where: short stacking energy: -152.025
Base-Backbone interact. energy: -0.010
local terms energy: -139.836790
where:
bonds (distance) C4'-P energy: -25.280
bonds (distance) P-C4' energy: -28.332
flat angles C4'-P-C4' energy: -21.813
flat angles P-C4'-P energy: -18.498
tors. eta vs tors. theta energy: -45.913
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: 443
Temperature: 1.150000
Total energy: -457.494446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.494446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.494446 (E_RNA)
where:
Base-Base interactions energy: -324.039
where: short stacking energy: -134.400
Base-Backbone interact. energy: 2.245
local terms energy: -135.700053
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -24.192
flat angles C4'-P-C4' energy: -29.710
flat angles P-C4'-P energy: -21.589
tors. eta vs tors. theta energy: -39.179
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: 3
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -396.083890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.083890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.083890 (E_RNA)
where:
Base-Base interactions energy: -280.547
where: short stacking energy: -116.462
Base-Backbone interact. energy: -0.816
local terms energy: -114.720663
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -25.337
flat angles C4'-P-C4' energy: -24.117
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -29.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -343.892676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.892676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.892676 (E_RNA)
where:
Base-Base interactions energy: -221.423
where: short stacking energy: -95.955
Base-Backbone interact. energy: -0.941
local terms energy: -121.528958
where:
bonds (distance) C4'-P energy: -25.290
bonds (distance) P-C4' energy: -23.773
flat angles C4'-P-C4' energy: -31.131
flat angles P-C4'-P energy: -18.665
tors. eta vs tors. theta energy: -22.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -207.288302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.288302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.288302 (E_RNA)
where:
Base-Base interactions energy: -106.066
where: short stacking energy: -59.152
Base-Backbone interact. energy: -0.698
local terms energy: -100.524486
where:
bonds (distance) C4'-P energy: -27.089
bonds (distance) P-C4' energy: -26.240
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -17.520
tors. eta vs tors. theta energy: -11.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -129.896805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.896805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.896805 (E_RNA)
where:
Base-Base interactions energy: -39.167
where: short stacking energy: -40.367
Base-Backbone interact. energy: -0.095
local terms energy: -90.634715
where:
bonds (distance) C4'-P energy: -22.550
bonds (distance) P-C4' energy: -27.372
flat angles C4'-P-C4' energy: -27.340
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -531.819468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.819468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.819468 (E_RNA)
where:
Base-Base interactions energy: -382.121
where: short stacking energy: -156.593
Base-Backbone interact. energy: -0.236
local terms energy: -149.462450
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -29.229
flat angles C4'-P-C4' energy: -32.547
flat angles P-C4'-P energy: -16.814
tors. eta vs tors. theta energy: -47.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -538.924488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.924488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.924488 (E_RNA)
where:
Base-Base interactions energy: -383.718
where: short stacking energy: -159.478
Base-Backbone interact. energy: -1.126
local terms energy: -154.080472
where:
bonds (distance) C4'-P energy: -26.628
bonds (distance) P-C4' energy: -26.756
flat angles C4'-P-C4' energy: -32.021
flat angles P-C4'-P energy: -21.478
tors. eta vs tors. theta energy: -47.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -514.372129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.372129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.372129 (E_RNA)
where:
Base-Base interactions energy: -367.783
where: short stacking energy: -150.815
Base-Backbone interact. energy: -0.400
local terms energy: -146.189639
where:
bonds (distance) C4'-P energy: -19.440
bonds (distance) P-C4' energy: -28.935
flat angles C4'-P-C4' energy: -31.814
flat angles P-C4'-P energy: -22.321
tors. eta vs tors. theta energy: -43.680
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: 10
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -510.799578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.799578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.799578 (E_RNA)
where:
Base-Base interactions energy: -367.064
where: short stacking energy: -148.139
Base-Backbone interact. energy: -0.005
local terms energy: -143.729797
where:
bonds (distance) C4'-P energy: -26.788
bonds (distance) P-C4' energy: -22.126
flat angles C4'-P-C4' energy: -30.160
flat angles P-C4'-P energy: -18.329
tors. eta vs tors. theta energy: -46.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -487.588891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.588891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.588891 (E_RNA)
where:
Base-Base interactions energy: -333.818
where: short stacking energy: -150.745
Base-Backbone interact. energy: -0.794
local terms energy: -152.977157
where:
bonds (distance) C4'-P energy: -24.658
bonds (distance) P-C4' energy: -28.750
flat angles C4'-P-C4' energy: -32.031
flat angles P-C4'-P energy: -20.023
tors. eta vs tors. theta energy: -47.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -468.113398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.113398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.113398 (E_RNA)
where:
Base-Base interactions energy: -319.751
where: short stacking energy: -134.879
Base-Backbone interact. energy: -0.317
local terms energy: -148.045162
where:
bonds (distance) C4'-P energy: -29.608
bonds (distance) P-C4' energy: -24.153
flat angles C4'-P-C4' energy: -29.537
flat angles P-C4'-P energy: -20.755
tors. eta vs tors. theta energy: -43.992
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: 3
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -415.958634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.958634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.958634 (E_RNA)
where:
Base-Base interactions energy: -288.660
where: short stacking energy: -118.507
Base-Backbone interact. energy: -0.090
local terms energy: -127.208251
where:
bonds (distance) C4'-P energy: -24.165
bonds (distance) P-C4' energy: -28.157
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -36.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -343.518427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.518427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.518427 (E_RNA)
where:
Base-Base interactions energy: -233.997
where: short stacking energy: -101.465
Base-Backbone interact. energy: -0.755
local terms energy: -108.766420
where:
bonds (distance) C4'-P energy: -23.221
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -23.099
flat angles P-C4'-P energy: -16.153
tors. eta vs tors. theta energy: -27.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -208.702387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.702387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.702387 (E_RNA)
where:
Base-Base interactions energy: -111.588
where: short stacking energy: -68.488
Base-Backbone interact. energy: -0.138
local terms energy: -96.976923
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -27.859
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -17.295
tors. eta vs tors. theta energy: -12.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -149.701772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.701772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.701772 (E_RNA)
where:
Base-Base interactions energy: -63.830
where: short stacking energy: -47.741
Base-Backbone interact. energy: -0.459
local terms energy: -85.411850
where:
bonds (distance) C4'-P energy: -30.029
bonds (distance) P-C4' energy: -24.733
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -8.305
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: 8
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -533.881245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.881245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.881245 (E_RNA)
where:
Base-Base interactions energy: -379.933
where: short stacking energy: -159.531
Base-Backbone interact. energy: 1.253
local terms energy: -155.200900
where:
bonds (distance) C4'-P energy: -28.537
bonds (distance) P-C4' energy: -25.201
flat angles C4'-P-C4' energy: -30.769
flat angles P-C4'-P energy: -21.152
tors. eta vs tors. theta energy: -49.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -519.830387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.830387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.830387 (E_RNA)
where:
Base-Base interactions energy: -374.811
where: short stacking energy: -146.899
Base-Backbone interact. energy: -0.539
local terms energy: -144.480553
where:
bonds (distance) C4'-P energy: -23.222
bonds (distance) P-C4' energy: -31.119
flat angles C4'-P-C4' energy: -27.256
flat angles P-C4'-P energy: -21.694
tors. eta vs tors. theta energy: -41.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -517.982432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.982432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.982432 (E_RNA)
where:
Base-Base interactions energy: -365.120
where: short stacking energy: -149.142
Base-Backbone interact. energy: -0.041
local terms energy: -152.821505
where:
bonds (distance) C4'-P energy: -25.854
bonds (distance) P-C4' energy: -25.364
flat angles C4'-P-C4' energy: -34.130
flat angles P-C4'-P energy: -20.275
tors. eta vs tors. theta energy: -47.199
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: 10
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -524.012967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.012967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.012967 (E_RNA)
where:
Base-Base interactions energy: -371.985
where: short stacking energy: -149.324
Base-Backbone interact. energy: -0.149
local terms energy: -151.879144
where:
bonds (distance) C4'-P energy: -23.417
bonds (distance) P-C4' energy: -24.324
flat angles C4'-P-C4' energy: -32.176
flat angles P-C4'-P energy: -25.533
tors. eta vs tors. theta energy: -46.429
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: 5
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -494.441528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.441528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.441528 (E_RNA)
where:
Base-Base interactions energy: -346.639
where: short stacking energy: -150.854
Base-Backbone interact. energy: -0.831
local terms energy: -146.971728
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -28.050
flat angles C4'-P-C4' energy: -31.548
flat angles P-C4'-P energy: -22.594
tors. eta vs tors. theta energy: -46.577
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: 6
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -453.205254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.205254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.205254 (E_RNA)
where:
Base-Base interactions energy: -316.681
where: short stacking energy: -140.538
Base-Backbone interact. energy: -0.460
local terms energy: -136.064477
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -25.193
flat angles C4'-P-C4' energy: -31.353
flat angles P-C4'-P energy: -17.611
tors. eta vs tors. theta energy: -41.572
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: 3
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -417.267798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.267798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.267798 (E_RNA)
where:
Base-Base interactions energy: -291.164
where: short stacking energy: -130.174
Base-Backbone interact. energy: 0.417
local terms energy: -126.520706
where:
bonds (distance) C4'-P energy: -22.757
bonds (distance) P-C4' energy: -22.794
flat angles C4'-P-C4' energy: -27.449
flat angles P-C4'-P energy: -14.949
tors. eta vs tors. theta energy: -38.572
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: 4
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -366.010425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.010425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.010425 (E_RNA)
where:
Base-Base interactions energy: -251.549
where: short stacking energy: -96.606
Base-Backbone interact. energy: 0.807
local terms energy: -115.269080
where:
bonds (distance) C4'-P energy: -29.862
bonds (distance) P-C4' energy: -21.428
flat angles C4'-P-C4' energy: -25.263
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -25.320
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: 1
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -223.271236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.271236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.271236 (E_RNA)
where:
Base-Base interactions energy: -125.000
where: short stacking energy: -81.494
Base-Backbone interact. energy: -0.257
local terms energy: -98.014353
where:
bonds (distance) C4'-P energy: -21.319
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -24.390
flat angles P-C4'-P energy: -19.902
tors. eta vs tors. theta energy: -13.820
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: 10, replica: 7
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -124.340955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.340955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.340955 (E_RNA)
where:
Base-Base interactions energy: -52.381
where: short stacking energy: -43.824
Base-Backbone interact. energy: 0.196
local terms energy: -72.155870
where:
bonds (distance) C4'-P energy: -23.966
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -15.973
tors. eta vs tors. theta energy: 1.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -526.314246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.314246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.314246 (E_RNA)
where:
Base-Base interactions energy: -373.750
where: short stacking energy: -152.320
Base-Backbone interact. energy: -0.173
local terms energy: -152.391186
where:
bonds (distance) C4'-P energy: -28.653
bonds (distance) P-C4' energy: -26.142
flat angles C4'-P-C4' energy: -31.750
flat angles P-C4'-P energy: -20.716
tors. eta vs tors. theta energy: -45.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -524.585303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.585303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.585303 (E_RNA)
where:
Base-Base interactions energy: -368.604
where: short stacking energy: -150.703
Base-Backbone interact. energy: -0.049
local terms energy: -155.932527
where:
bonds (distance) C4'-P energy: -30.974
bonds (distance) P-C4' energy: -29.100
flat angles C4'-P-C4' energy: -29.405
flat angles P-C4'-P energy: -18.413
tors. eta vs tors. theta energy: -48.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -527.220040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.220040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.220040 (E_RNA)
where:
Base-Base interactions energy: -364.014
where: short stacking energy: -157.018
Base-Backbone interact. energy: -0.418
local terms energy: -162.788520
where:
bonds (distance) C4'-P energy: -31.199
bonds (distance) P-C4' energy: -23.903
flat angles C4'-P-C4' energy: -34.509
flat angles P-C4'-P energy: -24.924
tors. eta vs tors. theta energy: -48.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -507.527886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.527886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.527886 (E_RNA)
where:
Base-Base interactions energy: -360.092
where: short stacking energy: -153.449
Base-Backbone interact. energy: 0.270
local terms energy: -147.705006
where:
bonds (distance) C4'-P energy: -23.606
bonds (distance) P-C4' energy: -24.579
flat angles C4'-P-C4' energy: -32.013
flat angles P-C4'-P energy: -17.922
tors. eta vs tors. theta energy: -49.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -490.618963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.618963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.618963 (E_RNA)
where:
Base-Base interactions energy: -340.088
where: short stacking energy: -145.185
Base-Backbone interact. energy: 0.065
local terms energy: -150.596407
where:
bonds (distance) C4'-P energy: -30.342
bonds (distance) P-C4' energy: -23.002
flat angles C4'-P-C4' energy: -29.644
flat angles P-C4'-P energy: -19.960
tors. eta vs tors. theta energy: -47.649
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: 6, replica: 6
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -451.044996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.044996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.044996 (E_RNA)
where:
Base-Base interactions energy: -327.342
where: short stacking energy: -131.364
Base-Backbone interact. energy: 0.226
local terms energy: -123.928376
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -24.076
flat angles C4'-P-C4' energy: -26.194
flat angles P-C4'-P energy: -21.581
tors. eta vs tors. theta energy: -36.502
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: 3
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -405.697362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.697362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.697362 (E_RNA)
where:
Base-Base interactions energy: -267.637
where: short stacking energy: -123.436
Base-Backbone interact. energy: -0.129
local terms energy: -137.931779
where:
bonds (distance) C4'-P energy: -28.709
bonds (distance) P-C4' energy: -26.945
flat angles C4'-P-C4' energy: -27.244
flat angles P-C4'-P energy: -20.329
tors. eta vs tors. theta energy: -34.705
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: 4
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -331.496059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.496059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.496059 (E_RNA)
where:
Base-Base interactions energy: -211.203
where: short stacking energy: -99.370
Base-Backbone interact. energy: -0.153
local terms energy: -120.139793
where:
bonds (distance) C4'-P energy: -23.302
bonds (distance) P-C4' energy: -28.668
flat angles C4'-P-C4' energy: -23.862
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -27.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -203.750971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.750971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.750971 (E_RNA)
where:
Base-Base interactions energy: -103.975
where: short stacking energy: -61.030
Base-Backbone interact. energy: -0.712
local terms energy: -99.064491
where:
bonds (distance) C4'-P energy: -21.853
bonds (distance) P-C4' energy: -26.106
flat angles C4'-P-C4' energy: -25.025
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -10.570
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: 7
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -136.968306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.968306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.968306 (E_RNA)
where:
Base-Base interactions energy: -51.325
where: short stacking energy: -47.903
Base-Backbone interact. energy: -0.959
local terms energy: -84.683687
where:
bonds (distance) C4'-P energy: -21.814
bonds (distance) P-C4' energy: -29.036
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -18.858
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: 9
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -531.909326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.909326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.909326 (E_RNA)
where:
Base-Base interactions energy: -379.048
where: short stacking energy: -152.286
Base-Backbone interact. energy: -0.007
local terms energy: -152.854116
where:
bonds (distance) C4'-P energy: -26.591
bonds (distance) P-C4' energy: -24.630
flat angles C4'-P-C4' energy: -28.170
flat angles P-C4'-P energy: -26.401
tors. eta vs tors. theta energy: -47.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -540.092701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.092701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.092701 (E_RNA)
where:
Base-Base interactions energy: -377.944
where: short stacking energy: -154.043
Base-Backbone interact. energy: -0.247
local terms energy: -161.901180
where:
bonds (distance) C4'-P energy: -27.823
bonds (distance) P-C4' energy: -30.612
flat angles C4'-P-C4' energy: -32.460
flat angles P-C4'-P energy: -23.164
tors. eta vs tors. theta energy: -47.841
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: 8
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -530.462551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.462551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.462551 (E_RNA)
where:
Base-Base interactions energy: -381.453
where: short stacking energy: -145.578
Base-Backbone interact. energy: -0.103
local terms energy: -148.906096
where:
bonds (distance) C4'-P energy: -27.405
bonds (distance) P-C4' energy: -21.756
flat angles C4'-P-C4' energy: -29.009
flat angles P-C4'-P energy: -24.513
tors. eta vs tors. theta energy: -46.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -522.478548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.478548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.478548 (E_RNA)
where:
Base-Base interactions energy: -367.379
where: short stacking energy: -145.884
Base-Backbone interact. energy: -0.456
local terms energy: -154.643129
where:
bonds (distance) C4'-P energy: -25.984
bonds (distance) P-C4' energy: -33.262
flat angles C4'-P-C4' energy: -30.379
flat angles P-C4'-P energy: -19.645
tors. eta vs tors. theta energy: -45.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -462.677380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.677380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.677380 (E_RNA)
where:
Base-Base interactions energy: -316.046
where: short stacking energy: -146.660
Base-Backbone interact. energy: -0.076
local terms energy: -146.555476
where:
bonds (distance) C4'-P energy: -27.858
bonds (distance) P-C4' energy: -23.242
flat angles C4'-P-C4' energy: -30.973
flat angles P-C4'-P energy: -17.032
tors. eta vs tors. theta energy: -47.450
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: 6
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -438.531752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.531752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.531752 (E_RNA)
where:
Base-Base interactions energy: -309.762
where: short stacking energy: -128.734
Base-Backbone interact. energy: 0.947
local terms energy: -129.716183
where:
bonds (distance) C4'-P energy: -20.456
bonds (distance) P-C4' energy: -26.849
flat angles C4'-P-C4' energy: -26.872
flat angles P-C4'-P energy: -19.673
tors. eta vs tors. theta energy: -35.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -418.652552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.652552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.652552 (E_RNA)
where:
Base-Base interactions energy: -289.759
where: short stacking energy: -126.127
Base-Backbone interact. energy: -1.010
local terms energy: -127.883275
where:
bonds (distance) C4'-P energy: -27.206
bonds (distance) P-C4' energy: -22.274
flat angles C4'-P-C4' energy: -28.105
flat angles P-C4'-P energy: -14.548
tors. eta vs tors. theta energy: -35.750
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: 8, replica: 4
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -329.123441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.123441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.123441 (E_RNA)
where:
Base-Base interactions energy: -221.368
where: short stacking energy: -106.645
Base-Backbone interact. energy: -0.296
local terms energy: -107.459274
where:
bonds (distance) C4'-P energy: -23.842
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -27.428
flat angles P-C4'-P energy: -16.730
tors. eta vs tors. theta energy: -21.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -195.934950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.934950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.934950 (E_RNA)
where:
Base-Base interactions energy: -106.547
where: short stacking energy: -52.302
Base-Backbone interact. energy: 0.532
local terms energy: -89.919382
where:
bonds (distance) C4'-P energy: -25.315
bonds (distance) P-C4' energy: -24.649
flat angles C4'-P-C4' energy: -26.994
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -0.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -124.553317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.553317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.553317 (E_RNA)
where:
Base-Base interactions energy: -47.596
where: short stacking energy: -43.143
Base-Backbone interact. energy: -0.259
local terms energy: -76.697525
where:
bonds (distance) C4'-P energy: -20.179
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -25.686
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -534.549091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.549091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.549091 (E_RNA)
where:
Base-Base interactions energy: -383.991
where: short stacking energy: -153.049
Base-Backbone interact. energy: -0.488
local terms energy: -150.070334
where:
bonds (distance) C4'-P energy: -26.353
bonds (distance) P-C4' energy: -33.479
flat angles C4'-P-C4' energy: -27.053
flat angles P-C4'-P energy: -20.425
tors. eta vs tors. theta energy: -42.760
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: 448
Temperature: 0.950000
Total energy: -530.584776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.584776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.584776 (E_RNA)
where:
Base-Base interactions energy: -377.481
where: short stacking energy: -159.895
Base-Backbone interact. energy: -0.043
local terms energy: -153.060958
where:
bonds (distance) C4'-P energy: -25.084
bonds (distance) P-C4' energy: -30.080
flat angles C4'-P-C4' energy: -30.769
flat angles P-C4'-P energy: -21.972
tors. eta vs tors. theta energy: -45.157
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: 3, replica: 8
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -519.996996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.996996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.996996 (E_RNA)
where:
Base-Base interactions energy: -369.211
where: short stacking energy: -149.493
Base-Backbone interact. energy: -0.011
local terms energy: -150.774947
where:
bonds (distance) C4'-P energy: -30.718
bonds (distance) P-C4' energy: -25.587
flat angles C4'-P-C4' energy: -26.590
flat angles P-C4'-P energy: -20.995
tors. eta vs tors. theta energy: -46.884
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: 4, replica: 2
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -509.134575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.134575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.134575 (E_RNA)
where:
Base-Base interactions energy: -361.626
where: short stacking energy: -154.088
Base-Backbone interact. energy: -0.599
local terms energy: -146.909170
where:
bonds (distance) C4'-P energy: -25.811
bonds (distance) P-C4' energy: -24.301
flat angles C4'-P-C4' energy: -30.149
flat angles P-C4'-P energy: -20.712
tors. eta vs tors. theta energy: -45.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -454.196841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.196841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.196841 (E_RNA)
where:
Base-Base interactions energy: -310.874
where: short stacking energy: -128.239
Base-Backbone interact. energy: -0.007
local terms energy: -143.316169
where:
bonds (distance) C4'-P energy: -26.525
bonds (distance) P-C4' energy: -27.403
flat angles C4'-P-C4' energy: -26.063
flat angles P-C4'-P energy: -24.220
tors. eta vs tors. theta energy: -39.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -456.284816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.284816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.284816 (E_RNA)
where:
Base-Base interactions energy: -319.557
where: short stacking energy: -131.980
Base-Backbone interact. energy: -0.088
local terms energy: -136.639919
where:
bonds (distance) C4'-P energy: -20.211
bonds (distance) P-C4' energy: -31.766
flat angles C4'-P-C4' energy: -26.072
flat angles P-C4'-P energy: -20.915
tors. eta vs tors. theta energy: -37.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -402.592154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.592154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.592154 (E_RNA)
where:
Base-Base interactions energy: -264.629
where: short stacking energy: -116.687
Base-Backbone interact. energy: -0.680
local terms energy: -137.283827
where:
bonds (distance) C4'-P energy: -27.982
bonds (distance) P-C4' energy: -29.959
flat angles C4'-P-C4' energy: -28.312
flat angles P-C4'-P energy: -18.205
tors. eta vs tors. theta energy: -32.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -325.313428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.313428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.313428 (E_RNA)
where:
Base-Base interactions energy: -211.294
where: short stacking energy: -86.970
Base-Backbone interact. energy: -2.112
local terms energy: -111.908218
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -28.909
flat angles C4'-P-C4' energy: -22.891
flat angles P-C4'-P energy: -16.988
tors. eta vs tors. theta energy: -19.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -202.516321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.516321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.516321 (E_RNA)
where:
Base-Base interactions energy: -105.244
where: short stacking energy: -58.863
Base-Backbone interact. energy: -0.284
local terms energy: -96.988316
where:
bonds (distance) C4'-P energy: -23.006
bonds (distance) P-C4' energy: -27.777
flat angles C4'-P-C4' energy: -27.630
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -7.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -133.410479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.410479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.410479 (E_RNA)
where:
Base-Base interactions energy: -48.462
where: short stacking energy: -48.462
Base-Backbone interact. energy: -0.514
local terms energy: -84.435215
where:
bonds (distance) C4'-P energy: -26.863
bonds (distance) P-C4' energy: -21.635
flat angles C4'-P-C4' energy: -21.986
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -4.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -530.668798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.668798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.668798 (E_RNA)
where:
Base-Base interactions energy: -374.425
where: short stacking energy: -150.038
Base-Backbone interact. energy: -0.982
local terms energy: -155.262137
where:
bonds (distance) C4'-P energy: -32.070
bonds (distance) P-C4' energy: -24.747
flat angles C4'-P-C4' energy: -31.860
flat angles P-C4'-P energy: -20.692
tors. eta vs tors. theta energy: -45.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -528.951237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.951237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.951237 (E_RNA)
where:
Base-Base interactions energy: -366.747
where: short stacking energy: -150.136
Base-Backbone interact. energy: 0.077
local terms energy: -162.281542
where:
bonds (distance) C4'-P energy: -27.589
bonds (distance) P-C4' energy: -31.556
flat angles C4'-P-C4' energy: -34.681
flat angles P-C4'-P energy: -23.764
tors. eta vs tors. theta energy: -44.691
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: 9
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -524.831573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.831573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.831573 (E_RNA)
where:
Base-Base interactions energy: -367.746
where: short stacking energy: -149.183
Base-Backbone interact. energy: -0.584
local terms energy: -156.501526
where:
bonds (distance) C4'-P energy: -27.891
bonds (distance) P-C4' energy: -27.269
flat angles C4'-P-C4' energy: -32.747
flat angles P-C4'-P energy: -24.202
tors. eta vs tors. theta energy: -44.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -510.887133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.887133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.887133 (E_RNA)
where:
Base-Base interactions energy: -359.484
where: short stacking energy: -147.667
Base-Backbone interact. energy: -0.620
local terms energy: -150.783018
where:
bonds (distance) C4'-P energy: -23.027
bonds (distance) P-C4' energy: -25.026
flat angles C4'-P-C4' energy: -34.888
flat angles P-C4'-P energy: -24.557
tors. eta vs tors. theta energy: -43.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -462.982541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.982541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.982541 (E_RNA)
where:
Base-Base interactions energy: -318.429
where: short stacking energy: -128.926
Base-Backbone interact. energy: -0.673
local terms energy: -143.881077
where:
bonds (distance) C4'-P energy: -26.673
bonds (distance) P-C4' energy: -21.618
flat angles C4'-P-C4' energy: -33.405
flat angles P-C4'-P energy: -19.943
tors. eta vs tors. theta energy: -42.242
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: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -484.171734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.171734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.171734 (E_RNA)
where:
Base-Base interactions energy: -350.728
where: short stacking energy: -157.275
Base-Backbone interact. energy: -0.018
local terms energy: -133.425407
where:
bonds (distance) C4'-P energy: -23.261
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: -24.278
flat angles P-C4'-P energy: -25.341
tors. eta vs tors. theta energy: -43.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -412.669954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.669954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.669954 (E_RNA)
where:
Base-Base interactions energy: -266.339
where: short stacking energy: -122.892
Base-Backbone interact. energy: -0.050
local terms energy: -146.280808
where:
bonds (distance) C4'-P energy: -25.621
bonds (distance) P-C4' energy: -29.907
flat angles C4'-P-C4' energy: -30.041
flat angles P-C4'-P energy: -27.148
tors. eta vs tors. theta energy: -33.563
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: 4
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -337.079039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.079039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.079039 (E_RNA)
where:
Base-Base interactions energy: -229.250
where: short stacking energy: -114.382
Base-Backbone interact. energy: -0.871
local terms energy: -106.958207
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -25.762
flat angles C4'-P-C4' energy: -26.060
flat angles P-C4'-P energy: -5.169
tors. eta vs tors. theta energy: -33.055
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: 1
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -224.333043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.333043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.333043 (E_RNA)
where:
Base-Base interactions energy: -126.587
where: short stacking energy: -74.333
Base-Backbone interact. energy: -0.235
local terms energy: -97.510423
where:
bonds (distance) C4'-P energy: -25.909
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -24.739
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -10.959
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: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -134.868424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.868424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.868424 (E_RNA)
where:
Base-Base interactions energy: -61.265
where: short stacking energy: -48.687
Base-Backbone interact. energy: -0.960
local terms energy: -72.643874
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -25.066
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: 0.466
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: 8
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -540.352609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.352609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.352609 (E_RNA)
where:
Base-Base interactions energy: -378.267
where: short stacking energy: -158.896
Base-Backbone interact. energy: -0.797
local terms energy: -161.288316
where:
bonds (distance) C4'-P energy: -29.322
bonds (distance) P-C4' energy: -26.851
flat angles C4'-P-C4' energy: -33.358
flat angles P-C4'-P energy: -23.601
tors. eta vs tors. theta energy: -48.156
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: 2, replica: 10
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -535.163280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.163280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.163280 (E_RNA)
where:
Base-Base interactions energy: -369.608
where: short stacking energy: -157.026
Base-Backbone interact. energy: -0.666
local terms energy: -164.889438
where:
bonds (distance) C4'-P energy: -30.420
bonds (distance) P-C4' energy: -31.380
flat angles C4'-P-C4' energy: -32.498
flat angles P-C4'-P energy: -23.434
tors. eta vs tors. theta energy: -47.158
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: 3, replica: 2
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -519.301380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.301380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.301380 (E_RNA)
where:
Base-Base interactions energy: -363.962
where: short stacking energy: -149.694
Base-Backbone interact. energy: -0.004
local terms energy: -155.335006
where:
bonds (distance) C4'-P energy: -23.357
bonds (distance) P-C4' energy: -30.808
flat angles C4'-P-C4' energy: -34.519
flat angles P-C4'-P energy: -20.783
tors. eta vs tors. theta energy: -45.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -505.419582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.419582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.419582 (E_RNA)
where:
Base-Base interactions energy: -358.969
where: short stacking energy: -137.430
Base-Backbone interact. energy: -0.036
local terms energy: -146.414199
where:
bonds (distance) C4'-P energy: -28.136
bonds (distance) P-C4' energy: -20.234
flat angles C4'-P-C4' energy: -29.969
flat angles P-C4'-P energy: -22.289
tors. eta vs tors. theta energy: -45.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -493.995958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.995958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.995958 (E_RNA)
where:
Base-Base interactions energy: -352.829
where: short stacking energy: -145.758
Base-Backbone interact. energy: -0.029
local terms energy: -141.138297
where:
bonds (distance) C4'-P energy: -22.054
bonds (distance) P-C4' energy: -25.882
flat angles C4'-P-C4' energy: -32.763
flat angles P-C4'-P energy: -13.952
tors. eta vs tors. theta energy: -46.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -462.759205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.759205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.759205 (E_RNA)
where:
Base-Base interactions energy: -320.302
where: short stacking energy: -131.657
Base-Backbone interact. energy: -0.085
local terms energy: -142.372593
where:
bonds (distance) C4'-P energy: -28.422
bonds (distance) P-C4' energy: -25.632
flat angles C4'-P-C4' energy: -32.444
flat angles P-C4'-P energy: -21.004
tors. eta vs tors. theta energy: -34.871
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: 3
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -419.195604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.195604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.195604 (E_RNA)
where:
Base-Base interactions energy: -285.177
where: short stacking energy: -121.601
Base-Backbone interact. energy: -0.062
local terms energy: -133.956485
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -27.079
flat angles C4'-P-C4' energy: -31.607
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: -39.464
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: 4
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -353.284895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.284895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.284895 (E_RNA)
where:
Base-Base interactions energy: -230.118
where: short stacking energy: -98.748
Base-Backbone interact. energy: -1.245
local terms energy: -121.922252
where:
bonds (distance) C4'-P energy: -24.305
bonds (distance) P-C4' energy: -33.165
flat angles C4'-P-C4' energy: -25.743
flat angles P-C4'-P energy: -19.076
tors. eta vs tors. theta energy: -19.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -197.270484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.270484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.270484 (E_RNA)
where:
Base-Base interactions energy: -122.758
where: short stacking energy: -74.244
Base-Backbone interact. energy: -0.910
local terms energy: -73.602445
where:
bonds (distance) C4'-P energy: -22.807
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -7.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -132.890071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.890071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.890071 (E_RNA)
where:
Base-Base interactions energy: -58.977
where: short stacking energy: -45.307
Base-Backbone interact. energy: -0.575
local terms energy: -73.338683
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -22.702
flat angles C4'-P-C4' energy: -21.921
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: 0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -531.759013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.759013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.759013 (E_RNA)
where:
Base-Base interactions energy: -373.973
where: short stacking energy: -159.666
Base-Backbone interact. energy: -0.086
local terms energy: -157.699983
where:
bonds (distance) C4'-P energy: -29.774
bonds (distance) P-C4' energy: -30.994
flat angles C4'-P-C4' energy: -28.065
flat angles P-C4'-P energy: -22.272
tors. eta vs tors. theta energy: -46.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -530.535729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.535729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.535729 (E_RNA)
where:
Base-Base interactions energy: -369.862
where: short stacking energy: -152.024
Base-Backbone interact. energy: -0.593
local terms energy: -160.081222
where:
bonds (distance) C4'-P energy: -29.312
bonds (distance) P-C4' energy: -33.440
flat angles C4'-P-C4' energy: -28.000
flat angles P-C4'-P energy: -21.070
tors. eta vs tors. theta energy: -48.259
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: 10
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -514.973906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.973906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.973906 (E_RNA)
where:
Base-Base interactions energy: -367.092
where: short stacking energy: -152.302
Base-Backbone interact. energy: -0.196
local terms energy: -147.685861
where:
bonds (distance) C4'-P energy: -25.369
bonds (distance) P-C4' energy: -26.748
flat angles C4'-P-C4' energy: -27.047
flat angles P-C4'-P energy: -22.722
tors. eta vs tors. theta energy: -45.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -507.484111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.484111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.484111 (E_RNA)
where:
Base-Base interactions energy: -356.329
where: short stacking energy: -154.757
Base-Backbone interact. energy: -0.097
local terms energy: -151.058124
where:
bonds (distance) C4'-P energy: -28.962
bonds (distance) P-C4' energy: -31.169
flat angles C4'-P-C4' energy: -27.186
flat angles P-C4'-P energy: -22.846
tors. eta vs tors. theta energy: -40.895
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: 5
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -494.909075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.909075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.909075 (E_RNA)
where:
Base-Base interactions energy: -360.785
where: short stacking energy: -147.104
Base-Backbone interact. energy: -0.098
local terms energy: -134.026204
where:
bonds (distance) C4'-P energy: -19.718
bonds (distance) P-C4' energy: -19.598
flat angles C4'-P-C4' energy: -32.143
flat angles P-C4'-P energy: -19.277
tors. eta vs tors. theta energy: -43.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -446.906356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.906356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.906356 (E_RNA)
where:
Base-Base interactions energy: -307.121
where: short stacking energy: -139.568
Base-Backbone interact. energy: 0.943
local terms energy: -140.728400
where:
bonds (distance) C4'-P energy: -26.673
bonds (distance) P-C4' energy: -25.213
flat angles C4'-P-C4' energy: -25.326
flat angles P-C4'-P energy: -25.412
tors. eta vs tors. theta energy: -38.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -414.409254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.409254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.409254 (E_RNA)
where:
Base-Base interactions energy: -287.860
where: short stacking energy: -125.760
Base-Backbone interact. energy: -0.324
local terms energy: -126.225053
where:
bonds (distance) C4'-P energy: -18.089
bonds (distance) P-C4' energy: -29.471
flat angles C4'-P-C4' energy: -25.510
flat angles P-C4'-P energy: -16.468
tors. eta vs tors. theta energy: -36.688
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: 4
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -344.256298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.256298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.256298 (E_RNA)
where:
Base-Base interactions energy: -222.018
where: short stacking energy: -98.565
Base-Backbone interact. energy: -0.098
local terms energy: -122.139494
where:
bonds (distance) C4'-P energy: -33.826
bonds (distance) P-C4' energy: -24.706
flat angles C4'-P-C4' energy: -25.432
flat angles P-C4'-P energy: -15.675
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: 9, replica: 1
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -203.710697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.710697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.710697 (E_RNA)
where:
Base-Base interactions energy: -99.869
where: short stacking energy: -58.816
Base-Backbone interact. energy: -0.042
local terms energy: -103.799750
where:
bonds (distance) C4'-P energy: -19.106
bonds (distance) P-C4' energy: -26.755
flat angles C4'-P-C4' energy: -31.006
flat angles P-C4'-P energy: -15.856
tors. eta vs tors. theta energy: -11.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -128.530300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.530300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.530300 (E_RNA)
where:
Base-Base interactions energy: -46.070
where: short stacking energy: -46.038
Base-Backbone interact. energy: 0.034
local terms energy: -82.494362
where:
bonds (distance) C4'-P energy: -29.998
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -4.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -542.425740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.425740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.425740 (E_RNA)
where:
Base-Base interactions energy: -380.915
where: short stacking energy: -150.911
Base-Backbone interact. energy: -0.107
local terms energy: -161.403227
where:
bonds (distance) C4'-P energy: -26.193
bonds (distance) P-C4' energy: -31.409
flat angles C4'-P-C4' energy: -32.683
flat angles P-C4'-P energy: -24.347
tors. eta vs tors. theta energy: -46.772
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: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -524.928231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.928231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.928231 (E_RNA)
where:
Base-Base interactions energy: -378.094
where: short stacking energy: -164.057
Base-Backbone interact. energy: -0.295
local terms energy: -146.539007
where:
bonds (distance) C4'-P energy: -23.780
bonds (distance) P-C4' energy: -26.347
flat angles C4'-P-C4' energy: -31.054
flat angles P-C4'-P energy: -19.309
tors. eta vs tors. theta energy: -46.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -517.223041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.223041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.223041 (E_RNA)
where:
Base-Base interactions energy: -372.880
where: short stacking energy: -156.861
Base-Backbone interact. energy: -0.075
local terms energy: -144.268040
where:
bonds (distance) C4'-P energy: -28.384
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -30.993
flat angles P-C4'-P energy: -23.715
tors. eta vs tors. theta energy: -42.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -516.505767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.505767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.505767 (E_RNA)
where:
Base-Base interactions energy: -379.072
where: short stacking energy: -144.998
Base-Backbone interact. energy: -0.198
local terms energy: -137.236024
where:
bonds (distance) C4'-P energy: -21.034
bonds (distance) P-C4' energy: -24.680
flat angles C4'-P-C4' energy: -26.846
flat angles P-C4'-P energy: -20.175
tors. eta vs tors. theta energy: -44.501
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: 452
Temperature: 1.100000
Total energy: -499.499551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.499551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.499551 (E_RNA)
where:
Base-Base interactions energy: -347.609
where: short stacking energy: -153.014
Base-Backbone interact. energy: -0.744
local terms energy: -151.146993
where:
bonds (distance) C4'-P energy: -25.275
bonds (distance) P-C4' energy: -23.647
flat angles C4'-P-C4' energy: -33.723
flat angles P-C4'-P energy: -21.125
tors. eta vs tors. theta energy: -47.378
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: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -437.836007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.836007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.836007 (E_RNA)
where:
Base-Base interactions energy: -300.786
where: short stacking energy: -139.529
Base-Backbone interact. energy: -0.618
local terms energy: -136.432106
where:
bonds (distance) C4'-P energy: -21.713
bonds (distance) P-C4' energy: -21.818
flat angles C4'-P-C4' energy: -31.006
flat angles P-C4'-P energy: -23.139
tors. eta vs tors. theta energy: -38.756
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: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -415.993359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.993359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.993359 (E_RNA)
where:
Base-Base interactions energy: -279.301
where: short stacking energy: -124.761
Base-Backbone interact. energy: -0.721
local terms energy: -135.972218
where:
bonds (distance) C4'-P energy: -21.983
bonds (distance) P-C4' energy: -23.703
flat angles C4'-P-C4' energy: -29.695
flat angles P-C4'-P energy: -20.304
tors. eta vs tors. theta energy: -40.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -333.461885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.461885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.461885 (E_RNA)
where:
Base-Base interactions energy: -216.396
where: short stacking energy: -93.137
Base-Backbone interact. energy: -1.078
local terms energy: -115.987628
where:
bonds (distance) C4'-P energy: -23.917
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -23.214
flat angles P-C4'-P energy: -19.330
tors. eta vs tors. theta energy: -27.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -236.413251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.413251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.413251 (E_RNA)
where:
Base-Base interactions energy: -135.173
where: short stacking energy: -74.218
Base-Backbone interact. energy: 1.673
local terms energy: -102.913809
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -30.653
flat angles C4'-P-C4' energy: -27.270
flat angles P-C4'-P energy: -15.565
tors. eta vs tors. theta energy: -8.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -140.355857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.355857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.355857 (E_RNA)
where:
Base-Base interactions energy: -59.990
where: short stacking energy: -57.391
Base-Backbone interact. energy: 0.444
local terms energy: -80.810361
where:
bonds (distance) C4'-P energy: -22.342
bonds (distance) P-C4' energy: -29.163
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -11.980
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: 8
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -535.180024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.180024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.180024 (E_RNA)
where:
Base-Base interactions energy: -382.808
where: short stacking energy: -159.831
Base-Backbone interact. energy: 0.419
local terms energy: -152.791031
where:
bonds (distance) C4'-P energy: -31.686
bonds (distance) P-C4' energy: -21.474
flat angles C4'-P-C4' energy: -31.010
flat angles P-C4'-P energy: -22.807
tors. eta vs tors. theta energy: -45.813
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: 9
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -511.994979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.994979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.994979 (E_RNA)
where:
Base-Base interactions energy: -358.947
where: short stacking energy: -135.023
Base-Backbone interact. energy: -0.795
local terms energy: -152.252993
where:
bonds (distance) C4'-P energy: -31.981
bonds (distance) P-C4' energy: -26.329
flat angles C4'-P-C4' energy: -31.459
flat angles P-C4'-P energy: -21.742
tors. eta vs tors. theta energy: -40.742
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: 2
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -526.332131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.332131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.332131 (E_RNA)
where:
Base-Base interactions energy: -369.092
where: short stacking energy: -155.685
Base-Backbone interact. energy: -0.078
local terms energy: -157.161521
where:
bonds (distance) C4'-P energy: -27.886
bonds (distance) P-C4' energy: -23.459
flat angles C4'-P-C4' energy: -32.465
flat angles P-C4'-P energy: -25.270
tors. eta vs tors. theta energy: -48.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -514.070576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.070576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.070576 (E_RNA)
where:
Base-Base interactions energy: -373.858
where: short stacking energy: -147.148
Base-Backbone interact. energy: -0.040
local terms energy: -140.172439
where:
bonds (distance) C4'-P energy: -23.841
bonds (distance) P-C4' energy: -24.586
flat angles C4'-P-C4' energy: -28.028
flat angles P-C4'-P energy: -16.339
tors. eta vs tors. theta energy: -47.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -482.271921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.271921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.271921 (E_RNA)
where:
Base-Base interactions energy: -344.947
where: short stacking energy: -144.465
Base-Backbone interact. energy: -0.312
local terms energy: -137.012760
where:
bonds (distance) C4'-P energy: -26.685
bonds (distance) P-C4' energy: -23.887
flat angles C4'-P-C4' energy: -33.224
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -39.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -440.114705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.114705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.114705 (E_RNA)
where:
Base-Base interactions energy: -310.653
where: short stacking energy: -132.465
Base-Backbone interact. energy: -0.938
local terms energy: -128.524061
where:
bonds (distance) C4'-P energy: -23.068
bonds (distance) P-C4' energy: -28.254
flat angles C4'-P-C4' energy: -26.848
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -33.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -394.690778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.690778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.690778 (E_RNA)
where:
Base-Base interactions energy: -254.085
where: short stacking energy: -115.199
Base-Backbone interact. energy: -1.257
local terms energy: -139.348597
where:
bonds (distance) C4'-P energy: -28.248
bonds (distance) P-C4' energy: -24.559
flat angles C4'-P-C4' energy: -31.450
flat angles P-C4'-P energy: -17.750
tors. eta vs tors. theta energy: -37.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -332.225372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.225372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.225372 (E_RNA)
where:
Base-Base interactions energy: -221.291
where: short stacking energy: -92.777
Base-Backbone interact. energy: 1.794
local terms energy: -112.728325
where:
bonds (distance) C4'-P energy: -30.037
bonds (distance) P-C4' energy: -19.794
flat angles C4'-P-C4' energy: -25.537
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -26.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -198.151338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.151338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.151338 (E_RNA)
where:
Base-Base interactions energy: -96.652
where: short stacking energy: -58.167
Base-Backbone interact. energy: -0.844
local terms energy: -100.655203
where:
bonds (distance) C4'-P energy: -26.254
bonds (distance) P-C4' energy: -18.750
flat angles C4'-P-C4' energy: -28.724
flat angles P-C4'-P energy: -17.796
tors. eta vs tors. theta energy: -9.130
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: 10, replica: 7
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -136.512336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.512336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.512336 (E_RNA)
where:
Base-Base interactions energy: -46.988
where: short stacking energy: -41.309
Base-Backbone interact. energy: -2.185
local terms energy: -87.339407
where:
bonds (distance) C4'-P energy: -21.454
bonds (distance) P-C4' energy: -24.700
flat angles C4'-P-C4' energy: -22.290
flat angles P-C4'-P energy: -14.934
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: 1, replica: 8
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -534.816626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.816626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.816626 (E_RNA)
where:
Base-Base interactions energy: -372.106
where: short stacking energy: -151.868
Base-Backbone interact. energy: -0.952
local terms energy: -161.758083
where:
bonds (distance) C4'-P energy: -26.886
bonds (distance) P-C4' energy: -30.632
flat angles C4'-P-C4' energy: -34.602
flat angles P-C4'-P energy: -20.937
tors. eta vs tors. theta energy: -48.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -519.183630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.183630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.183630 (E_RNA)
where:
Base-Base interactions energy: -379.884
where: short stacking energy: -149.840
Base-Backbone interact. energy: -0.118
local terms energy: -139.182484
where:
bonds (distance) C4'-P energy: -24.003
bonds (distance) P-C4' energy: -25.191
flat angles C4'-P-C4' energy: -29.008
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: -40.305
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: 454
Temperature: 1.000000
Total energy: -535.219195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.219195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.219195 (E_RNA)
where:
Base-Base interactions energy: -371.814
where: short stacking energy: -164.736
Base-Backbone interact. energy: -0.261
local terms energy: -163.144590
where:
bonds (distance) C4'-P energy: -27.917
bonds (distance) P-C4' energy: -29.379
flat angles C4'-P-C4' energy: -31.990
flat angles P-C4'-P energy: -24.530
tors. eta vs tors. theta energy: -49.329
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: 10
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -517.858344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.858344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.858344 (E_RNA)
where:
Base-Base interactions energy: -365.748
where: short stacking energy: -139.878
Base-Backbone interact. energy: -0.537
local terms energy: -151.573343
where:
bonds (distance) C4'-P energy: -23.617
bonds (distance) P-C4' energy: -27.178
flat angles C4'-P-C4' energy: -32.111
flat angles P-C4'-P energy: -21.681
tors. eta vs tors. theta energy: -46.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -482.165192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.165192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.165192 (E_RNA)
where:
Base-Base interactions energy: -336.235
where: short stacking energy: -149.917
Base-Backbone interact. energy: -0.061
local terms energy: -145.869253
where:
bonds (distance) C4'-P energy: -24.238
bonds (distance) P-C4' energy: -24.263
flat angles C4'-P-C4' energy: -27.255
flat angles P-C4'-P energy: -22.591
tors. eta vs tors. theta energy: -47.522
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: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -428.333849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.333849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.333849 (E_RNA)
where:
Base-Base interactions energy: -301.442
where: short stacking energy: -125.695
Base-Backbone interact. energy: -0.391
local terms energy: -126.501424
where:
bonds (distance) C4'-P energy: -21.283
bonds (distance) P-C4' energy: -21.550
flat angles C4'-P-C4' energy: -31.141
flat angles P-C4'-P energy: -16.160
tors. eta vs tors. theta energy: -36.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -424.177695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.177695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.177695 (E_RNA)
where:
Base-Base interactions energy: -289.621
where: short stacking energy: -121.283
Base-Backbone interact. energy: -1.485
local terms energy: -133.072552
where:
bonds (distance) C4'-P energy: -24.298
bonds (distance) P-C4' energy: -29.457
flat angles C4'-P-C4' energy: -30.630
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -35.315
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: 4
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -430.060985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.060985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.060985 (E_RNA)
where:
Base-Base interactions energy: -312.409
where: short stacking energy: -122.853
Base-Backbone interact. energy: -0.244
local terms energy: -117.407526
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -23.326
flat angles C4'-P-C4' energy: -28.106
flat angles P-C4'-P energy: -17.995
tors. eta vs tors. theta energy: -33.398
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: 9, replica: 1
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -237.596319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.596319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.596319 (E_RNA)
where:
Base-Base interactions energy: -118.970
where: short stacking energy: -62.874
Base-Backbone interact. energy: -0.759
local terms energy: -117.867331
where:
bonds (distance) C4'-P energy: -28.519
bonds (distance) P-C4' energy: -26.166
flat angles C4'-P-C4' energy: -28.366
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -20.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -127.305473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.305473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.305473 (E_RNA)
where:
Base-Base interactions energy: -38.009
where: short stacking energy: -36.844
Base-Backbone interact. energy: -1.426
local terms energy: -87.870797
where:
bonds (distance) C4'-P energy: -27.623
bonds (distance) P-C4' energy: -22.501
flat angles C4'-P-C4' energy: -24.245
flat angles P-C4'-P energy: -13.504
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: 8
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -542.592769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.592769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.592769 (E_RNA)
where:
Base-Base interactions energy: -384.026
where: short stacking energy: -148.177
Base-Backbone interact. energy: 0.061
local terms energy: -158.628490
where:
bonds (distance) C4'-P energy: -28.087
bonds (distance) P-C4' energy: -30.421
flat angles C4'-P-C4' energy: -36.116
flat angles P-C4'-P energy: -22.051
tors. eta vs tors. theta energy: -41.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -521.792409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.792409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.792409 (E_RNA)
where:
Base-Base interactions energy: -374.303
where: short stacking energy: -153.609
Base-Backbone interact. energy: -1.270
local terms energy: -146.219150
where:
bonds (distance) C4'-P energy: -24.555
bonds (distance) P-C4' energy: -27.296
flat angles C4'-P-C4' energy: -29.167
flat angles P-C4'-P energy: -22.958
tors. eta vs tors. theta energy: -42.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -524.875496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.875496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.875496 (E_RNA)
where:
Base-Base interactions energy: -371.268
where: short stacking energy: -162.246
Base-Backbone interact. energy: -0.668
local terms energy: -152.939795
where:
bonds (distance) C4'-P energy: -26.016
bonds (distance) P-C4' energy: -23.790
flat angles C4'-P-C4' energy: -29.598
flat angles P-C4'-P energy: -25.841
tors. eta vs tors. theta energy: -47.694
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: 4, replica: 5
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -502.550031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.550031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.550031 (E_RNA)
where:
Base-Base interactions energy: -361.377
where: short stacking energy: -140.714
Base-Backbone interact. energy: -1.171
local terms energy: -140.001359
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -25.587
flat angles C4'-P-C4' energy: -31.533
flat angles P-C4'-P energy: -23.200
tors. eta vs tors. theta energy: -46.310
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: 10
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -479.952677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.952677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.952677 (E_RNA)
where:
Base-Base interactions energy: -339.543
where: short stacking energy: -141.144
Base-Backbone interact. energy: -0.421
local terms energy: -139.989274
where:
bonds (distance) C4'-P energy: -23.267
bonds (distance) P-C4' energy: -25.489
flat angles C4'-P-C4' energy: -30.073
flat angles P-C4'-P energy: -20.049
tors. eta vs tors. theta energy: -41.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -449.716424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.716424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.716424 (E_RNA)
where:
Base-Base interactions energy: -316.845
where: short stacking energy: -122.831
Base-Backbone interact. energy: -0.352
local terms energy: -132.519490
where:
bonds (distance) C4'-P energy: -21.310
bonds (distance) P-C4' energy: -26.400
flat angles C4'-P-C4' energy: -29.945
flat angles P-C4'-P energy: -17.269
tors. eta vs tors. theta energy: -37.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -416.718399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.718399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.718399 (E_RNA)
where:
Base-Base interactions energy: -298.198
where: short stacking energy: -128.861
Base-Backbone interact. energy: -0.148
local terms energy: -118.372520
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -30.831
flat angles P-C4'-P energy: -15.697
tors. eta vs tors. theta energy: -37.800
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: 4
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -438.460989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.460989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.460989 (E_RNA)
where:
Base-Base interactions energy: -307.187
where: short stacking energy: -118.627
Base-Backbone interact. energy: -1.040
local terms energy: -130.234179
where:
bonds (distance) C4'-P energy: -21.861
bonds (distance) P-C4' energy: -31.442
flat angles C4'-P-C4' energy: -29.514
flat angles P-C4'-P energy: -18.679
tors. eta vs tors. theta energy: -28.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -197.159914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.159914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.159914 (E_RNA)
where:
Base-Base interactions energy: -103.660
where: short stacking energy: -59.338
Base-Backbone interact. energy: -0.266
local terms energy: -93.233909
where:
bonds (distance) C4'-P energy: -25.883
bonds (distance) P-C4' energy: -24.224
flat angles C4'-P-C4' energy: -27.851
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -5.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -157.742842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.742842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.742842 (E_RNA)
where:
Base-Base interactions energy: -50.456
where: short stacking energy: -34.842
Base-Backbone interact. energy: -0.882
local terms energy: -106.404422
where:
bonds (distance) C4'-P energy: -26.818
bonds (distance) P-C4' energy: -30.649
flat angles C4'-P-C4' energy: -23.845
flat angles P-C4'-P energy: -17.452
tors. eta vs tors. theta energy: -7.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -527.714731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.714731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.714731 (E_RNA)
where:
Base-Base interactions energy: -377.977
where: short stacking energy: -148.630
Base-Backbone interact. energy: -0.043
local terms energy: -149.694923
where:
bonds (distance) C4'-P energy: -21.568
bonds (distance) P-C4' energy: -25.842
flat angles C4'-P-C4' energy: -34.075
flat angles P-C4'-P energy: -23.476
tors. eta vs tors. theta energy: -44.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -532.683981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.683981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.683981 (E_RNA)
where:
Base-Base interactions energy: -367.672
where: short stacking energy: -153.863
Base-Backbone interact. energy: -0.042
local terms energy: -164.969373
where:
bonds (distance) C4'-P energy: -32.834
bonds (distance) P-C4' energy: -31.756
flat angles C4'-P-C4' energy: -31.432
flat angles P-C4'-P energy: -23.465
tors. eta vs tors. theta energy: -45.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -511.609348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.609348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.609348 (E_RNA)
where:
Base-Base interactions energy: -358.631
where: short stacking energy: -157.329
Base-Backbone interact. energy: -0.001
local terms energy: -152.976792
where:
bonds (distance) C4'-P energy: -30.480
bonds (distance) P-C4' energy: -28.483
flat angles C4'-P-C4' energy: -25.222
flat angles P-C4'-P energy: -20.969
tors. eta vs tors. theta energy: -47.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -519.473944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.473944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.473944 (E_RNA)
where:
Base-Base interactions energy: -356.256
where: short stacking energy: -154.460
Base-Backbone interact. energy: -0.033
local terms energy: -163.184034
where:
bonds (distance) C4'-P energy: -29.668
bonds (distance) P-C4' energy: -28.807
flat angles C4'-P-C4' energy: -33.199
flat angles P-C4'-P energy: -24.005
tors. eta vs tors. theta energy: -47.505
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: 10
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -503.503474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.503474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.503474 (E_RNA)
where:
Base-Base interactions energy: -358.193
where: short stacking energy: -145.176
Base-Backbone interact. energy: -0.124
local terms energy: -145.185890
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -29.794
flat angles C4'-P-C4' energy: -31.025
flat angles P-C4'-P energy: -20.745
tors. eta vs tors. theta energy: -43.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -445.190732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.190732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.190732 (E_RNA)
where:
Base-Base interactions energy: -305.263
where: short stacking energy: -126.812
Base-Backbone interact. energy: -0.425
local terms energy: -139.502922
where:
bonds (distance) C4'-P energy: -29.804
bonds (distance) P-C4' energy: -28.026
flat angles C4'-P-C4' energy: -30.667
flat angles P-C4'-P energy: -17.640
tors. eta vs tors. theta energy: -33.365
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: 7, replica: 3
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -396.915262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.915262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.915262 (E_RNA)
where:
Base-Base interactions energy: -268.395
where: short stacking energy: -121.344
Base-Backbone interact. energy: -0.111
local terms energy: -128.410015
where:
bonds (distance) C4'-P energy: -25.410
bonds (distance) P-C4' energy: -28.093
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -19.059
tors. eta vs tors. theta energy: -33.298
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: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -434.493131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.493131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.493131 (E_RNA)
where:
Base-Base interactions energy: -314.916
where: short stacking energy: -113.658
Base-Backbone interact. energy: -0.160
local terms energy: -119.417320
where:
bonds (distance) C4'-P energy: -18.187
bonds (distance) P-C4' energy: -25.451
flat angles C4'-P-C4' energy: -29.465
flat angles P-C4'-P energy: -19.365
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: 9, replica: 1
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -224.098610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.098610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.098610 (E_RNA)
where:
Base-Base interactions energy: -118.451
where: short stacking energy: -71.966
Base-Backbone interact. energy: -0.304
local terms energy: -105.344151
where:
bonds (distance) C4'-P energy: -24.984
bonds (distance) P-C4' energy: -26.337
flat angles C4'-P-C4' energy: -26.835
flat angles P-C4'-P energy: -18.039
tors. eta vs tors. theta energy: -9.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -134.718617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.718617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.718617 (E_RNA)
where:
Base-Base interactions energy: -46.461
where: short stacking energy: -34.589
Base-Backbone interact. energy: -0.053
local terms energy: -88.204337
where:
bonds (distance) C4'-P energy: -25.870
bonds (distance) P-C4' energy: -24.094
flat angles C4'-P-C4' energy: -23.329
flat angles P-C4'-P energy: -16.711
tors. eta vs tors. theta energy: 1.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -524.329159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.329159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.329159 (E_RNA)
where:
Base-Base interactions energy: -372.611
where: short stacking energy: -146.131
Base-Backbone interact. energy: -0.162
local terms energy: -151.555974
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -32.017
flat angles C4'-P-C4' energy: -33.273
flat angles P-C4'-P energy: -21.121
tors. eta vs tors. theta energy: -45.954
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: 5
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -515.683414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.683414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.683414 (E_RNA)
where:
Base-Base interactions energy: -360.706
where: short stacking energy: -145.492
Base-Backbone interact. energy: -0.372
local terms energy: -154.605498
where:
bonds (distance) C4'-P energy: -31.013
bonds (distance) P-C4' energy: -29.049
flat angles C4'-P-C4' energy: -26.797
flat angles P-C4'-P energy: -21.944
tors. eta vs tors. theta energy: -45.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -525.452051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.452051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.452051 (E_RNA)
where:
Base-Base interactions energy: -382.849
where: short stacking energy: -148.485
Base-Backbone interact. energy: -0.742
local terms energy: -141.861035
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -32.473
flat angles C4'-P-C4' energy: -27.937
flat angles P-C4'-P energy: -19.755
tors. eta vs tors. theta energy: -42.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -530.325489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.325489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.325489 (E_RNA)
where:
Base-Base interactions energy: -368.427
where: short stacking energy: -152.727
Base-Backbone interact. energy: -0.076
local terms energy: -161.822650
where:
bonds (distance) C4'-P energy: -31.132
bonds (distance) P-C4' energy: -28.677
flat angles C4'-P-C4' energy: -31.797
flat angles P-C4'-P energy: -21.310
tors. eta vs tors. theta energy: -48.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -505.515207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.515207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.515207 (E_RNA)
where:
Base-Base interactions energy: -361.227
where: short stacking energy: -146.380
Base-Backbone interact. energy: -0.192
local terms energy: -144.096312
where:
bonds (distance) C4'-P energy: -18.662
bonds (distance) P-C4' energy: -28.385
flat angles C4'-P-C4' energy: -31.444
flat angles P-C4'-P energy: -22.509
tors. eta vs tors. theta energy: -43.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -439.470537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.470537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.470537 (E_RNA)
where:
Base-Base interactions energy: -316.910
where: short stacking energy: -127.928
Base-Backbone interact. energy: 0.778
local terms energy: -123.338468
where:
bonds (distance) C4'-P energy: -24.033
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -31.159
flat angles P-C4'-P energy: -18.048
tors. eta vs tors. theta energy: -32.090
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: 3
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -407.678441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.678441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.678441 (E_RNA)
where:
Base-Base interactions energy: -282.923
where: short stacking energy: -122.001
Base-Backbone interact. energy: -0.930
local terms energy: -123.825589
where:
bonds (distance) C4'-P energy: -18.626
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -33.420
flat angles P-C4'-P energy: -20.626
tors. eta vs tors. theta energy: -30.965
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: 4
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -475.580540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.580540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.580540 (E_RNA)
where:
Base-Base interactions energy: -345.613
where: short stacking energy: -144.809
Base-Backbone interact. energy: -0.057
local terms energy: -129.910709
where:
bonds (distance) C4'-P energy: -22.449
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -27.685
flat angles P-C4'-P energy: -20.125
tors. eta vs tors. theta energy: -39.373
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: 1
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -235.382408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.382408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.382408 (E_RNA)
where:
Base-Base interactions energy: -130.331
where: short stacking energy: -79.881
Base-Backbone interact. energy: -0.481
local terms energy: -104.570531
where:
bonds (distance) C4'-P energy: -21.941
bonds (distance) P-C4' energy: -25.333
flat angles C4'-P-C4' energy: -25.767
flat angles P-C4'-P energy: -18.378
tors. eta vs tors. theta energy: -13.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -138.291695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.291695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.291695 (E_RNA)
where:
Base-Base interactions energy: -54.224
where: short stacking energy: -49.659
Base-Backbone interact. energy: -0.636
local terms energy: -83.430936
where:
bonds (distance) C4'-P energy: -26.623
bonds (distance) P-C4' energy: -25.661
flat angles C4'-P-C4' energy: -22.665
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -530.884018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.884018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.884018 (E_RNA)
where:
Base-Base interactions energy: -369.592
where: short stacking energy: -147.134
Base-Backbone interact. energy: -1.370
local terms energy: -159.922878
where:
bonds (distance) C4'-P energy: -34.202
bonds (distance) P-C4' energy: -25.853
flat angles C4'-P-C4' energy: -34.549
flat angles P-C4'-P energy: -20.815
tors. eta vs tors. theta energy: -44.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -523.700895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.700895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.700895 (E_RNA)
where:
Base-Base interactions energy: -371.103
where: short stacking energy: -148.925
Base-Backbone interact. energy: -0.386
local terms energy: -152.212522
where:
bonds (distance) C4'-P energy: -30.004
bonds (distance) P-C4' energy: -28.524
flat angles C4'-P-C4' energy: -29.098
flat angles P-C4'-P energy: -21.977
tors. eta vs tors. theta energy: -42.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -513.875176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.875176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.875176 (E_RNA)
where:
Base-Base interactions energy: -354.343
where: short stacking energy: -154.501
Base-Backbone interact. energy: -0.095
local terms energy: -159.437072
where:
bonds (distance) C4'-P energy: -31.364
bonds (distance) P-C4' energy: -29.084
flat angles C4'-P-C4' energy: -29.093
flat angles P-C4'-P energy: -24.357
tors. eta vs tors. theta energy: -45.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -508.653931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.653931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.653931 (E_RNA)
where:
Base-Base interactions energy: -355.878
where: short stacking energy: -140.174
Base-Backbone interact. energy: 0.014
local terms energy: -152.789619
where:
bonds (distance) C4'-P energy: -23.730
bonds (distance) P-C4' energy: -30.646
flat angles C4'-P-C4' energy: -32.710
flat angles P-C4'-P energy: -23.122
tors. eta vs tors. theta energy: -42.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -502.656171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.656171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.656171 (E_RNA)
where:
Base-Base interactions energy: -356.827
where: short stacking energy: -153.402
Base-Backbone interact. energy: -0.216
local terms energy: -145.613271
where:
bonds (distance) C4'-P energy: -26.340
bonds (distance) P-C4' energy: -25.799
flat angles C4'-P-C4' energy: -29.146
flat angles P-C4'-P energy: -20.577
tors. eta vs tors. theta energy: -43.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -439.618688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.618688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.618688 (E_RNA)
where:
Base-Base interactions energy: -299.485
where: short stacking energy: -140.511
Base-Backbone interact. energy: -0.203
local terms energy: -139.931049
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -26.566
flat angles C4'-P-C4' energy: -32.216
flat angles P-C4'-P energy: -16.871
tors. eta vs tors. theta energy: -42.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -482.914262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.914262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.914262 (E_RNA)
where:
Base-Base interactions energy: -347.910
where: short stacking energy: -141.394
Base-Backbone interact. energy: 1.291
local terms energy: -136.295101
where:
bonds (distance) C4'-P energy: -20.910
bonds (distance) P-C4' energy: -27.108
flat angles C4'-P-C4' energy: -31.716
flat angles P-C4'-P energy: -18.470
tors. eta vs tors. theta energy: -38.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -396.273012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.273012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.273012 (E_RNA)
where:
Base-Base interactions energy: -275.448
where: short stacking energy: -123.682
Base-Backbone interact. energy: 0.570
local terms energy: -121.395051
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -22.562
flat angles C4'-P-C4' energy: -22.978
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -38.398
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: 9, replica: 7
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -148.644791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.644791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.644791 (E_RNA)
where:
Base-Base interactions energy: -42.798
where: short stacking energy: -42.079
Base-Backbone interact. energy: -0.735
local terms energy: -105.110941
where:
bonds (distance) C4'-P energy: -27.197
bonds (distance) P-C4' energy: -29.392
flat angles C4'-P-C4' energy: -27.726
flat angles P-C4'-P energy: -15.920
tors. eta vs tors. theta energy: -4.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -202.016643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.016643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.016643 (E_RNA)
where:
Base-Base interactions energy: -103.434
where: short stacking energy: -59.572
Base-Backbone interact. energy: -0.740
local terms energy: -97.842533
where:
bonds (distance) C4'-P energy: -29.319
bonds (distance) P-C4' energy: -23.997
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -528.432971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.432971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.432971 (E_RNA)
where:
Base-Base interactions energy: -367.348
where: short stacking energy: -155.507
Base-Backbone interact. energy: -0.537
local terms energy: -160.548448
where:
bonds (distance) C4'-P energy: -29.434
bonds (distance) P-C4' energy: -31.263
flat angles C4'-P-C4' energy: -32.913
flat angles P-C4'-P energy: -22.543
tors. eta vs tors. theta energy: -44.396
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: 10
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -533.768595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.768595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.768595 (E_RNA)
where:
Base-Base interactions energy: -373.180
where: short stacking energy: -150.622
Base-Backbone interact. energy: -0.528
local terms energy: -160.060085
where:
bonds (distance) C4'-P energy: -27.948
bonds (distance) P-C4' energy: -29.769
flat angles C4'-P-C4' energy: -30.405
flat angles P-C4'-P energy: -23.803
tors. eta vs tors. theta energy: -48.134
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: 9
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -521.886437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.886437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.886437 (E_RNA)
where:
Base-Base interactions energy: -372.147
where: short stacking energy: -141.740
Base-Backbone interact. energy: -0.964
local terms energy: -148.775394
where:
bonds (distance) C4'-P energy: -28.109
bonds (distance) P-C4' energy: -28.577
flat angles C4'-P-C4' energy: -29.209
flat angles P-C4'-P energy: -23.785
tors. eta vs tors. theta energy: -39.095
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: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -509.611602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.611602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.611602 (E_RNA)
where:
Base-Base interactions energy: -364.218
where: short stacking energy: -145.129
Base-Backbone interact. energy: -0.797
local terms energy: -144.596347
where:
bonds (distance) C4'-P energy: -29.675
bonds (distance) P-C4' energy: -27.495
flat angles C4'-P-C4' energy: -30.216
flat angles P-C4'-P energy: -18.674
tors. eta vs tors. theta energy: -38.536
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: 8
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -504.023801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.023801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.023801 (E_RNA)
where:
Base-Base interactions energy: -351.324
where: short stacking energy: -153.017
Base-Backbone interact. energy: -0.017
local terms energy: -152.683043
where:
bonds (distance) C4'-P energy: -28.196
bonds (distance) P-C4' energy: -25.323
flat angles C4'-P-C4' energy: -27.735
flat angles P-C4'-P energy: -22.280
tors. eta vs tors. theta energy: -49.149
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: 459
Temperature: 1.150000
Total energy: -498.147667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.147667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.147667 (E_RNA)
where:
Base-Base interactions energy: -363.417
where: short stacking energy: -149.280
Base-Backbone interact. energy: 0.202
local terms energy: -134.932543
where:
bonds (distance) C4'-P energy: -20.568
bonds (distance) P-C4' energy: -26.968
flat angles C4'-P-C4' energy: -24.868
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -42.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -421.409454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.409454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.409454 (E_RNA)
where:
Base-Base interactions energy: -289.685
where: short stacking energy: -125.873
Base-Backbone interact. energy: -0.516
local terms energy: -131.208293
where:
bonds (distance) C4'-P energy: -20.865
bonds (distance) P-C4' energy: -27.156
flat angles C4'-P-C4' energy: -28.840
flat angles P-C4'-P energy: -18.611
tors. eta vs tors. theta energy: -35.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -396.045741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.045741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.045741 (E_RNA)
where:
Base-Base interactions energy: -272.168
where: short stacking energy: -123.330
Base-Backbone interact. energy: -1.914
local terms energy: -121.964329
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -28.597
flat angles P-C4'-P energy: -23.399
tors. eta vs tors. theta energy: -31.177
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: 7
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -146.819537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.819537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.819537 (E_RNA)
where:
Base-Base interactions energy: -52.628
where: short stacking energy: -48.905
Base-Backbone interact. energy: -0.356
local terms energy: -93.836053
where:
bonds (distance) C4'-P energy: -25.940
bonds (distance) P-C4' energy: -26.906
flat angles C4'-P-C4' energy: -23.019
flat angles P-C4'-P energy: -17.266
tors. eta vs tors. theta energy: -0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -208.028977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.028977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.028977 (E_RNA)
where:
Base-Base interactions energy: -110.302
where: short stacking energy: -60.439
Base-Backbone interact. energy: 0.604
local terms energy: -98.330574
where:
bonds (distance) C4'-P energy: -26.893
bonds (distance) P-C4' energy: -20.342
flat angles C4'-P-C4' energy: -24.997
flat angles P-C4'-P energy: -20.678
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -533.719886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.719886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.719886 (E_RNA)
where:
Base-Base interactions energy: -375.830
where: short stacking energy: -157.896
Base-Backbone interact. energy: -0.330
local terms energy: -157.559898
where:
bonds (distance) C4'-P energy: -24.616
bonds (distance) P-C4' energy: -29.703
flat angles C4'-P-C4' energy: -29.991
flat angles P-C4'-P energy: -26.192
tors. eta vs tors. theta energy: -47.059
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: 460
Temperature: 0.950000
Total energy: -510.959945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.959945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.959945 (E_RNA)
where:
Base-Base interactions energy: -365.963
where: short stacking energy: -153.650
Base-Backbone interact. energy: -0.721
local terms energy: -144.275195
where:
bonds (distance) C4'-P energy: -27.016
bonds (distance) P-C4' energy: -20.692
flat angles C4'-P-C4' energy: -31.362
flat angles P-C4'-P energy: -17.802
tors. eta vs tors. theta energy: -47.404
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: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -514.446722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.446722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.446722 (E_RNA)
where:
Base-Base interactions energy: -368.875
where: short stacking energy: -142.416
Base-Backbone interact. energy: -0.091
local terms energy: -145.480605
where:
bonds (distance) C4'-P energy: -27.821
bonds (distance) P-C4' energy: -28.655
flat angles C4'-P-C4' energy: -30.324
flat angles P-C4'-P energy: -18.531
tors. eta vs tors. theta energy: -40.150
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: 460
Temperature: 1.050000
Total energy: -515.387338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.387338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.387338 (E_RNA)
where:
Base-Base interactions energy: -364.464
where: short stacking energy: -160.627
Base-Backbone interact. energy: -0.012
local terms energy: -150.911808
where:
bonds (distance) C4'-P energy: -27.108
bonds (distance) P-C4' energy: -29.472
flat angles C4'-P-C4' energy: -30.557
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -49.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -506.141703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.141703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.141703 (E_RNA)
where:
Base-Base interactions energy: -358.746
where: short stacking energy: -151.103
Base-Backbone interact. energy: -0.160
local terms energy: -147.235356
where:
bonds (distance) C4'-P energy: -24.699
bonds (distance) P-C4' energy: -26.925
flat angles C4'-P-C4' energy: -31.451
flat angles P-C4'-P energy: -17.380
tors. eta vs tors. theta energy: -46.780
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: 460
Temperature: 1.150000
Total energy: -493.072896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.072896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.072896 (E_RNA)
where:
Base-Base interactions energy: -347.975
where: short stacking energy: -139.618
Base-Backbone interact. energy: -0.032
local terms energy: -145.065917
where:
bonds (distance) C4'-P energy: -26.512
bonds (distance) P-C4' energy: -24.753
flat angles C4'-P-C4' energy: -30.838
flat angles P-C4'-P energy: -17.802
tors. eta vs tors. theta energy: -45.161
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: 3
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -426.351303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.351303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.351303 (E_RNA)
where:
Base-Base interactions energy: -301.448
where: short stacking energy: -136.366
Base-Backbone interact. energy: -1.217
local terms energy: -123.685553
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -24.629
flat angles C4'-P-C4' energy: -32.471
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -37.499
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: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -419.191212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.191212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.191212 (E_RNA)
where:
Base-Base interactions energy: -283.803
where: short stacking energy: -117.253
Base-Backbone interact. energy: -0.019
local terms energy: -135.369530
where:
bonds (distance) C4'-P energy: -21.901
bonds (distance) P-C4' energy: -27.670
flat angles C4'-P-C4' energy: -29.055
flat angles P-C4'-P energy: -23.136
tors. eta vs tors. theta energy: -33.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -231.990430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.990430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.990430 (E_RNA)
where:
Base-Base interactions energy: -134.051
where: short stacking energy: -73.738
Base-Backbone interact. energy: -0.570
local terms energy: -97.369389
where:
bonds (distance) C4'-P energy: -25.410
bonds (distance) P-C4' energy: -22.429
flat angles C4'-P-C4' energy: -25.141
flat angles P-C4'-P energy: -12.885
tors. eta vs tors. theta energy: -11.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -124.303966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.303966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.303966 (E_RNA)
where:
Base-Base interactions energy: -38.477
where: short stacking energy: -33.317
Base-Backbone interact. energy: -0.404
local terms energy: -85.423050
where:
bonds (distance) C4'-P energy: -30.019
bonds (distance) P-C4' energy: -23.699
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -19.573
tors. eta vs tors. theta energy: 2.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -537.666976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.666976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.666976 (E_RNA)
where:
Base-Base interactions energy: -385.947
where: short stacking energy: -148.563
Base-Backbone interact. energy: -0.366
local terms energy: -151.354338
where:
bonds (distance) C4'-P energy: -29.070
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -31.701
flat angles P-C4'-P energy: -23.467
tors. eta vs tors. theta energy: -44.063
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: 461
Temperature: 0.950000
Total energy: -527.031907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.031907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.031907 (E_RNA)
where:
Base-Base interactions energy: -376.923
where: short stacking energy: -140.990
Base-Backbone interact. energy: -0.440
local terms energy: -149.668631
where:
bonds (distance) C4'-P energy: -28.503
bonds (distance) P-C4' energy: -31.246
flat angles C4'-P-C4' energy: -29.329
flat angles P-C4'-P energy: -24.292
tors. eta vs tors. theta energy: -36.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -511.303215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.303215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.303215 (E_RNA)
where:
Base-Base interactions energy: -358.333
where: short stacking energy: -147.868
Base-Backbone interact. energy: -0.004
local terms energy: -152.965957
where:
bonds (distance) C4'-P energy: -29.429
bonds (distance) P-C4' energy: -27.160
flat angles C4'-P-C4' energy: -30.832
flat angles P-C4'-P energy: -18.645
tors. eta vs tors. theta energy: -46.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -508.119385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.119385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.119385 (E_RNA)
where:
Base-Base interactions energy: -360.614
where: short stacking energy: -151.341
Base-Backbone interact. energy: -0.003
local terms energy: -147.502375
where:
bonds (distance) C4'-P energy: -28.049
bonds (distance) P-C4' energy: -23.180
flat angles C4'-P-C4' energy: -33.443
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: -46.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -505.888787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.888787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.888787 (E_RNA)
where:
Base-Base interactions energy: -355.026
where: short stacking energy: -144.808
Base-Backbone interact. energy: -0.644
local terms energy: -150.219404
where:
bonds (distance) C4'-P energy: -26.111
bonds (distance) P-C4' energy: -30.587
flat angles C4'-P-C4' energy: -23.166
flat angles P-C4'-P energy: -25.529
tors. eta vs tors. theta energy: -44.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -507.854413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.854413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.854413 (E_RNA)
where:
Base-Base interactions energy: -349.837
where: short stacking energy: -145.176
Base-Backbone interact. energy: -0.621
local terms energy: -157.396566
where:
bonds (distance) C4'-P energy: -28.077
bonds (distance) P-C4' energy: -28.770
flat angles C4'-P-C4' energy: -33.078
flat angles P-C4'-P energy: -22.565
tors. eta vs tors. theta energy: -44.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -435.867150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.867150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.867150 (E_RNA)
where:
Base-Base interactions energy: -294.160
where: short stacking energy: -136.536
Base-Backbone interact. energy: -1.036
local terms energy: -140.670611
where:
bonds (distance) C4'-P energy: -27.430
bonds (distance) P-C4' energy: -20.841
flat angles C4'-P-C4' energy: -29.576
flat angles P-C4'-P energy: -20.913
tors. eta vs tors. theta energy: -41.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -402.841102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.841102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.841102 (E_RNA)
where:
Base-Base interactions energy: -284.891
where: short stacking energy: -115.560
Base-Backbone interact. energy: -0.222
local terms energy: -117.728108
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -22.428
flat angles C4'-P-C4' energy: -29.868
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -36.628
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: 1
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -208.593424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.593424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.593424 (E_RNA)
where:
Base-Base interactions energy: -114.823
where: short stacking energy: -51.073
Base-Backbone interact. energy: 0.010
local terms energy: -93.780201
where:
bonds (distance) C4'-P energy: -26.614
bonds (distance) P-C4' energy: -22.514
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -19.642
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -130.581442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.581442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.581442 (E_RNA)
where:
Base-Base interactions energy: -39.105
where: short stacking energy: -34.964
Base-Backbone interact. energy: -0.212
local terms energy: -91.264710
where:
bonds (distance) C4'-P energy: -24.931
bonds (distance) P-C4' energy: -25.450
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -17.435
tors. eta vs tors. theta energy: -1.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -531.478374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.478374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.478374 (E_RNA)
where:
Base-Base interactions energy: -378.603
where: short stacking energy: -152.248
Base-Backbone interact. energy: -0.668
local terms energy: -152.206920
where:
bonds (distance) C4'-P energy: -23.696
bonds (distance) P-C4' energy: -26.978
flat angles C4'-P-C4' energy: -30.417
flat angles P-C4'-P energy: -25.371
tors. eta vs tors. theta energy: -45.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -519.770743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.770743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.770743 (E_RNA)
where:
Base-Base interactions energy: -379.287
where: short stacking energy: -150.697
Base-Backbone interact. energy: -0.190
local terms energy: -140.293770
where:
bonds (distance) C4'-P energy: -27.932
bonds (distance) P-C4' energy: -26.941
flat angles C4'-P-C4' energy: -30.205
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -39.604
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: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -515.392312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.392312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.392312 (E_RNA)
where:
Base-Base interactions energy: -369.298
where: short stacking energy: -153.036
Base-Backbone interact. energy: -1.681
local terms energy: -144.413492
where:
bonds (distance) C4'-P energy: -25.895
bonds (distance) P-C4' energy: -25.861
flat angles C4'-P-C4' energy: -28.935
flat angles P-C4'-P energy: -19.809
tors. eta vs tors. theta energy: -43.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -501.257370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.257370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.257370 (E_RNA)
where:
Base-Base interactions energy: -346.569
where: short stacking energy: -146.243
Base-Backbone interact. energy: -0.010
local terms energy: -154.679023
where:
bonds (distance) C4'-P energy: -28.703
bonds (distance) P-C4' energy: -28.476
flat angles C4'-P-C4' energy: -29.023
flat angles P-C4'-P energy: -22.692
tors. eta vs tors. theta energy: -45.786
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: 4
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -511.590978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.590978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.590978 (E_RNA)
where:
Base-Base interactions energy: -356.270
where: short stacking energy: -140.931
Base-Backbone interact. energy: 1.364
local terms energy: -156.685293
where:
bonds (distance) C4'-P energy: -30.742
bonds (distance) P-C4' energy: -30.709
flat angles C4'-P-C4' energy: -27.923
flat angles P-C4'-P energy: -22.405
tors. eta vs tors. theta energy: -44.906
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: 8
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -484.899861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.899861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.899861 (E_RNA)
where:
Base-Base interactions energy: -349.509
where: short stacking energy: -146.872
Base-Backbone interact. energy: -0.024
local terms energy: -135.366648
where:
bonds (distance) C4'-P energy: -23.692
bonds (distance) P-C4' energy: -19.373
flat angles C4'-P-C4' energy: -32.360
flat angles P-C4'-P energy: -16.895
tors. eta vs tors. theta energy: -43.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -435.593813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.593813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.593813 (E_RNA)
where:
Base-Base interactions energy: -304.527
where: short stacking energy: -130.944
Base-Backbone interact. energy: -0.664
local terms energy: -130.402501
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -26.122
flat angles C4'-P-C4' energy: -26.375
flat angles P-C4'-P energy: -17.062
tors. eta vs tors. theta energy: -42.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -424.683451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.683451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.683451 (E_RNA)
where:
Base-Base interactions energy: -301.851
where: short stacking energy: -125.803
Base-Backbone interact. energy: 1.084
local terms energy: -123.917194
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -25.036
flat angles C4'-P-C4' energy: -26.548
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -38.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -213.932987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.932987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.932987 (E_RNA)
where:
Base-Base interactions energy: -124.045
where: short stacking energy: -60.698
Base-Backbone interact. energy: 0.253
local terms energy: -90.140745
where:
bonds (distance) C4'-P energy: -28.598
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -16.007
tors. eta vs tors. theta energy: -9.401
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: 10, replica: 7
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -136.351254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.351254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.351254 (E_RNA)
where:
Base-Base interactions energy: -53.199
where: short stacking energy: -45.404
Base-Backbone interact. energy: -0.016
local terms energy: -83.135613
where:
bonds (distance) C4'-P energy: -26.945
bonds (distance) P-C4' energy: -24.848
flat angles C4'-P-C4' energy: -20.211
flat angles P-C4'-P energy: -5.493
tors. eta vs tors. theta energy: -5.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -536.061428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.061428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.061428 (E_RNA)
where:
Base-Base interactions energy: -379.737
where: short stacking energy: -158.387
Base-Backbone interact. energy: -0.394
local terms energy: -155.930358
where:
bonds (distance) C4'-P energy: -32.014
bonds (distance) P-C4' energy: -23.611
flat angles C4'-P-C4' energy: -31.190
flat angles P-C4'-P energy: -24.486
tors. eta vs tors. theta energy: -44.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -515.667046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.667046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.667046 (E_RNA)
where:
Base-Base interactions energy: -353.273
where: short stacking energy: -152.554
Base-Backbone interact. energy: -0.060
local terms energy: -162.334027
where:
bonds (distance) C4'-P energy: -32.332
bonds (distance) P-C4' energy: -27.963
flat angles C4'-P-C4' energy: -31.714
flat angles P-C4'-P energy: -25.416
tors. eta vs tors. theta energy: -44.908
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: 463
Temperature: 1.000000
Total energy: -519.626255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.626255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.626255 (E_RNA)
where:
Base-Base interactions energy: -374.445
where: short stacking energy: -136.950
Base-Backbone interact. energy: -0.395
local terms energy: -144.786243
where:
bonds (distance) C4'-P energy: -29.936
bonds (distance) P-C4' energy: -27.239
flat angles C4'-P-C4' energy: -30.522
flat angles P-C4'-P energy: -19.115
tors. eta vs tors. theta energy: -37.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -520.900197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.900197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.900197 (E_RNA)
where:
Base-Base interactions energy: -365.915
where: short stacking energy: -151.697
Base-Backbone interact. energy: -0.604
local terms energy: -154.381062
where:
bonds (distance) C4'-P energy: -28.400
bonds (distance) P-C4' energy: -28.617
flat angles C4'-P-C4' energy: -29.751
flat angles P-C4'-P energy: -21.643
tors. eta vs tors. theta energy: -45.970
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: 5
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -497.643069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.643069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.643069 (E_RNA)
where:
Base-Base interactions energy: -350.825
where: short stacking energy: -150.926
Base-Backbone interact. energy: 1.374
local terms energy: -148.192368
where:
bonds (distance) C4'-P energy: -27.200
bonds (distance) P-C4' energy: -24.449
flat angles C4'-P-C4' energy: -28.249
flat angles P-C4'-P energy: -21.846
tors. eta vs tors. theta energy: -46.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -491.405295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.405295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.405295 (E_RNA)
where:
Base-Base interactions energy: -348.775
where: short stacking energy: -144.009
Base-Backbone interact. energy: -2.012
local terms energy: -140.618021
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -27.005
flat angles C4'-P-C4' energy: -27.932
flat angles P-C4'-P energy: -25.407
tors. eta vs tors. theta energy: -42.718
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: 3
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -432.645861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.645861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.645861 (E_RNA)
where:
Base-Base interactions energy: -295.777
where: short stacking energy: -130.678
Base-Backbone interact. energy: -0.669
local terms energy: -136.200574
where:
bonds (distance) C4'-P energy: -18.784
bonds (distance) P-C4' energy: -26.345
flat angles C4'-P-C4' energy: -31.083
flat angles P-C4'-P energy: -17.518
tors. eta vs tors. theta energy: -42.469
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: 8, replica: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -415.981103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.981103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.981103 (E_RNA)
where:
Base-Base interactions energy: -282.321
where: short stacking energy: -118.491
Base-Backbone interact. energy: -0.203
local terms energy: -133.457341
where:
bonds (distance) C4'-P energy: -24.950
bonds (distance) P-C4' energy: -20.646
flat angles C4'-P-C4' energy: -28.024
flat angles P-C4'-P energy: -20.915
tors. eta vs tors. theta energy: -38.922
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: 1
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -211.809177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.809177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.809177 (E_RNA)
where:
Base-Base interactions energy: -136.352
where: short stacking energy: -71.422
Base-Backbone interact. energy: -0.692
local terms energy: -74.766053
where:
bonds (distance) C4'-P energy: -9.623
bonds (distance) P-C4' energy: -29.001
flat angles C4'-P-C4' energy: -29.266
flat angles P-C4'-P energy: -2.276
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -131.358621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.358621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.358621 (E_RNA)
where:
Base-Base interactions energy: -53.260
where: short stacking energy: -39.156
Base-Backbone interact. energy: 0.002
local terms energy: -78.100765
where:
bonds (distance) C4'-P energy: -21.322
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -16.761
tors. eta vs tors. theta energy: -2.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -523.545860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.545860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.545860 (E_RNA)
where:
Base-Base interactions energy: -369.067
where: short stacking energy: -152.951
Base-Backbone interact. energy: -0.174
local terms energy: -154.304640
where:
bonds (distance) C4'-P energy: -28.683
bonds (distance) P-C4' energy: -30.044
flat angles C4'-P-C4' energy: -28.352
flat angles P-C4'-P energy: -21.141
tors. eta vs tors. theta energy: -46.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -527.461396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.461396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.461396 (E_RNA)
where:
Base-Base interactions energy: -371.699
where: short stacking energy: -158.763
Base-Backbone interact. energy: -0.007
local terms energy: -155.755478
where:
bonds (distance) C4'-P energy: -28.043
bonds (distance) P-C4' energy: -32.690
flat angles C4'-P-C4' energy: -31.226
flat angles P-C4'-P energy: -16.548
tors. eta vs tors. theta energy: -47.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -514.562535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.562535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.562535 (E_RNA)
where:
Base-Base interactions energy: -377.546
where: short stacking energy: -150.619
Base-Backbone interact. energy: 1.393
local terms energy: -138.410337
where:
bonds (distance) C4'-P energy: -28.115
bonds (distance) P-C4' energy: -25.485
flat angles C4'-P-C4' energy: -27.037
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -42.965
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: 4
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -509.002988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.002988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.002988 (E_RNA)
where:
Base-Base interactions energy: -357.644
where: short stacking energy: -144.814
Base-Backbone interact. energy: -0.551
local terms energy: -150.807640
where:
bonds (distance) C4'-P energy: -25.639
bonds (distance) P-C4' energy: -28.806
flat angles C4'-P-C4' energy: -31.804
flat angles P-C4'-P energy: -22.374
tors. eta vs tors. theta energy: -42.184
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: 5
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -485.819697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.819697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.819697 (E_RNA)
where:
Base-Base interactions energy: -346.717
where: short stacking energy: -131.221
Base-Backbone interact. energy: -0.710
local terms energy: -138.393013
where:
bonds (distance) C4'-P energy: -23.862
bonds (distance) P-C4' energy: -22.916
flat angles C4'-P-C4' energy: -25.435
flat angles P-C4'-P energy: -22.771
tors. eta vs tors. theta energy: -43.409
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: 8
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -476.911089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.911089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.911089 (E_RNA)
where:
Base-Base interactions energy: -340.734
where: short stacking energy: -141.408
Base-Backbone interact. energy: -0.351
local terms energy: -135.825852
where:
bonds (distance) C4'-P energy: -18.606
bonds (distance) P-C4' energy: -25.503
flat angles C4'-P-C4' energy: -32.419
flat angles P-C4'-P energy: -18.308
tors. eta vs tors. theta energy: -40.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -439.461071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.461071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.461071 (E_RNA)
where:
Base-Base interactions energy: -300.266
where: short stacking energy: -135.442
Base-Backbone interact. energy: -0.896
local terms energy: -138.299051
where:
bonds (distance) C4'-P energy: -21.656
bonds (distance) P-C4' energy: -25.833
flat angles C4'-P-C4' energy: -32.103
flat angles P-C4'-P energy: -14.628
tors. eta vs tors. theta energy: -44.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -414.549313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.549313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.549313 (E_RNA)
where:
Base-Base interactions energy: -281.058
where: short stacking energy: -123.117
Base-Backbone interact. energy: -0.093
local terms energy: -133.397872
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -31.418
flat angles P-C4'-P energy: -26.022
tors. eta vs tors. theta energy: -35.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -164.613431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.613431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.613431 (E_RNA)
where:
Base-Base interactions energy: -74.665
where: short stacking energy: -56.492
Base-Backbone interact. energy: -0.106
local terms energy: -89.842448
where:
bonds (distance) C4'-P energy: -27.832
bonds (distance) P-C4' energy: -26.161
flat angles C4'-P-C4' energy: -23.388
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -6.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -199.534475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.534475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.534475 (E_RNA)
where:
Base-Base interactions energy: -118.484
where: short stacking energy: -57.796
Base-Backbone interact. energy: 0.063
local terms energy: -81.112969
where:
bonds (distance) C4'-P energy: -22.521
bonds (distance) P-C4' energy: -27.595
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -15.339
tors. eta vs tors. theta energy: 1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -526.503178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.503178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.503178 (E_RNA)
where:
Base-Base interactions energy: -374.461
where: short stacking energy: -151.453
Base-Backbone interact. energy: -0.164
local terms energy: -151.877524
where:
bonds (distance) C4'-P energy: -27.915
bonds (distance) P-C4' energy: -24.642
flat angles C4'-P-C4' energy: -33.125
flat angles P-C4'-P energy: -18.799
tors. eta vs tors. theta energy: -47.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -530.495063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.495063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.495063 (E_RNA)
where:
Base-Base interactions energy: -374.715
where: short stacking energy: -158.698
Base-Backbone interact. energy: -0.021
local terms energy: -155.759565
where:
bonds (distance) C4'-P energy: -26.618
bonds (distance) P-C4' energy: -27.007
flat angles C4'-P-C4' energy: -32.418
flat angles P-C4'-P energy: -23.071
tors. eta vs tors. theta energy: -46.646
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: 3, replica: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -515.881879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.881879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.881879 (E_RNA)
where:
Base-Base interactions energy: -371.805
where: short stacking energy: -154.067
Base-Backbone interact. energy: -0.963
local terms energy: -143.114586
where:
bonds (distance) C4'-P energy: -26.078
bonds (distance) P-C4' energy: -25.790
flat angles C4'-P-C4' energy: -32.774
flat angles P-C4'-P energy: -16.463
tors. eta vs tors. theta energy: -42.010
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: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -517.637352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.637352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.637352 (E_RNA)
where:
Base-Base interactions energy: -378.255
where: short stacking energy: -154.873
Base-Backbone interact. energy: -0.331
local terms energy: -139.050738
where:
bonds (distance) C4'-P energy: -21.438
bonds (distance) P-C4' energy: -23.482
flat angles C4'-P-C4' energy: -25.097
flat angles P-C4'-P energy: -22.588
tors. eta vs tors. theta energy: -46.446
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: 465
Temperature: 1.100000
Total energy: -482.679647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.679647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.679647 (E_RNA)
where:
Base-Base interactions energy: -352.783
where: short stacking energy: -135.398
Base-Backbone interact. energy: -0.040
local terms energy: -129.856490
where:
bonds (distance) C4'-P energy: -19.554
bonds (distance) P-C4' energy: -26.250
flat angles C4'-P-C4' energy: -28.368
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -43.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -482.584445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.584445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.584445 (E_RNA)
where:
Base-Base interactions energy: -348.411
where: short stacking energy: -146.629
Base-Backbone interact. energy: -0.638
local terms energy: -133.535154
where:
bonds (distance) C4'-P energy: -25.100
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -33.690
flat angles P-C4'-P energy: -18.884
tors. eta vs tors. theta energy: -40.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -417.026841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.026841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.026841 (E_RNA)
where:
Base-Base interactions energy: -282.027
where: short stacking energy: -121.613
Base-Backbone interact. energy: -0.352
local terms energy: -134.647841
where:
bonds (distance) C4'-P energy: -25.739
bonds (distance) P-C4' energy: -25.621
flat angles C4'-P-C4' energy: -24.218
flat angles P-C4'-P energy: -23.017
tors. eta vs tors. theta energy: -36.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -404.842580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.842580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.842580 (E_RNA)
where:
Base-Base interactions energy: -276.641
where: short stacking energy: -120.900
Base-Backbone interact. energy: -0.123
local terms energy: -128.078931
where:
bonds (distance) C4'-P energy: -21.862
bonds (distance) P-C4' energy: -28.955
flat angles C4'-P-C4' energy: -24.372
flat angles P-C4'-P energy: -17.524
tors. eta vs tors. theta energy: -35.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -151.978099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.978099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.978099 (E_RNA)
where:
Base-Base interactions energy: -59.416
where: short stacking energy: -28.224
Base-Backbone interact. energy: -0.094
local terms energy: -92.467636
where:
bonds (distance) C4'-P energy: -25.738
bonds (distance) P-C4' energy: -22.722
flat angles C4'-P-C4' energy: -23.489
flat angles P-C4'-P energy: -17.226
tors. eta vs tors. theta energy: -3.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -207.035213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.035213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.035213 (E_RNA)
where:
Base-Base interactions energy: -123.267
where: short stacking energy: -56.746
Base-Backbone interact. energy: -0.578
local terms energy: -83.189953
where:
bonds (distance) C4'-P energy: -27.875
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -8.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -530.028300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.028300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.028300 (E_RNA)
where:
Base-Base interactions energy: -367.320
where: short stacking energy: -151.184
Base-Backbone interact. energy: 2.054
local terms energy: -164.762137
where:
bonds (distance) C4'-P energy: -29.609
bonds (distance) P-C4' energy: -32.104
flat angles C4'-P-C4' energy: -31.803
flat angles P-C4'-P energy: -22.212
tors. eta vs tors. theta energy: -49.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -524.646447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.646447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.646447 (E_RNA)
where:
Base-Base interactions energy: -367.564
where: short stacking energy: -156.393
Base-Backbone interact. energy: -0.244
local terms energy: -156.838170
where:
bonds (distance) C4'-P energy: -30.396
bonds (distance) P-C4' energy: -22.456
flat angles C4'-P-C4' energy: -35.981
flat angles P-C4'-P energy: -20.423
tors. eta vs tors. theta energy: -47.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -518.600886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.600886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.600886 (E_RNA)
where:
Base-Base interactions energy: -369.597
where: short stacking energy: -150.424
Base-Backbone interact. energy: -0.059
local terms energy: -148.944388
where:
bonds (distance) C4'-P energy: -24.698
bonds (distance) P-C4' energy: -29.688
flat angles C4'-P-C4' energy: -32.396
flat angles P-C4'-P energy: -20.224
tors. eta vs tors. theta energy: -41.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -510.351203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.351203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.351203 (E_RNA)
where:
Base-Base interactions energy: -361.324
where: short stacking energy: -142.933
Base-Backbone interact. energy: -0.100
local terms energy: -148.926763
where:
bonds (distance) C4'-P energy: -25.378
bonds (distance) P-C4' energy: -29.093
flat angles C4'-P-C4' energy: -28.940
flat angles P-C4'-P energy: -23.563
tors. eta vs tors. theta energy: -41.953
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: 8
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -489.181777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.181777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.181777 (E_RNA)
where:
Base-Base interactions energy: -352.023
where: short stacking energy: -132.583
Base-Backbone interact. energy: -1.259
local terms energy: -135.899581
where:
bonds (distance) C4'-P energy: -26.418
bonds (distance) P-C4' energy: -25.990
flat angles C4'-P-C4' energy: -29.914
flat angles P-C4'-P energy: -17.115
tors. eta vs tors. theta energy: -36.463
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: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -479.360366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.360366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.360366 (E_RNA)
where:
Base-Base interactions energy: -332.890
where: short stacking energy: -136.255
Base-Backbone interact. energy: 0.399
local terms energy: -146.868854
where:
bonds (distance) C4'-P energy: -28.175
bonds (distance) P-C4' energy: -27.099
flat angles C4'-P-C4' energy: -25.146
flat angles P-C4'-P energy: -22.085
tors. eta vs tors. theta energy: -44.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -406.625158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.625158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.625158 (E_RNA)
where:
Base-Base interactions energy: -280.801
where: short stacking energy: -115.193
Base-Backbone interact. energy: -0.350
local terms energy: -125.474388
where:
bonds (distance) C4'-P energy: -21.637
bonds (distance) P-C4' energy: -25.466
flat angles C4'-P-C4' energy: -28.619
flat angles P-C4'-P energy: -16.116
tors. eta vs tors. theta energy: -33.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -410.715588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.715588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.715588 (E_RNA)
where:
Base-Base interactions energy: -289.995
where: short stacking energy: -123.053
Base-Backbone interact. energy: -0.400
local terms energy: -120.320155
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -23.766
flat angles C4'-P-C4' energy: -24.202
flat angles P-C4'-P energy: -20.138
tors. eta vs tors. theta energy: -32.589
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: 1
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -236.248833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.248833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.248833 (E_RNA)
where:
Base-Base interactions energy: -150.717
where: short stacking energy: -74.892
Base-Backbone interact. energy: -0.458
local terms energy: -85.073358
where:
bonds (distance) C4'-P energy: -22.336
bonds (distance) P-C4' energy: -24.969
flat angles C4'-P-C4' energy: -22.130
flat angles P-C4'-P energy: -3.666
tors. eta vs tors. theta energy: -11.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -159.503864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.503864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.503864 (E_RNA)
where:
Base-Base interactions energy: -73.431
where: short stacking energy: -48.797
Base-Backbone interact. energy: 2.004
local terms energy: -88.077451
where:
bonds (distance) C4'-P energy: -24.654
bonds (distance) P-C4' energy: -33.697
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -2.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -526.584780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.584780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.584780 (E_RNA)
where:
Base-Base interactions energy: -372.644
where: short stacking energy: -164.271
Base-Backbone interact. energy: -0.214
local terms energy: -153.727538
where:
bonds (distance) C4'-P energy: -31.083
bonds (distance) P-C4' energy: -26.652
flat angles C4'-P-C4' energy: -33.112
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -49.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -534.122753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.122753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.122753 (E_RNA)
where:
Base-Base interactions energy: -386.565
where: short stacking energy: -150.839
Base-Backbone interact. energy: 1.030
local terms energy: -148.587463
where:
bonds (distance) C4'-P energy: -31.973
bonds (distance) P-C4' energy: -24.620
flat angles C4'-P-C4' energy: -29.716
flat angles P-C4'-P energy: -21.046
tors. eta vs tors. theta energy: -41.232
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: 9
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -518.863012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.863012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.863012 (E_RNA)
where:
Base-Base interactions energy: -373.617
where: short stacking energy: -151.786
Base-Backbone interact. energy: -0.374
local terms energy: -144.871887
where:
bonds (distance) C4'-P energy: -27.338
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -32.093
flat angles P-C4'-P energy: -21.871
tors. eta vs tors. theta energy: -42.065
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: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -516.697048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.697048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.697048 (E_RNA)
where:
Base-Base interactions energy: -373.837
where: short stacking energy: -153.022
Base-Backbone interact. energy: -0.029
local terms energy: -142.830999
where:
bonds (distance) C4'-P energy: -24.786
bonds (distance) P-C4' energy: -28.019
flat angles C4'-P-C4' energy: -27.423
flat angles P-C4'-P energy: -14.778
tors. eta vs tors. theta energy: -47.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -498.187525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.187525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.187525 (E_RNA)
where:
Base-Base interactions energy: -374.566
where: short stacking energy: -156.367
Base-Backbone interact. energy: -0.055
local terms energy: -123.566891
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -26.915
flat angles P-C4'-P energy: -23.541
tors. eta vs tors. theta energy: -38.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -488.236829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.236829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.236829 (E_RNA)
where:
Base-Base interactions energy: -331.205
where: short stacking energy: -138.514
Base-Backbone interact. energy: -0.298
local terms energy: -156.734178
where:
bonds (distance) C4'-P energy: -26.702
bonds (distance) P-C4' energy: -30.774
flat angles C4'-P-C4' energy: -28.978
flat angles P-C4'-P energy: -21.248
tors. eta vs tors. theta energy: -49.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -396.729916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.729916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.729916 (E_RNA)
where:
Base-Base interactions energy: -281.794
where: short stacking energy: -122.965
Base-Backbone interact. energy: -0.776
local terms energy: -114.159760
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -27.175
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: -32.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -435.363637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.363637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.363637 (E_RNA)
where:
Base-Base interactions energy: -310.735
where: short stacking energy: -120.180
Base-Backbone interact. energy: -0.228
local terms energy: -124.400116
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -27.051
flat angles C4'-P-C4' energy: -27.044
flat angles P-C4'-P energy: -19.971
tors. eta vs tors. theta energy: -34.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -223.113065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.113065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.113065 (E_RNA)
where:
Base-Base interactions energy: -141.626
where: short stacking energy: -63.424
Base-Backbone interact. energy: 0.914
local terms energy: -82.400524
where:
bonds (distance) C4'-P energy: -21.340
bonds (distance) P-C4' energy: -25.787
flat angles C4'-P-C4' energy: -21.708
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -0.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -127.712698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.712698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.712698 (E_RNA)
where:
Base-Base interactions energy: -40.786
where: short stacking energy: -37.339
Base-Backbone interact. energy: -0.200
local terms energy: -86.725935
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -25.123
flat angles C4'-P-C4' energy: -21.335
flat angles P-C4'-P energy: -14.117
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: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -531.464006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.464006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.464006 (E_RNA)
where:
Base-Base interactions energy: -374.705
where: short stacking energy: -151.270
Base-Backbone interact. energy: -0.126
local terms energy: -156.632916
where:
bonds (distance) C4'-P energy: -27.952
bonds (distance) P-C4' energy: -33.490
flat angles C4'-P-C4' energy: -27.118
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -42.878
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: 2, replica: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -527.418183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.418183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.418183 (E_RNA)
where:
Base-Base interactions energy: -373.712
where: short stacking energy: -147.519
Base-Backbone interact. energy: 1.260
local terms energy: -154.965772
where:
bonds (distance) C4'-P energy: -32.961
bonds (distance) P-C4' energy: -26.795
flat angles C4'-P-C4' energy: -31.802
flat angles P-C4'-P energy: -18.001
tors. eta vs tors. theta energy: -45.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -525.860771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.860771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.860771 (E_RNA)
where:
Base-Base interactions energy: -372.452
where: short stacking energy: -150.225
Base-Backbone interact. energy: -0.089
local terms energy: -153.319395
where:
bonds (distance) C4'-P energy: -26.852
bonds (distance) P-C4' energy: -27.424
flat angles C4'-P-C4' energy: -29.668
flat angles P-C4'-P energy: -25.004
tors. eta vs tors. theta energy: -44.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -511.326104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.326104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.326104 (E_RNA)
where:
Base-Base interactions energy: -371.806
where: short stacking energy: -153.327
Base-Backbone interact. energy: 0.570
local terms energy: -140.090267
where:
bonds (distance) C4'-P energy: -19.475
bonds (distance) P-C4' energy: -22.978
flat angles C4'-P-C4' energy: -30.120
flat angles P-C4'-P energy: -21.577
tors. eta vs tors. theta energy: -45.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -502.257808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.257808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.257808 (E_RNA)
where:
Base-Base interactions energy: -369.479
where: short stacking energy: -152.257
Base-Backbone interact. energy: -0.273
local terms energy: -132.506116
where:
bonds (distance) C4'-P energy: -24.091
bonds (distance) P-C4' energy: -24.046
flat angles C4'-P-C4' energy: -28.746
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -42.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -490.758858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.758858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.758858 (E_RNA)
where:
Base-Base interactions energy: -341.661
where: short stacking energy: -140.398
Base-Backbone interact. energy: -0.023
local terms energy: -149.074597
where:
bonds (distance) C4'-P energy: -29.933
bonds (distance) P-C4' energy: -27.040
flat angles C4'-P-C4' energy: -25.533
flat angles P-C4'-P energy: -21.178
tors. eta vs tors. theta energy: -45.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -419.548779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.548779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.548779 (E_RNA)
where:
Base-Base interactions energy: -284.652
where: short stacking energy: -123.041
Base-Backbone interact. energy: -0.024
local terms energy: -134.872271
where:
bonds (distance) C4'-P energy: -30.036
bonds (distance) P-C4' energy: -23.272
flat angles C4'-P-C4' energy: -27.703
flat angles P-C4'-P energy: -17.578
tors. eta vs tors. theta energy: -36.284
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: 3
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -401.083946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.083946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.083946 (E_RNA)
where:
Base-Base interactions energy: -282.716
where: short stacking energy: -120.724
Base-Backbone interact. energy: 0.975
local terms energy: -119.343221
where:
bonds (distance) C4'-P energy: -23.130
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -27.388
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -33.628
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: 1
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -250.374411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.374411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.374411 (E_RNA)
where:
Base-Base interactions energy: -171.420
where: short stacking energy: -77.762
Base-Backbone interact. energy: -0.288
local terms energy: -78.666475
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -25.087
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -11.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -129.518265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.518265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.518265 (E_RNA)
where:
Base-Base interactions energy: -40.670
where: short stacking energy: -38.080
Base-Backbone interact. energy: -0.492
local terms energy: -88.356850
where:
bonds (distance) C4'-P energy: -22.028
bonds (distance) P-C4' energy: -23.475
flat angles C4'-P-C4' energy: -26.757
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -5.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -533.931078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.931078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.931078 (E_RNA)
where:
Base-Base interactions energy: -380.745
where: short stacking energy: -149.463
Base-Backbone interact. energy: -0.074
local terms energy: -153.111949
where:
bonds (distance) C4'-P energy: -29.849
bonds (distance) P-C4' energy: -29.538
flat angles C4'-P-C4' energy: -28.837
flat angles P-C4'-P energy: -21.787
tors. eta vs tors. theta energy: -43.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -529.766980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.766980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.766980 (E_RNA)
where:
Base-Base interactions energy: -381.596
where: short stacking energy: -149.226
Base-Backbone interact. energy: -0.598
local terms energy: -147.573030
where:
bonds (distance) C4'-P energy: -26.743
bonds (distance) P-C4' energy: -28.305
flat angles C4'-P-C4' energy: -26.714
flat angles P-C4'-P energy: -21.347
tors. eta vs tors. theta energy: -44.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -522.257230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.257230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.257230 (E_RNA)
where:
Base-Base interactions energy: -370.771
where: short stacking energy: -160.069
Base-Backbone interact. energy: -0.581
local terms energy: -150.905625
where:
bonds (distance) C4'-P energy: -20.929
bonds (distance) P-C4' energy: -26.900
flat angles C4'-P-C4' energy: -34.487
flat angles P-C4'-P energy: -20.497
tors. eta vs tors. theta energy: -48.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -521.506574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.506574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.506574 (E_RNA)
where:
Base-Base interactions energy: -374.639
where: short stacking energy: -147.144
Base-Backbone interact. energy: -0.177
local terms energy: -146.689895
where:
bonds (distance) C4'-P energy: -27.583
bonds (distance) P-C4' energy: -29.748
flat angles C4'-P-C4' energy: -28.810
flat angles P-C4'-P energy: -16.139
tors. eta vs tors. theta energy: -44.409
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: 2
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -506.282932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.282932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.282932 (E_RNA)
where:
Base-Base interactions energy: -349.814
where: short stacking energy: -147.004
Base-Backbone interact. energy: -0.207
local terms energy: -156.261747
where:
bonds (distance) C4'-P energy: -26.873
bonds (distance) P-C4' energy: -27.113
flat angles C4'-P-C4' energy: -33.459
flat angles P-C4'-P energy: -22.304
tors. eta vs tors. theta energy: -46.512
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: 469
Temperature: 1.150000
Total energy: -443.681696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.681696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.681696 (E_RNA)
where:
Base-Base interactions energy: -300.454
where: short stacking energy: -129.583
Base-Backbone interact. energy: -0.153
local terms energy: -143.074887
where:
bonds (distance) C4'-P energy: -24.617
bonds (distance) P-C4' energy: -25.441
flat angles C4'-P-C4' energy: -30.706
flat angles P-C4'-P energy: -21.946
tors. eta vs tors. theta energy: -40.365
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: 7, replica: 5
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -478.328363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.328363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.328363 (E_RNA)
where:
Base-Base interactions energy: -352.887
where: short stacking energy: -138.824
Base-Backbone interact. energy: -0.850
local terms energy: -124.591379
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -29.638
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: -42.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -406.796048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.796048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.796048 (E_RNA)
where:
Base-Base interactions energy: -275.686
where: short stacking energy: -114.314
Base-Backbone interact. energy: 0.187
local terms energy: -131.296660
where:
bonds (distance) C4'-P energy: -24.495
bonds (distance) P-C4' energy: -26.361
flat angles C4'-P-C4' energy: -31.894
flat angles P-C4'-P energy: -14.619
tors. eta vs tors. theta energy: -33.928
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: 1
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -221.075777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.075777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.075777 (E_RNA)
where:
Base-Base interactions energy: -120.260
where: short stacking energy: -57.600
Base-Backbone interact. energy: -0.943
local terms energy: -99.871960
where:
bonds (distance) C4'-P energy: -21.953
bonds (distance) P-C4' energy: -24.645
flat angles C4'-P-C4' energy: -21.019
flat angles P-C4'-P energy: -18.646
tors. eta vs tors. theta energy: -13.609
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: 7
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -135.751562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.751562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.751562 (E_RNA)
where:
Base-Base interactions energy: -62.059
where: short stacking energy: -45.936
Base-Backbone interact. energy: 0.523
local terms energy: -74.216103
where:
bonds (distance) C4'-P energy: -20.832
bonds (distance) P-C4' energy: -23.361
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -3.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -541.449035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.449035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.449035 (E_RNA)
where:
Base-Base interactions energy: -379.978
where: short stacking energy: -153.367
Base-Backbone interact. energy: -0.352
local terms energy: -161.118767
where:
bonds (distance) C4'-P energy: -30.780
bonds (distance) P-C4' energy: -32.839
flat angles C4'-P-C4' energy: -28.954
flat angles P-C4'-P energy: -22.798
tors. eta vs tors. theta energy: -45.747
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: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -515.249586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.249586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.249586 (E_RNA)
where:
Base-Base interactions energy: -368.683
where: short stacking energy: -144.928
Base-Backbone interact. energy: 0.498
local terms energy: -147.064628
where:
bonds (distance) C4'-P energy: -27.043
bonds (distance) P-C4' energy: -26.446
flat angles C4'-P-C4' energy: -28.498
flat angles P-C4'-P energy: -23.853
tors. eta vs tors. theta energy: -41.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -519.438470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.438470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.438470 (E_RNA)
where:
Base-Base interactions energy: -378.185
where: short stacking energy: -153.536
Base-Backbone interact. energy: -0.126
local terms energy: -141.127375
where:
bonds (distance) C4'-P energy: -26.112
bonds (distance) P-C4' energy: -22.855
flat angles C4'-P-C4' energy: -28.693
flat angles P-C4'-P energy: -19.077
tors. eta vs tors. theta energy: -44.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -499.539888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.539888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.539888 (E_RNA)
where:
Base-Base interactions energy: -350.210
where: short stacking energy: -143.807
Base-Backbone interact. energy: -0.003
local terms energy: -149.326473
where:
bonds (distance) C4'-P energy: -26.737
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -31.782
flat angles P-C4'-P energy: -23.540
tors. eta vs tors. theta energy: -44.022
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: 2
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -495.884319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.884319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.884319 (E_RNA)
where:
Base-Base interactions energy: -345.618
where: short stacking energy: -146.245
Base-Backbone interact. energy: -0.033
local terms energy: -150.232830
where:
bonds (distance) C4'-P energy: -26.164
bonds (distance) P-C4' energy: -27.464
flat angles C4'-P-C4' energy: -31.201
flat angles P-C4'-P energy: -19.290
tors. eta vs tors. theta energy: -46.113
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: 470
Temperature: 1.150000
Total energy: -432.875385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.875385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.875385 (E_RNA)
where:
Base-Base interactions energy: -294.959
where: short stacking energy: -119.071
Base-Backbone interact. energy: -0.215
local terms energy: -137.701319
where:
bonds (distance) C4'-P energy: -29.216
bonds (distance) P-C4' energy: -28.445
flat angles C4'-P-C4' energy: -24.496
flat angles P-C4'-P energy: -18.229
tors. eta vs tors. theta energy: -37.316
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: 5
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -465.053355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.053355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.053355 (E_RNA)
where:
Base-Base interactions energy: -321.825
where: short stacking energy: -151.118
Base-Backbone interact. energy: -0.101
local terms energy: -143.127417
where:
bonds (distance) C4'-P energy: -26.691
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -27.095
flat angles P-C4'-P energy: -19.508
tors. eta vs tors. theta energy: -49.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -386.823791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.823791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.823791 (E_RNA)
where:
Base-Base interactions energy: -274.875
where: short stacking energy: -117.185
Base-Backbone interact. energy: -0.248
local terms energy: -111.700122
where:
bonds (distance) C4'-P energy: -24.343
bonds (distance) P-C4' energy: -23.742
flat angles C4'-P-C4' energy: -21.433
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -29.991
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: 1
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -219.901817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.901817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.901817 (E_RNA)
where:
Base-Base interactions energy: -136.066
where: short stacking energy: -74.975
Base-Backbone interact. energy: 0.066
local terms energy: -83.901933
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -26.689
flat angles C4'-P-C4' energy: -26.702
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -143.162178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.162178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.162178 (E_RNA)
where:
Base-Base interactions energy: -49.610
where: short stacking energy: -43.750
Base-Backbone interact. energy: -0.360
local terms energy: -93.192424
where:
bonds (distance) C4'-P energy: -22.856
bonds (distance) P-C4' energy: -30.314
flat angles C4'-P-C4' energy: -29.151
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: 1.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -529.736277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.736277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.736277 (E_RNA)
where:
Base-Base interactions energy: -376.655
where: short stacking energy: -159.808
Base-Backbone interact. energy: -0.002
local terms energy: -153.079659
where:
bonds (distance) C4'-P energy: -21.568
bonds (distance) P-C4' energy: -28.877
flat angles C4'-P-C4' energy: -32.139
flat angles P-C4'-P energy: -23.542
tors. eta vs tors. theta energy: -46.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -527.352058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.352058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.352058 (E_RNA)
where:
Base-Base interactions energy: -373.669
where: short stacking energy: -154.044
Base-Backbone interact. energy: -0.102
local terms energy: -153.581504
where:
bonds (distance) C4'-P energy: -30.237
bonds (distance) P-C4' energy: -26.011
flat angles C4'-P-C4' energy: -32.820
flat angles P-C4'-P energy: -22.101
tors. eta vs tors. theta energy: -42.413
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: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -515.096406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.096406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.096406 (E_RNA)
where:
Base-Base interactions energy: -364.371
where: short stacking energy: -135.028
Base-Backbone interact. energy: -0.927
local terms energy: -149.798634
where:
bonds (distance) C4'-P energy: -28.211
bonds (distance) P-C4' energy: -30.765
flat angles C4'-P-C4' energy: -31.082
flat angles P-C4'-P energy: -22.552
tors. eta vs tors. theta energy: -37.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -525.851137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.851137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.851137 (E_RNA)
where:
Base-Base interactions energy: -362.014
where: short stacking energy: -156.365
Base-Backbone interact. energy: -0.115
local terms energy: -163.721654
where:
bonds (distance) C4'-P energy: -29.596
bonds (distance) P-C4' energy: -28.037
flat angles C4'-P-C4' energy: -31.122
flat angles P-C4'-P energy: -25.261
tors. eta vs tors. theta energy: -49.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -511.130818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.130818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.130818 (E_RNA)
where:
Base-Base interactions energy: -363.568
where: short stacking energy: -156.408
Base-Backbone interact. energy: -0.061
local terms energy: -147.501660
where:
bonds (distance) C4'-P energy: -24.147
bonds (distance) P-C4' energy: -30.127
flat angles C4'-P-C4' energy: -32.531
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -48.155
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: 5
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -485.191633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.191633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.191633 (E_RNA)
where:
Base-Base interactions energy: -342.217
where: short stacking energy: -147.711
Base-Backbone interact. energy: -0.459
local terms energy: -142.515349
where:
bonds (distance) C4'-P energy: -28.011
bonds (distance) P-C4' energy: -21.136
flat angles C4'-P-C4' energy: -29.709
flat angles P-C4'-P energy: -17.661
tors. eta vs tors. theta energy: -45.998
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: 6
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -421.669635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.669635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.669635 (E_RNA)
where:
Base-Base interactions energy: -289.212
where: short stacking energy: -129.967
Base-Backbone interact. energy: -0.082
local terms energy: -132.376292
where:
bonds (distance) C4'-P energy: -21.056
bonds (distance) P-C4' energy: -28.427
flat angles C4'-P-C4' energy: -31.937
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -38.228
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: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -383.351928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.351928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.351928 (E_RNA)
where:
Base-Base interactions energy: -256.765
where: short stacking energy: -106.502
Base-Backbone interact. energy: 1.279
local terms energy: -127.866222
where:
bonds (distance) C4'-P energy: -26.764
bonds (distance) P-C4' energy: -25.563
flat angles C4'-P-C4' energy: -32.579
flat angles P-C4'-P energy: -14.129
tors. eta vs tors. theta energy: -28.831
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: 1
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -213.735996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.735996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.735996 (E_RNA)
where:
Base-Base interactions energy: -115.595
where: short stacking energy: -52.496
Base-Backbone interact. energy: 0.605
local terms energy: -98.746034
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -25.950
flat angles C4'-P-C4' energy: -25.431
flat angles P-C4'-P energy: -18.126
tors. eta vs tors. theta energy: -9.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -134.164768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.164768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.164768 (E_RNA)
where:
Base-Base interactions energy: -60.620
where: short stacking energy: -32.994
Base-Backbone interact. energy: -0.685
local terms energy: -72.859536
where:
bonds (distance) C4'-P energy: -28.697
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -16.643
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: 472
Temperature: 0.900000
Total energy: -533.747456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.747456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.747456 (E_RNA)
where:
Base-Base interactions energy: -376.036
where: short stacking energy: -167.201
Base-Backbone interact. energy: -0.395
local terms energy: -157.316420
where:
bonds (distance) C4'-P energy: -29.087
bonds (distance) P-C4' energy: -31.946
flat angles C4'-P-C4' energy: -29.640
flat angles P-C4'-P energy: -20.683
tors. eta vs tors. theta energy: -45.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -519.896019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.896019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.896019 (E_RNA)
where:
Base-Base interactions energy: -369.728
where: short stacking energy: -147.022
Base-Backbone interact. energy: 0.163
local terms energy: -150.331214
where:
bonds (distance) C4'-P energy: -24.015
bonds (distance) P-C4' energy: -31.829
flat angles C4'-P-C4' energy: -27.482
flat angles P-C4'-P energy: -23.814
tors. eta vs tors. theta energy: -43.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -527.570030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.570030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.570030 (E_RNA)
where:
Base-Base interactions energy: -373.997
where: short stacking energy: -160.210
Base-Backbone interact. energy: -0.010
local terms energy: -153.563197
where:
bonds (distance) C4'-P energy: -25.814
bonds (distance) P-C4' energy: -27.249
flat angles C4'-P-C4' energy: -31.473
flat angles P-C4'-P energy: -20.913
tors. eta vs tors. theta energy: -48.114
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: 4
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -502.162122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.162122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.162122 (E_RNA)
where:
Base-Base interactions energy: -346.616
where: short stacking energy: -130.291
Base-Backbone interact. energy: -0.115
local terms energy: -155.430266
where:
bonds (distance) C4'-P energy: -32.593
bonds (distance) P-C4' energy: -32.249
flat angles C4'-P-C4' energy: -27.101
flat angles P-C4'-P energy: -22.085
tors. eta vs tors. theta energy: -41.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -490.460757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.460757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.460757 (E_RNA)
where:
Base-Base interactions energy: -330.617
where: short stacking energy: -137.510
Base-Backbone interact. energy: -0.609
local terms energy: -159.234980
where:
bonds (distance) C4'-P energy: -27.407
bonds (distance) P-C4' energy: -28.056
flat angles C4'-P-C4' energy: -31.776
flat angles P-C4'-P energy: -25.022
tors. eta vs tors. theta energy: -46.973
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: 10
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -499.010169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.010169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.010169 (E_RNA)
where:
Base-Base interactions energy: -352.768
where: short stacking energy: -141.345
Base-Backbone interact. energy: 1.049
local terms energy: -147.291026
where:
bonds (distance) C4'-P energy: -28.296
bonds (distance) P-C4' energy: -21.375
flat angles C4'-P-C4' energy: -30.502
flat angles P-C4'-P energy: -23.992
tors. eta vs tors. theta energy: -43.127
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: 6
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -436.301723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.301723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.301723 (E_RNA)
where:
Base-Base interactions energy: -298.280
where: short stacking energy: -138.185
Base-Backbone interact. energy: -0.893
local terms energy: -137.127993
where:
bonds (distance) C4'-P energy: -28.056
bonds (distance) P-C4' energy: -20.990
flat angles C4'-P-C4' energy: -24.605
flat angles P-C4'-P energy: -22.252
tors. eta vs tors. theta energy: -41.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -358.180464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.180464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.180464 (E_RNA)
where:
Base-Base interactions energy: -243.012
where: short stacking energy: -102.928
Base-Backbone interact. energy: -0.455
local terms energy: -114.714279
where:
bonds (distance) C4'-P energy: -21.442
bonds (distance) P-C4' energy: -30.369
flat angles C4'-P-C4' energy: -21.221
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -23.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -213.215028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.215028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.215028 (E_RNA)
where:
Base-Base interactions energy: -117.768
where: short stacking energy: -66.519
Base-Backbone interact. energy: 0.247
local terms energy: -95.694301
where:
bonds (distance) C4'-P energy: -21.242
bonds (distance) P-C4' energy: -25.447
flat angles C4'-P-C4' energy: -26.340
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -12.403
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: 7
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -134.082283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.082283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.082283 (E_RNA)
where:
Base-Base interactions energy: -48.758
where: short stacking energy: -48.616
Base-Backbone interact. energy: -0.292
local terms energy: -85.033016
where:
bonds (distance) C4'-P energy: -26.703
bonds (distance) P-C4' energy: -26.350
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -15.738
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: 1, replica: 9
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -532.637491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.637491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.637491 (E_RNA)
where:
Base-Base interactions energy: -374.841
where: short stacking energy: -159.926
Base-Backbone interact. energy: 0.048
local terms energy: -157.843735
where:
bonds (distance) C4'-P energy: -25.552
bonds (distance) P-C4' energy: -28.480
flat angles C4'-P-C4' energy: -31.485
flat angles P-C4'-P energy: -23.471
tors. eta vs tors. theta energy: -48.855
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: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -533.612028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.612028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.612028 (E_RNA)
where:
Base-Base interactions energy: -382.594
where: short stacking energy: -164.216
Base-Backbone interact. energy: -0.630
local terms energy: -150.387983
where:
bonds (distance) C4'-P energy: -23.553
bonds (distance) P-C4' energy: -26.296
flat angles C4'-P-C4' energy: -29.109
flat angles P-C4'-P energy: -22.475
tors. eta vs tors. theta energy: -48.954
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: 3, replica: 8
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -514.832511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.832511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.832511 (E_RNA)
where:
Base-Base interactions energy: -364.443
where: short stacking energy: -151.616
Base-Backbone interact. energy: -0.066
local terms energy: -150.323454
where:
bonds (distance) C4'-P energy: -24.433
bonds (distance) P-C4' energy: -31.188
flat angles C4'-P-C4' energy: -29.566
flat angles P-C4'-P energy: -22.066
tors. eta vs tors. theta energy: -43.070
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: 5
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -508.577134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.577134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.577134 (E_RNA)
where:
Base-Base interactions energy: -352.049
where: short stacking energy: -152.331
Base-Backbone interact. energy: -0.627
local terms energy: -155.900808
where:
bonds (distance) C4'-P energy: -26.431
bonds (distance) P-C4' energy: -31.049
flat angles C4'-P-C4' energy: -33.011
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -48.413
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: 4
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -492.688159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.688159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.688159 (E_RNA)
where:
Base-Base interactions energy: -350.080
where: short stacking energy: -138.753
Base-Backbone interact. energy: 1.813
local terms energy: -144.420490
where:
bonds (distance) C4'-P energy: -27.237
bonds (distance) P-C4' energy: -26.960
flat angles C4'-P-C4' energy: -30.420
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: -40.950
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: 10
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -502.375281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.375281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.375281 (E_RNA)
where:
Base-Base interactions energy: -354.202
where: short stacking energy: -152.843
Base-Backbone interact. energy: -0.004
local terms energy: -148.168881
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -29.411
flat angles C4'-P-C4' energy: -31.397
flat angles P-C4'-P energy: -20.691
tors. eta vs tors. theta energy: -44.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -438.775934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.775934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.775934 (E_RNA)
where:
Base-Base interactions energy: -301.874
where: short stacking energy: -126.226
Base-Backbone interact. energy: -0.130
local terms energy: -136.772321
where:
bonds (distance) C4'-P energy: -28.259
bonds (distance) P-C4' energy: -30.097
flat angles C4'-P-C4' energy: -31.696
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -33.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -210.060033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.060033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.060033 (E_RNA)
where:
Base-Base interactions energy: -119.274
where: short stacking energy: -69.234
Base-Backbone interact. energy: -0.267
local terms energy: -90.519173
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -24.838
flat angles C4'-P-C4' energy: -21.377
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -10.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -374.409289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.409289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.409289 (E_RNA)
where:
Base-Base interactions energy: -254.430
where: short stacking energy: -116.483
Base-Backbone interact. energy: -0.895
local terms energy: -119.084841
where:
bonds (distance) C4'-P energy: -27.421
bonds (distance) P-C4' energy: -27.445
flat angles C4'-P-C4' energy: -20.806
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -30.024
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: 7
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -131.309258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.309258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.309258 (E_RNA)
where:
Base-Base interactions energy: -55.276
where: short stacking energy: -47.101
Base-Backbone interact. energy: 0.091
local terms energy: -76.124436
where:
bonds (distance) C4'-P energy: -23.788
bonds (distance) P-C4' energy: -24.165
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -12.522
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: 1, replica: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -548.855872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.855872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.855872 (E_RNA)
where:
Base-Base interactions energy: -385.948
where: short stacking energy: -152.757
Base-Backbone interact. energy: -0.473
local terms energy: -162.435348
where:
bonds (distance) C4'-P energy: -30.111
bonds (distance) P-C4' energy: -26.078
flat angles C4'-P-C4' energy: -33.128
flat angles P-C4'-P energy: -22.100
tors. eta vs tors. theta energy: -51.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -513.503327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.503327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.503327 (E_RNA)
where:
Base-Base interactions energy: -362.031
where: short stacking energy: -144.446
Base-Backbone interact. energy: -0.004
local terms energy: -151.467728
where:
bonds (distance) C4'-P energy: -27.540
bonds (distance) P-C4' energy: -28.845
flat angles C4'-P-C4' energy: -33.141
flat angles P-C4'-P energy: -19.930
tors. eta vs tors. theta energy: -42.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -512.637087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.637087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.637087 (E_RNA)
where:
Base-Base interactions energy: -368.337
where: short stacking energy: -138.159
Base-Backbone interact. energy: -0.206
local terms energy: -144.094881
where:
bonds (distance) C4'-P energy: -23.857
bonds (distance) P-C4' energy: -29.929
flat angles C4'-P-C4' energy: -31.175
flat angles P-C4'-P energy: -19.671
tors. eta vs tors. theta energy: -39.463
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: 4, replica: 5
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -510.247865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.247865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.247865 (E_RNA)
where:
Base-Base interactions energy: -354.670
where: short stacking energy: -154.364
Base-Backbone interact. energy: -0.107
local terms energy: -155.471211
where:
bonds (distance) C4'-P energy: -31.391
bonds (distance) P-C4' energy: -29.505
flat angles C4'-P-C4' energy: -31.177
flat angles P-C4'-P energy: -17.371
tors. eta vs tors. theta energy: -46.028
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: 4
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -498.101417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.101417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.101417 (E_RNA)
where:
Base-Base interactions energy: -364.136
where: short stacking energy: -151.319
Base-Backbone interact. energy: 0.145
local terms energy: -134.110641
where:
bonds (distance) C4'-P energy: -22.817
bonds (distance) P-C4' energy: -23.502
flat angles C4'-P-C4' energy: -28.140
flat angles P-C4'-P energy: -13.848
tors. eta vs tors. theta energy: -45.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -488.443878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.443878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.443878 (E_RNA)
where:
Base-Base interactions energy: -349.700
where: short stacking energy: -149.046
Base-Backbone interact. energy: -0.049
local terms energy: -138.694799
where:
bonds (distance) C4'-P energy: -23.175
bonds (distance) P-C4' energy: -27.215
flat angles C4'-P-C4' energy: -26.200
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -47.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -435.210519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.210519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.210519 (E_RNA)
where:
Base-Base interactions energy: -297.964
where: short stacking energy: -130.327
Base-Backbone interact. energy: -0.578
local terms energy: -136.668325
where:
bonds (distance) C4'-P energy: -29.340
bonds (distance) P-C4' energy: -23.784
flat angles C4'-P-C4' energy: -26.886
flat angles P-C4'-P energy: -21.667
tors. eta vs tors. theta energy: -34.991
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: 474
Temperature: 1.250000
Total energy: -220.404343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.404343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.404343 (E_RNA)
where:
Base-Base interactions energy: -116.884
where: short stacking energy: -72.684
Base-Backbone interact. energy: 0.769
local terms energy: -104.289377
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -27.222
flat angles C4'-P-C4' energy: -24.781
flat angles P-C4'-P energy: -17.415
tors. eta vs tors. theta energy: -17.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -387.728358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.728358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.728358 (E_RNA)
where:
Base-Base interactions energy: -262.895
where: short stacking energy: -117.639
Base-Backbone interact. energy: -0.267
local terms energy: -124.565568
where:
bonds (distance) C4'-P energy: -21.334
bonds (distance) P-C4' energy: -26.591
flat angles C4'-P-C4' energy: -26.388
flat angles P-C4'-P energy: -14.704
tors. eta vs tors. theta energy: -35.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -135.363705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.363705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.363705 (E_RNA)
where:
Base-Base interactions energy: -39.126
where: short stacking energy: -39.126
Base-Backbone interact. energy: -0.104
local terms energy: -96.133236
where:
bonds (distance) C4'-P energy: -24.542
bonds (distance) P-C4' energy: -28.464
flat angles C4'-P-C4' energy: -24.325
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -6.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -539.500158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.500158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.500158 (E_RNA)
where:
Base-Base interactions energy: -378.092
where: short stacking energy: -162.562
Base-Backbone interact. energy: -0.003
local terms energy: -161.404533
where:
bonds (distance) C4'-P energy: -29.240
bonds (distance) P-C4' energy: -31.081
flat angles C4'-P-C4' energy: -32.860
flat angles P-C4'-P energy: -23.026
tors. eta vs tors. theta energy: -45.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -524.374122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.374122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.374122 (E_RNA)
where:
Base-Base interactions energy: -374.851
where: short stacking energy: -139.027
Base-Backbone interact. energy: -0.405
local terms energy: -149.117926
where:
bonds (distance) C4'-P energy: -25.016
bonds (distance) P-C4' energy: -30.776
flat angles C4'-P-C4' energy: -33.022
flat angles P-C4'-P energy: -19.241
tors. eta vs tors. theta energy: -41.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -515.719139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.719139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.719139 (E_RNA)
where:
Base-Base interactions energy: -365.527
where: short stacking energy: -152.124
Base-Backbone interact. energy: -0.704
local terms energy: -149.487702
where:
bonds (distance) C4'-P energy: -27.030
bonds (distance) P-C4' energy: -32.449
flat angles C4'-P-C4' energy: -24.529
flat angles P-C4'-P energy: -18.723
tors. eta vs tors. theta energy: -46.757
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: 4, replica: 5
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -511.092437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.092437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.092437 (E_RNA)
where:
Base-Base interactions energy: -351.672
where: short stacking energy: -152.892
Base-Backbone interact. energy: -0.006
local terms energy: -159.414797
where:
bonds (distance) C4'-P energy: -29.017
bonds (distance) P-C4' energy: -28.376
flat angles C4'-P-C4' energy: -32.044
flat angles P-C4'-P energy: -23.732
tors. eta vs tors. theta energy: -46.246
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: 4
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -508.914966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.914966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.914966 (E_RNA)
where:
Base-Base interactions energy: -357.264
where: short stacking energy: -148.624
Base-Backbone interact. energy: -0.173
local terms energy: -151.478488
where:
bonds (distance) C4'-P energy: -21.890
bonds (distance) P-C4' energy: -29.073
flat angles C4'-P-C4' energy: -32.257
flat angles P-C4'-P energy: -20.986
tors. eta vs tors. theta energy: -47.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -508.328393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.328393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.328393 (E_RNA)
where:
Base-Base interactions energy: -366.443
where: short stacking energy: -150.209
Base-Backbone interact. energy: -0.099
local terms energy: -141.786017
where:
bonds (distance) C4'-P energy: -23.099
bonds (distance) P-C4' energy: -25.081
flat angles C4'-P-C4' energy: -26.952
flat angles P-C4'-P energy: -21.771
tors. eta vs tors. theta energy: -44.883
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: 7, replica: 6
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -416.663046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.663046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.663046 (E_RNA)
where:
Base-Base interactions energy: -283.205
where: short stacking energy: -126.271
Base-Backbone interact. energy: -0.876
local terms energy: -132.582240
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -26.235
flat angles C4'-P-C4' energy: -30.953
flat angles P-C4'-P energy: -15.314
tors. eta vs tors. theta energy: -36.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -399.179136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.179136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.179136 (E_RNA)
where:
Base-Base interactions energy: -272.628
where: short stacking energy: -128.333
Base-Backbone interact. energy: -0.050
local terms energy: -126.501081
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -23.088
flat angles C4'-P-C4' energy: -29.184
flat angles P-C4'-P energy: -18.567
tors. eta vs tors. theta energy: -39.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -222.154368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.154368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.154368 (E_RNA)
where:
Base-Base interactions energy: -129.957
where: short stacking energy: -69.946
Base-Backbone interact. energy: 1.719
local terms energy: -93.916612
where:
bonds (distance) C4'-P energy: -28.528
bonds (distance) P-C4' energy: -22.813
flat angles C4'-P-C4' energy: -21.262
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -14.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -132.541417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.541417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.541417 (E_RNA)
where:
Base-Base interactions energy: -41.691
where: short stacking energy: -41.691
Base-Backbone interact. energy: -0.372
local terms energy: -90.478355
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -27.079
flat angles C4'-P-C4' energy: -29.892
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: 0.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -534.547295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.547295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.547295 (E_RNA)
where:
Base-Base interactions energy: -377.954
where: short stacking energy: -158.989
Base-Backbone interact. energy: -0.340
local terms energy: -156.252693
where:
bonds (distance) C4'-P energy: -23.466
bonds (distance) P-C4' energy: -27.115
flat angles C4'-P-C4' energy: -34.183
flat angles P-C4'-P energy: -21.964
tors. eta vs tors. theta energy: -49.525
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: 8
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -517.110780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.110780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.110780 (E_RNA)
where:
Base-Base interactions energy: -377.892
where: short stacking energy: -155.556
Base-Backbone interact. energy: -1.086
local terms energy: -138.132668
where:
bonds (distance) C4'-P energy: -24.646
bonds (distance) P-C4' energy: -22.627
flat angles C4'-P-C4' energy: -27.343
flat angles P-C4'-P energy: -21.576
tors. eta vs tors. theta energy: -41.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -527.549269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.549269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.549269 (E_RNA)
where:
Base-Base interactions energy: -374.820
where: short stacking energy: -153.462
Base-Backbone interact. energy: -0.403
local terms energy: -152.325899
where:
bonds (distance) C4'-P energy: -23.303
bonds (distance) P-C4' energy: -28.929
flat angles C4'-P-C4' energy: -32.289
flat angles P-C4'-P energy: -25.123
tors. eta vs tors. theta energy: -42.681
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: 5
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -508.501101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.501101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.501101 (E_RNA)
where:
Base-Base interactions energy: -356.510
where: short stacking energy: -153.493
Base-Backbone interact. energy: -1.005
local terms energy: -150.986040
where:
bonds (distance) C4'-P energy: -22.098
bonds (distance) P-C4' energy: -26.897
flat angles C4'-P-C4' energy: -30.638
flat angles P-C4'-P energy: -22.662
tors. eta vs tors. theta energy: -48.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -507.240366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.240366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.240366 (E_RNA)
where:
Base-Base interactions energy: -364.356
where: short stacking energy: -152.266
Base-Backbone interact. energy: -0.591
local terms energy: -142.293521
where:
bonds (distance) C4'-P energy: -24.106
bonds (distance) P-C4' energy: -25.117
flat angles C4'-P-C4' energy: -27.576
flat angles P-C4'-P energy: -20.717
tors. eta vs tors. theta energy: -44.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -499.932912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.932912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.932912 (E_RNA)
where:
Base-Base interactions energy: -356.640
where: short stacking energy: -143.169
Base-Backbone interact. energy: -0.156
local terms energy: -143.137759
where:
bonds (distance) C4'-P energy: -26.549
bonds (distance) P-C4' energy: -22.752
flat angles C4'-P-C4' energy: -26.198
flat angles P-C4'-P energy: -22.681
tors. eta vs tors. theta energy: -44.957
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: 476
Temperature: 1.200000
Total energy: -424.525476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.525476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.525476 (E_RNA)
where:
Base-Base interactions energy: -284.812
where: short stacking energy: -122.049
Base-Backbone interact. energy: -1.433
local terms energy: -138.279993
where:
bonds (distance) C4'-P energy: -28.842
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -32.233
flat angles P-C4'-P energy: -19.668
tors. eta vs tors. theta energy: -35.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -400.910828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.910828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.910828 (E_RNA)
where:
Base-Base interactions energy: -279.571
where: short stacking energy: -109.577
Base-Backbone interact. energy: -0.249
local terms energy: -121.090346
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -21.227
flat angles C4'-P-C4' energy: -24.913
flat angles P-C4'-P energy: -18.680
tors. eta vs tors. theta energy: -35.364
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: 1
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -202.805426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.805426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.805426 (E_RNA)
where:
Base-Base interactions energy: -105.487
where: short stacking energy: -55.734
Base-Backbone interact. energy: -0.563
local terms energy: -96.755955
where:
bonds (distance) C4'-P energy: -21.192
bonds (distance) P-C4' energy: -29.194
flat angles C4'-P-C4' energy: -23.929
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -9.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -124.885793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.885793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.885793 (E_RNA)
where:
Base-Base interactions energy: -46.716
where: short stacking energy: -25.734
Base-Backbone interact. energy: -0.780
local terms energy: -77.389864
where:
bonds (distance) C4'-P energy: -28.202
bonds (distance) P-C4' energy: -24.396
flat angles C4'-P-C4' energy: -23.944
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: 5.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -538.837460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.837460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.837460 (E_RNA)
where:
Base-Base interactions energy: -373.321
where: short stacking energy: -161.300
Base-Backbone interact. energy: -0.013
local terms energy: -165.503652
where:
bonds (distance) C4'-P energy: -29.694
bonds (distance) P-C4' energy: -30.306
flat angles C4'-P-C4' energy: -30.343
flat angles P-C4'-P energy: -24.132
tors. eta vs tors. theta energy: -51.028
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: 8
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -525.939260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.939260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.939260 (E_RNA)
where:
Base-Base interactions energy: -376.275
where: short stacking energy: -149.833
Base-Backbone interact. energy: -0.878
local terms energy: -148.786179
where:
bonds (distance) C4'-P energy: -28.160
bonds (distance) P-C4' energy: -22.657
flat angles C4'-P-C4' energy: -29.016
flat angles P-C4'-P energy: -27.006
tors. eta vs tors. theta energy: -41.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -518.431594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.431594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.431594 (E_RNA)
where:
Base-Base interactions energy: -367.765
where: short stacking energy: -149.742
Base-Backbone interact. energy: -0.234
local terms energy: -150.432457
where:
bonds (distance) C4'-P energy: -27.083
bonds (distance) P-C4' energy: -29.213
flat angles C4'-P-C4' energy: -29.477
flat angles P-C4'-P energy: -22.830
tors. eta vs tors. theta energy: -41.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -513.666564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.666564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.666564 (E_RNA)
where:
Base-Base interactions energy: -373.164
where: short stacking energy: -157.069
Base-Backbone interact. energy: -0.002
local terms energy: -140.500544
where:
bonds (distance) C4'-P energy: -19.985
bonds (distance) P-C4' energy: -24.363
flat angles C4'-P-C4' energy: -30.421
flat angles P-C4'-P energy: -19.881
tors. eta vs tors. theta energy: -45.851
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: 477
Temperature: 1.100000
Total energy: -490.181305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.181305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.181305 (E_RNA)
where:
Base-Base interactions energy: -342.102
where: short stacking energy: -152.479
Base-Backbone interact. energy: -0.159
local terms energy: -147.920488
where:
bonds (distance) C4'-P energy: -27.207
bonds (distance) P-C4' energy: -29.538
flat angles C4'-P-C4' energy: -26.575
flat angles P-C4'-P energy: -16.471
tors. eta vs tors. theta energy: -48.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -495.874873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.874873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.874873 (E_RNA)
where:
Base-Base interactions energy: -350.854
where: short stacking energy: -143.831
Base-Backbone interact. energy: -0.315
local terms energy: -144.706483
where:
bonds (distance) C4'-P energy: -29.323
bonds (distance) P-C4' energy: -26.292
flat angles C4'-P-C4' energy: -29.556
flat angles P-C4'-P energy: -14.220
tors. eta vs tors. theta energy: -45.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -421.015879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.015879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.015879 (E_RNA)
where:
Base-Base interactions energy: -278.937
where: short stacking energy: -131.210
Base-Backbone interact. energy: -0.107
local terms energy: -141.971851
where:
bonds (distance) C4'-P energy: -28.142
bonds (distance) P-C4' energy: -30.792
flat angles C4'-P-C4' energy: -29.714
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -37.563
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: 477
Temperature: 1.250000
Total energy: -403.092282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.092282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.092282 (E_RNA)
where:
Base-Base interactions energy: -272.719
where: short stacking energy: -123.805
Base-Backbone interact. energy: -0.541
local terms energy: -129.831569
where:
bonds (distance) C4'-P energy: -26.384
bonds (distance) P-C4' energy: -27.246
flat angles C4'-P-C4' energy: -22.409
flat angles P-C4'-P energy: -17.806
tors. eta vs tors. theta energy: -35.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -253.985090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.985090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.985090 (E_RNA)
where:
Base-Base interactions energy: -157.050
where: short stacking energy: -68.752
Base-Backbone interact. energy: 0.637
local terms energy: -97.571620
where:
bonds (distance) C4'-P energy: -23.909
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -21.750
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -17.079
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: 7
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -122.690943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.690943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.690943 (E_RNA)
where:
Base-Base interactions energy: -45.268
where: short stacking energy: -39.006
Base-Backbone interact. energy: 3.840
local terms energy: -81.263753
where:
bonds (distance) C4'-P energy: -21.834
bonds (distance) P-C4' energy: -30.669
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -15.566
tors. eta vs tors. theta energy: 4.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -534.277422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.277422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.277422 (E_RNA)
where:
Base-Base interactions energy: -372.769
where: short stacking energy: -155.243
Base-Backbone interact. energy: -0.039
local terms energy: -161.468760
where:
bonds (distance) C4'-P energy: -28.648
bonds (distance) P-C4' energy: -30.405
flat angles C4'-P-C4' energy: -32.618
flat angles P-C4'-P energy: -21.938
tors. eta vs tors. theta energy: -47.860
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: 8
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -524.989783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.989783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.989783 (E_RNA)
where:
Base-Base interactions energy: -367.818
where: short stacking energy: -150.910
Base-Backbone interact. energy: -0.151
local terms energy: -157.020227
where:
bonds (distance) C4'-P energy: -28.591
bonds (distance) P-C4' energy: -28.404
flat angles C4'-P-C4' energy: -32.886
flat angles P-C4'-P energy: -26.249
tors. eta vs tors. theta energy: -40.889
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: 3, replica: 4
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -510.372744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.372744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.372744 (E_RNA)
where:
Base-Base interactions energy: -366.503
where: short stacking energy: -142.682
Base-Backbone interact. energy: 1.363
local terms energy: -145.232514
where:
bonds (distance) C4'-P energy: -23.039
bonds (distance) P-C4' energy: -30.473
flat angles C4'-P-C4' energy: -32.301
flat angles P-C4'-P energy: -18.613
tors. eta vs tors. theta energy: -40.806
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: 478
Temperature: 1.050000
Total energy: -503.516747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.516747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.516747 (E_RNA)
where:
Base-Base interactions energy: -354.772
where: short stacking energy: -150.203
Base-Backbone interact. energy: -0.089
local terms energy: -148.655754
where:
bonds (distance) C4'-P energy: -24.341
bonds (distance) P-C4' energy: -33.045
flat angles C4'-P-C4' energy: -32.416
flat angles P-C4'-P energy: -16.820
tors. eta vs tors. theta energy: -42.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -509.564801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.564801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.564801 (E_RNA)
where:
Base-Base interactions energy: -363.846
where: short stacking energy: -146.841
Base-Backbone interact. energy: -0.307
local terms energy: -145.412020
where:
bonds (distance) C4'-P energy: -28.267
bonds (distance) P-C4' energy: -26.265
flat angles C4'-P-C4' energy: -31.620
flat angles P-C4'-P energy: -18.070
tors. eta vs tors. theta energy: -41.189
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: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -476.068360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.068360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.068360 (E_RNA)
where:
Base-Base interactions energy: -359.320
where: short stacking energy: -149.284
Base-Backbone interact. energy: -0.469
local terms energy: -116.279123
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -20.530
flat angles C4'-P-C4' energy: -26.525
flat angles P-C4'-P energy: -18.714
tors. eta vs tors. theta energy: -41.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -419.123315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.123315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.123315 (E_RNA)
where:
Base-Base interactions energy: -281.856
where: short stacking energy: -121.281
Base-Backbone interact. energy: -0.028
local terms energy: -137.238746
where:
bonds (distance) C4'-P energy: -24.202
bonds (distance) P-C4' energy: -32.249
flat angles C4'-P-C4' energy: -22.111
flat angles P-C4'-P energy: -21.683
tors. eta vs tors. theta energy: -36.993
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: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -407.722855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.722855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.722855 (E_RNA)
where:
Base-Base interactions energy: -279.768
where: short stacking energy: -120.696
Base-Backbone interact. energy: -0.137
local terms energy: -127.818094
where:
bonds (distance) C4'-P energy: -19.836
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -26.306
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -40.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -254.633207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.633207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.633207 (E_RNA)
where:
Base-Base interactions energy: -157.420
where: short stacking energy: -66.125
Base-Backbone interact. energy: 0.631
local terms energy: -97.844548
where:
bonds (distance) C4'-P energy: -27.473
bonds (distance) P-C4' energy: -19.960
flat angles C4'-P-C4' energy: -21.651
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -16.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -128.440057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.440057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.440057 (E_RNA)
where:
Base-Base interactions energy: -37.067
where: short stacking energy: -36.420
Base-Backbone interact. energy: 0.060
local terms energy: -91.433192
where:
bonds (distance) C4'-P energy: -30.598
bonds (distance) P-C4' energy: -30.214
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -0.355
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: 1, replica: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -541.179138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.179138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.179138 (E_RNA)
where:
Base-Base interactions energy: -385.975
where: short stacking energy: -162.766
Base-Backbone interact. energy: -0.020
local terms energy: -155.184289
where:
bonds (distance) C4'-P energy: -23.947
bonds (distance) P-C4' energy: -32.163
flat angles C4'-P-C4' energy: -29.948
flat angles P-C4'-P energy: -20.374
tors. eta vs tors. theta energy: -48.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -521.483412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.483412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.483412 (E_RNA)
where:
Base-Base interactions energy: -370.489
where: short stacking energy: -152.898
Base-Backbone interact. energy: -0.700
local terms energy: -150.294239
where:
bonds (distance) C4'-P energy: -25.618
bonds (distance) P-C4' energy: -29.119
flat angles C4'-P-C4' energy: -30.839
flat angles P-C4'-P energy: -21.719
tors. eta vs tors. theta energy: -42.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -519.839426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.839426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.839426 (E_RNA)
where:
Base-Base interactions energy: -362.016
where: short stacking energy: -149.400
Base-Backbone interact. energy: -0.662
local terms energy: -157.161016
where:
bonds (distance) C4'-P energy: -28.132
bonds (distance) P-C4' energy: -30.182
flat angles C4'-P-C4' energy: -31.348
flat angles P-C4'-P energy: -23.864
tors. eta vs tors. theta energy: -43.635
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: 9
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -514.118509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.118509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.118509 (E_RNA)
where:
Base-Base interactions energy: -359.903
where: short stacking energy: -148.939
Base-Backbone interact. energy: -0.398
local terms energy: -153.817009
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -28.558
flat angles C4'-P-C4' energy: -31.067
flat angles P-C4'-P energy: -24.413
tors. eta vs tors. theta energy: -46.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -497.114279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.114279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.114279 (E_RNA)
where:
Base-Base interactions energy: -348.725
where: short stacking energy: -146.582
Base-Backbone interact. energy: -0.495
local terms energy: -147.894041
where:
bonds (distance) C4'-P energy: -22.045
bonds (distance) P-C4' energy: -26.918
flat angles C4'-P-C4' energy: -32.127
flat angles P-C4'-P energy: -21.088
tors. eta vs tors. theta energy: -45.716
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: 6, replica: 5
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -477.516071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.516071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.516071 (E_RNA)
where:
Base-Base interactions energy: -335.722
where: short stacking energy: -141.169
Base-Backbone interact. energy: -0.234
local terms energy: -141.560329
where:
bonds (distance) C4'-P energy: -22.407
bonds (distance) P-C4' energy: -25.106
flat angles C4'-P-C4' energy: -29.187
flat angles P-C4'-P energy: -20.031
tors. eta vs tors. theta energy: -44.830
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: 7, replica: 3
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -452.188264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.188264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.188264 (E_RNA)
where:
Base-Base interactions energy: -307.328
where: short stacking energy: -139.278
Base-Backbone interact. energy: -0.707
local terms energy: -144.154128
where:
bonds (distance) C4'-P energy: -22.024
bonds (distance) P-C4' energy: -28.837
flat angles C4'-P-C4' energy: -31.502
flat angles P-C4'-P energy: -21.151
tors. eta vs tors. theta energy: -40.641
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: 6
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -391.297614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.297614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.297614 (E_RNA)
where:
Base-Base interactions energy: -260.254
where: short stacking energy: -125.922
Base-Backbone interact. energy: -0.573
local terms energy: -130.470820
where:
bonds (distance) C4'-P energy: -22.245
bonds (distance) P-C4' energy: -22.954
flat angles C4'-P-C4' energy: -31.952
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -42.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -221.788442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.788442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.788442 (E_RNA)
where:
Base-Base interactions energy: -141.197
where: short stacking energy: -65.460
Base-Backbone interact. energy: -0.674
local terms energy: -79.917659
where:
bonds (distance) C4'-P energy: -22.146
bonds (distance) P-C4' energy: -25.709
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -8.052
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: 10, replica: 7
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -142.173738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.173738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.173738 (E_RNA)
where:
Base-Base interactions energy: -70.885
where: short stacking energy: -50.266
Base-Backbone interact. energy: -0.553
local terms energy: -70.735758
where:
bonds (distance) C4'-P energy: -21.027
bonds (distance) P-C4' energy: -21.656
flat angles C4'-P-C4' energy: -21.497
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: 2.282
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: 4
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -520.997441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.997441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.997441 (E_RNA)
where:
Base-Base interactions energy: -371.508
where: short stacking energy: -151.652
Base-Backbone interact. energy: -0.239
local terms energy: -149.250638
where:
bonds (distance) C4'-P energy: -34.478
bonds (distance) P-C4' energy: -19.534
flat angles C4'-P-C4' energy: -28.844
flat angles P-C4'-P energy: -25.622
tors. eta vs tors. theta energy: -40.773
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: 2, replica: 2
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -523.979721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.979721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.979721 (E_RNA)
where:
Base-Base interactions energy: -369.608
where: short stacking energy: -151.444
Base-Backbone interact. energy: -0.606
local terms energy: -153.766187
where:
bonds (distance) C4'-P energy: -30.509
bonds (distance) P-C4' energy: -27.007
flat angles C4'-P-C4' energy: -30.502
flat angles P-C4'-P energy: -22.514
tors. eta vs tors. theta energy: -43.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -522.173728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.173728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.173728 (E_RNA)
where:
Base-Base interactions energy: -368.678
where: short stacking energy: -152.284
Base-Backbone interact. energy: -0.240
local terms energy: -153.256307
where:
bonds (distance) C4'-P energy: -29.736
bonds (distance) P-C4' energy: -30.523
flat angles C4'-P-C4' energy: -32.092
flat angles P-C4'-P energy: -16.858
tors. eta vs tors. theta energy: -44.046
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: 4, replica: 9
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -507.978710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.978710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.978710 (E_RNA)
where:
Base-Base interactions energy: -359.605
where: short stacking energy: -143.778
Base-Backbone interact. energy: -0.228
local terms energy: -148.145242
where:
bonds (distance) C4'-P energy: -28.795
bonds (distance) P-C4' energy: -27.038
flat angles C4'-P-C4' energy: -31.846
flat angles P-C4'-P energy: -21.298
tors. eta vs tors. theta energy: -39.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -479.252829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.252829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.252829 (E_RNA)
where:
Base-Base interactions energy: -338.290
where: short stacking energy: -143.221
Base-Backbone interact. energy: -0.058
local terms energy: -140.905065
where:
bonds (distance) C4'-P energy: -22.881
bonds (distance) P-C4' energy: -23.543
flat angles C4'-P-C4' energy: -33.281
flat angles P-C4'-P energy: -21.867
tors. eta vs tors. theta energy: -39.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -486.480793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.480793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.480793 (E_RNA)
where:
Base-Base interactions energy: -348.770
where: short stacking energy: -145.420
Base-Backbone interact. energy: -0.030
local terms energy: -137.681633
where:
bonds (distance) C4'-P energy: -29.694
bonds (distance) P-C4' energy: -24.314
flat angles C4'-P-C4' energy: -21.962
flat angles P-C4'-P energy: -19.788
tors. eta vs tors. theta energy: -41.923
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: 7, replica: 6
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -430.356346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.356346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.356346 (E_RNA)
where:
Base-Base interactions energy: -302.742
where: short stacking energy: -136.171
Base-Backbone interact. energy: 1.090
local terms energy: -128.703689
where:
bonds (distance) C4'-P energy: -21.798
bonds (distance) P-C4' energy: -23.026
flat angles C4'-P-C4' energy: -26.619
flat angles P-C4'-P energy: -22.935
tors. eta vs tors. theta energy: -34.326
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: 3
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -402.842220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.842220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.842220 (E_RNA)
where:
Base-Base interactions energy: -280.276
where: short stacking energy: -123.108
Base-Backbone interact. energy: 1.052
local terms energy: -123.617597
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -27.169
flat angles P-C4'-P energy: -20.469
tors. eta vs tors. theta energy: -40.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -201.629126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.629126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.629126 (E_RNA)
where:
Base-Base interactions energy: -110.841
where: short stacking energy: -59.887
Base-Backbone interact. energy: -1.472
local terms energy: -89.315678
where:
bonds (distance) C4'-P energy: -24.168
bonds (distance) P-C4' energy: -24.424
flat angles C4'-P-C4' energy: -19.203
flat angles P-C4'-P energy: -16.889
tors. eta vs tors. theta energy: -4.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -144.217142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.217142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.217142 (E_RNA)
where:
Base-Base interactions energy: -62.527
where: short stacking energy: -52.658
Base-Backbone interact. energy: -0.639
local terms energy: -81.051432
where:
bonds (distance) C4'-P energy: -34.457
bonds (distance) P-C4' energy: -23.547
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: 4.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -521.665287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.665287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.665287 (E_RNA)
where:
Base-Base interactions energy: -367.837
where: short stacking energy: -147.899
Base-Backbone interact. energy: -0.557
local terms energy: -153.271378
where:
bonds (distance) C4'-P energy: -22.584
bonds (distance) P-C4' energy: -29.207
flat angles C4'-P-C4' energy: -31.983
flat angles P-C4'-P energy: -22.869
tors. eta vs tors. theta energy: -46.629
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: 481
Temperature: 0.950000
Total energy: -533.946438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.946438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.946438 (E_RNA)
where:
Base-Base interactions energy: -376.702
where: short stacking energy: -153.548
Base-Backbone interact. energy: -0.288
local terms energy: -156.956582
where:
bonds (distance) C4'-P energy: -26.098
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -33.979
flat angles P-C4'-P energy: -24.533
tors. eta vs tors. theta energy: -45.204
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: 8
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -517.834616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.834616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.834616 (E_RNA)
where:
Base-Base interactions energy: -372.460
where: short stacking energy: -153.434
Base-Backbone interact. energy: -0.108
local terms energy: -145.266637
where:
bonds (distance) C4'-P energy: -31.509
bonds (distance) P-C4' energy: -24.654
flat angles C4'-P-C4' energy: -28.916
flat angles P-C4'-P energy: -18.123
tors. eta vs tors. theta energy: -42.065
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: 10
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -515.282688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.282688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.282688 (E_RNA)
where:
Base-Base interactions energy: -364.106
where: short stacking energy: -155.942
Base-Backbone interact. energy: -0.520
local terms energy: -150.656946
where:
bonds (distance) C4'-P energy: -20.108
bonds (distance) P-C4' energy: -30.204
flat angles C4'-P-C4' energy: -31.603
flat angles P-C4'-P energy: -19.236
tors. eta vs tors. theta energy: -49.506
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: 5, replica: 9
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -500.196937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.196937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.196937 (E_RNA)
where:
Base-Base interactions energy: -350.344
where: short stacking energy: -152.626
Base-Backbone interact. energy: -0.057
local terms energy: -149.795523
where:
bonds (distance) C4'-P energy: -25.772
bonds (distance) P-C4' energy: -25.616
flat angles C4'-P-C4' energy: -27.734
flat angles P-C4'-P energy: -22.099
tors. eta vs tors. theta energy: -48.575
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: 5
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -478.194472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.194472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.194472 (E_RNA)
where:
Base-Base interactions energy: -333.363
where: short stacking energy: -145.247
Base-Backbone interact. energy: -0.455
local terms energy: -144.376577
where:
bonds (distance) C4'-P energy: -21.957
bonds (distance) P-C4' energy: -28.173
flat angles C4'-P-C4' energy: -25.979
flat angles P-C4'-P energy: -19.991
tors. eta vs tors. theta energy: -48.275
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: 6
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -433.823144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.823144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.823144 (E_RNA)
where:
Base-Base interactions energy: -301.892
where: short stacking energy: -121.928
Base-Backbone interact. energy: -1.226
local terms energy: -130.704674
where:
bonds (distance) C4'-P energy: -23.602
bonds (distance) P-C4' energy: -25.148
flat angles C4'-P-C4' energy: -30.208
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -37.637
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: 481
Temperature: 1.250000
Total energy: -398.673730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.673730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.673730 (E_RNA)
where:
Base-Base interactions energy: -268.657
where: short stacking energy: -117.237
Base-Backbone interact. energy: -0.595
local terms energy: -129.421658
where:
bonds (distance) C4'-P energy: -20.997
bonds (distance) P-C4' energy: -24.564
flat angles C4'-P-C4' energy: -28.260
flat angles P-C4'-P energy: -20.038
tors. eta vs tors. theta energy: -35.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -211.542982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.542982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.542982 (E_RNA)
where:
Base-Base interactions energy: -121.480
where: short stacking energy: -59.026
Base-Backbone interact. energy: 2.229
local terms energy: -92.292726
where:
bonds (distance) C4'-P energy: -21.934
bonds (distance) P-C4' energy: -25.292
flat angles C4'-P-C4' energy: -26.296
flat angles P-C4'-P energy: -16.591
tors. eta vs tors. theta energy: -2.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -165.831076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.831076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.831076 (E_RNA)
where:
Base-Base interactions energy: -69.862
where: short stacking energy: -50.617
Base-Backbone interact. energy: -0.330
local terms energy: -95.638882
where:
bonds (distance) C4'-P energy: -20.729
bonds (distance) P-C4' energy: -27.152
flat angles C4'-P-C4' energy: -27.061
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -9.146
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: 2
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -538.403026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.403026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.403026 (E_RNA)
where:
Base-Base interactions energy: -375.988
where: short stacking energy: -158.293
Base-Backbone interact. energy: -0.581
local terms energy: -161.833529
where:
bonds (distance) C4'-P energy: -27.544
bonds (distance) P-C4' energy: -28.719
flat angles C4'-P-C4' energy: -32.965
flat angles P-C4'-P energy: -24.793
tors. eta vs tors. theta energy: -47.812
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: 2, replica: 4
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -533.407403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.407403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.407403 (E_RNA)
where:
Base-Base interactions energy: -371.057
where: short stacking energy: -162.062
Base-Backbone interact. energy: -0.407
local terms energy: -161.943303
where:
bonds (distance) C4'-P energy: -30.507
bonds (distance) P-C4' energy: -25.569
flat angles C4'-P-C4' energy: -31.550
flat angles P-C4'-P energy: -23.390
tors. eta vs tors. theta energy: -50.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -525.996842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.996842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.996842 (E_RNA)
where:
Base-Base interactions energy: -372.489
where: short stacking energy: -158.004
Base-Backbone interact. energy: -0.059
local terms energy: -153.448796
where:
bonds (distance) C4'-P energy: -23.515
bonds (distance) P-C4' energy: -27.568
flat angles C4'-P-C4' energy: -33.308
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -49.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -508.112709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.112709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.112709 (E_RNA)
where:
Base-Base interactions energy: -367.218
where: short stacking energy: -152.433
Base-Backbone interact. energy: -0.628
local terms energy: -140.267073
where:
bonds (distance) C4'-P energy: -21.612
bonds (distance) P-C4' energy: -28.086
flat angles C4'-P-C4' energy: -27.234
flat angles P-C4'-P energy: -21.940
tors. eta vs tors. theta energy: -41.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -509.798386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.798386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.798386 (E_RNA)
where:
Base-Base interactions energy: -357.122
where: short stacking energy: -148.844
Base-Backbone interact. energy: -0.331
local terms energy: -152.344664
where:
bonds (distance) C4'-P energy: -27.161
bonds (distance) P-C4' energy: -32.972
flat angles C4'-P-C4' energy: -29.111
flat angles P-C4'-P energy: -20.785
tors. eta vs tors. theta energy: -42.316
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: 5
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -463.538652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.538652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.538652 (E_RNA)
where:
Base-Base interactions energy: -334.232
where: short stacking energy: -137.592
Base-Backbone interact. energy: -0.018
local terms energy: -129.288101
where:
bonds (distance) C4'-P energy: -20.448
bonds (distance) P-C4' energy: -23.716
flat angles C4'-P-C4' energy: -29.795
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -42.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -424.904850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.904850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.904850 (E_RNA)
where:
Base-Base interactions energy: -283.019
where: short stacking energy: -119.195
Base-Backbone interact. energy: -0.219
local terms energy: -141.667214
where:
bonds (distance) C4'-P energy: -30.271
bonds (distance) P-C4' energy: -23.877
flat angles C4'-P-C4' energy: -26.563
flat angles P-C4'-P energy: -20.086
tors. eta vs tors. theta energy: -40.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -383.658877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.658877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.658877 (E_RNA)
where:
Base-Base interactions energy: -278.145
where: short stacking energy: -123.704
Base-Backbone interact. energy: -0.176
local terms energy: -105.337395
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -21.363
flat angles C4'-P-C4' energy: -27.026
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -29.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -217.988703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.988703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.988703 (E_RNA)
where:
Base-Base interactions energy: -114.716
where: short stacking energy: -53.962
Base-Backbone interact. energy: 2.493
local terms energy: -105.764944
where:
bonds (distance) C4'-P energy: -27.696
bonds (distance) P-C4' energy: -30.908
flat angles C4'-P-C4' energy: -24.828
flat angles P-C4'-P energy: -15.237
tors. eta vs tors. theta energy: -7.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -154.801125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.801125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.801125 (E_RNA)
where:
Base-Base interactions energy: -54.679
where: short stacking energy: -46.145
Base-Backbone interact. energy: -0.143
local terms energy: -99.978726
where:
bonds (distance) C4'-P energy: -25.564
bonds (distance) P-C4' energy: -30.500
flat angles C4'-P-C4' energy: -22.518
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -3.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -538.830273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.830273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.830273 (E_RNA)
where:
Base-Base interactions energy: -384.035
where: short stacking energy: -163.247
Base-Backbone interact. energy: -0.014
local terms energy: -154.781873
where:
bonds (distance) C4'-P energy: -26.260
bonds (distance) P-C4' energy: -32.196
flat angles C4'-P-C4' energy: -28.655
flat angles P-C4'-P energy: -19.952
tors. eta vs tors. theta energy: -47.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -518.196672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.196672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.196672 (E_RNA)
where:
Base-Base interactions energy: -366.171
where: short stacking energy: -143.675
Base-Backbone interact. energy: -0.011
local terms energy: -152.015166
where:
bonds (distance) C4'-P energy: -30.132
bonds (distance) P-C4' energy: -23.112
flat angles C4'-P-C4' energy: -29.119
flat angles P-C4'-P energy: -24.843
tors. eta vs tors. theta energy: -44.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -524.512372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.512372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.512372 (E_RNA)
where:
Base-Base interactions energy: -368.356
where: short stacking energy: -153.277
Base-Backbone interact. energy: -0.562
local terms energy: -155.593842
where:
bonds (distance) C4'-P energy: -23.948
bonds (distance) P-C4' energy: -29.759
flat angles C4'-P-C4' energy: -30.722
flat angles P-C4'-P energy: -23.990
tors. eta vs tors. theta energy: -47.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -510.085618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.085618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.085618 (E_RNA)
where:
Base-Base interactions energy: -369.535
where: short stacking energy: -152.195
Base-Backbone interact. energy: -0.138
local terms energy: -140.412709
where:
bonds (distance) C4'-P energy: -25.225
bonds (distance) P-C4' energy: -26.206
flat angles C4'-P-C4' energy: -27.506
flat angles P-C4'-P energy: -21.129
tors. eta vs tors. theta energy: -40.346
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: 9
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -492.734881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.734881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.734881 (E_RNA)
where:
Base-Base interactions energy: -351.004
where: short stacking energy: -140.154
Base-Backbone interact. energy: -0.149
local terms energy: -141.581896
where:
bonds (distance) C4'-P energy: -25.213
bonds (distance) P-C4' energy: -26.828
flat angles C4'-P-C4' energy: -28.131
flat angles P-C4'-P energy: -18.226
tors. eta vs tors. theta energy: -43.184
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: 5
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -456.779569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.779569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.779569 (E_RNA)
where:
Base-Base interactions energy: -316.482
where: short stacking energy: -126.474
Base-Backbone interact. energy: -0.235
local terms energy: -140.061915
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -28.471
flat angles C4'-P-C4' energy: -33.310
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -39.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -403.996680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.996680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.996680 (E_RNA)
where:
Base-Base interactions energy: -279.050
where: short stacking energy: -125.260
Base-Backbone interact. energy: -0.509
local terms energy: -124.438220
where:
bonds (distance) C4'-P energy: -25.626
bonds (distance) P-C4' energy: -23.904
flat angles C4'-P-C4' energy: -23.016
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -36.058
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: 3
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -389.760885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.760885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.760885 (E_RNA)
where:
Base-Base interactions energy: -258.005
where: short stacking energy: -114.841
Base-Backbone interact. energy: -0.428
local terms energy: -131.328188
where:
bonds (distance) C4'-P energy: -28.781
bonds (distance) P-C4' energy: -24.885
flat angles C4'-P-C4' energy: -31.533
flat angles P-C4'-P energy: -17.688
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: 9, replica: 1
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -224.280161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.280161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.280161 (E_RNA)
where:
Base-Base interactions energy: -118.872
where: short stacking energy: -57.698
Base-Backbone interact. energy: -0.656
local terms energy: -104.751594
where:
bonds (distance) C4'-P energy: -27.071
bonds (distance) P-C4' energy: -28.156
flat angles C4'-P-C4' energy: -29.382
flat angles P-C4'-P energy: -15.772
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -139.552032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.552032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.552032 (E_RNA)
where:
Base-Base interactions energy: -42.830
where: short stacking energy: -35.681
Base-Backbone interact. energy: -0.491
local terms energy: -96.230455
where:
bonds (distance) C4'-P energy: -30.430
bonds (distance) P-C4' energy: -28.355
flat angles C4'-P-C4' energy: -23.285
flat angles P-C4'-P energy: -15.875
tors. eta vs tors. theta energy: 1.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -530.575131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.575131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.575131 (E_RNA)
where:
Base-Base interactions energy: -371.879
where: short stacking energy: -144.926
Base-Backbone interact. energy: -1.244
local terms energy: -157.452301
where:
bonds (distance) C4'-P energy: -30.614
bonds (distance) P-C4' energy: -27.428
flat angles C4'-P-C4' energy: -32.710
flat angles P-C4'-P energy: -23.271
tors. eta vs tors. theta energy: -43.429
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: 2
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -520.236480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.236480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.236480 (E_RNA)
where:
Base-Base interactions energy: -359.545
where: short stacking energy: -145.182
Base-Backbone interact. energy: -0.153
local terms energy: -160.538643
where:
bonds (distance) C4'-P energy: -29.957
bonds (distance) P-C4' energy: -31.574
flat angles C4'-P-C4' energy: -29.945
flat angles P-C4'-P energy: -26.031
tors. eta vs tors. theta energy: -43.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -518.958882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.958882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.958882 (E_RNA)
where:
Base-Base interactions energy: -369.290
where: short stacking energy: -146.381
Base-Backbone interact. energy: -0.734
local terms energy: -148.935127
where:
bonds (distance) C4'-P energy: -30.453
bonds (distance) P-C4' energy: -23.791
flat angles C4'-P-C4' energy: -31.497
flat angles P-C4'-P energy: -19.546
tors. eta vs tors. theta energy: -43.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -503.678956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.678956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.678956 (E_RNA)
where:
Base-Base interactions energy: -353.401
where: short stacking energy: -149.147
Base-Backbone interact. energy: -0.335
local terms energy: -149.942511
where:
bonds (distance) C4'-P energy: -28.429
bonds (distance) P-C4' energy: -23.971
flat angles C4'-P-C4' energy: -32.333
flat angles P-C4'-P energy: -22.026
tors. eta vs tors. theta energy: -43.183
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: 5
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -483.539047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.539047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.539047 (E_RNA)
where:
Base-Base interactions energy: -333.623
where: short stacking energy: -150.730
Base-Backbone interact. energy: -0.015
local terms energy: -149.901511
where:
bonds (distance) C4'-P energy: -23.039
bonds (distance) P-C4' energy: -27.528
flat angles C4'-P-C4' energy: -29.347
flat angles P-C4'-P energy: -24.717
tors. eta vs tors. theta energy: -45.271
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: 9
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -498.859671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.859671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.859671 (E_RNA)
where:
Base-Base interactions energy: -364.931
where: short stacking energy: -152.945
Base-Backbone interact. energy: 0.778
local terms energy: -134.706611
where:
bonds (distance) C4'-P energy: -20.543
bonds (distance) P-C4' energy: -23.712
flat angles C4'-P-C4' energy: -22.934
flat angles P-C4'-P energy: -24.157
tors. eta vs tors. theta energy: -43.361
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: 484
Temperature: 1.200000
Total energy: -424.177772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.177772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.177772 (E_RNA)
where:
Base-Base interactions energy: -289.231
where: short stacking energy: -123.720
Base-Backbone interact. energy: -0.176
local terms energy: -134.770554
where:
bonds (distance) C4'-P energy: -26.231
bonds (distance) P-C4' energy: -26.592
flat angles C4'-P-C4' energy: -30.295
flat angles P-C4'-P energy: -17.446
tors. eta vs tors. theta energy: -34.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -394.785039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.785039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.785039 (E_RNA)
where:
Base-Base interactions energy: -277.068
where: short stacking energy: -117.131
Base-Backbone interact. energy: -0.447
local terms energy: -117.270692
where:
bonds (distance) C4'-P energy: -23.951
bonds (distance) P-C4' energy: -25.625
flat angles C4'-P-C4' energy: -26.760
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -26.320
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: 1
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -212.243278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.243278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.243278 (E_RNA)
where:
Base-Base interactions energy: -110.378
where: short stacking energy: -68.387
Base-Backbone interact. energy: 0.655
local terms energy: -102.520147
where:
bonds (distance) C4'-P energy: -24.177
bonds (distance) P-C4' energy: -31.268
flat angles C4'-P-C4' energy: -24.311
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -10.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -138.465836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.465836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.465836 (E_RNA)
where:
Base-Base interactions energy: -50.238
where: short stacking energy: -41.454
Base-Backbone interact. energy: -0.577
local terms energy: -87.650315
where:
bonds (distance) C4'-P energy: -29.835
bonds (distance) P-C4' energy: -23.527
flat angles C4'-P-C4' energy: -25.891
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: 3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -540.463765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.463765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.463765 (E_RNA)
where:
Base-Base interactions energy: -380.572
where: short stacking energy: -152.440
Base-Backbone interact. energy: -0.226
local terms energy: -159.665416
where:
bonds (distance) C4'-P energy: -31.430
bonds (distance) P-C4' energy: -25.126
flat angles C4'-P-C4' energy: -32.955
flat angles P-C4'-P energy: -22.920
tors. eta vs tors. theta energy: -47.233
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: 4
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -523.157522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.157522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.157522 (E_RNA)
where:
Base-Base interactions energy: -379.152
where: short stacking energy: -144.233
Base-Backbone interact. energy: -0.250
local terms energy: -143.756245
where:
bonds (distance) C4'-P energy: -21.435
bonds (distance) P-C4' energy: -29.528
flat angles C4'-P-C4' energy: -26.537
flat angles P-C4'-P energy: -23.816
tors. eta vs tors. theta energy: -42.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -520.800936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.800936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.800936 (E_RNA)
where:
Base-Base interactions energy: -366.637
where: short stacking energy: -153.552
Base-Backbone interact. energy: -0.145
local terms energy: -154.018339
where:
bonds (distance) C4'-P energy: -29.589
bonds (distance) P-C4' energy: -28.950
flat angles C4'-P-C4' energy: -31.774
flat angles P-C4'-P energy: -20.735
tors. eta vs tors. theta energy: -42.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -521.344646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.344646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.344646 (E_RNA)
where:
Base-Base interactions energy: -366.330
where: short stacking energy: -150.547
Base-Backbone interact. energy: -0.212
local terms energy: -154.803167
where:
bonds (distance) C4'-P energy: -29.452
bonds (distance) P-C4' energy: -27.755
flat angles C4'-P-C4' energy: -32.171
flat angles P-C4'-P energy: -21.719
tors. eta vs tors. theta energy: -43.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -490.531257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.531257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.531257 (E_RNA)
where:
Base-Base interactions energy: -343.904
where: short stacking energy: -141.213
Base-Backbone interact. energy: -0.239
local terms energy: -146.388236
where:
bonds (distance) C4'-P energy: -23.886
bonds (distance) P-C4' energy: -29.312
flat angles C4'-P-C4' energy: -32.941
flat angles P-C4'-P energy: -18.113
tors. eta vs tors. theta energy: -42.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -482.413769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.413769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.413769 (E_RNA)
where:
Base-Base interactions energy: -363.599
where: short stacking energy: -141.961
Base-Backbone interact. energy: -0.051
local terms energy: -118.764273
where:
bonds (distance) C4'-P energy: -20.816
bonds (distance) P-C4' energy: -23.958
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -38.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -432.667860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.667860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.667860 (E_RNA)
where:
Base-Base interactions energy: -295.598
where: short stacking energy: -133.082
Base-Backbone interact. energy: -0.563
local terms energy: -136.507301
where:
bonds (distance) C4'-P energy: -21.921
bonds (distance) P-C4' energy: -26.548
flat angles C4'-P-C4' energy: -30.407
flat angles P-C4'-P energy: -19.707
tors. eta vs tors. theta energy: -37.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -376.339596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.339596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.339596 (E_RNA)
where:
Base-Base interactions energy: -276.132
where: short stacking energy: -117.853
Base-Backbone interact. energy: 0.594
local terms energy: -100.801900
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -24.822
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -30.107
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: 9, replica: 1
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -196.985388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.985388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.985388 (E_RNA)
where:
Base-Base interactions energy: -92.913
where: short stacking energy: -54.986
Base-Backbone interact. energy: -0.414
local terms energy: -103.658089
where:
bonds (distance) C4'-P energy: -27.803
bonds (distance) P-C4' energy: -29.658
flat angles C4'-P-C4' energy: -29.162
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -6.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -144.854460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.854460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.854460 (E_RNA)
where:
Base-Base interactions energy: -61.685
where: short stacking energy: -58.293
Base-Backbone interact. energy: 0.840
local terms energy: -84.009563
where:
bonds (distance) C4'-P energy: -20.697
bonds (distance) P-C4' energy: -23.270
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -14.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -531.053895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.053895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.053895 (E_RNA)
where:
Base-Base interactions energy: -375.750
where: short stacking energy: -147.752
Base-Backbone interact. energy: -0.051
local terms energy: -155.252874
where:
bonds (distance) C4'-P energy: -28.293
bonds (distance) P-C4' energy: -29.106
flat angles C4'-P-C4' energy: -30.950
flat angles P-C4'-P energy: -24.887
tors. eta vs tors. theta energy: -42.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -515.147892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.147892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.147892 (E_RNA)
where:
Base-Base interactions energy: -353.648
where: short stacking energy: -154.158
Base-Backbone interact. energy: -0.024
local terms energy: -161.476650
where:
bonds (distance) C4'-P energy: -27.901
bonds (distance) P-C4' energy: -30.055
flat angles C4'-P-C4' energy: -29.738
flat angles P-C4'-P energy: -27.353
tors. eta vs tors. theta energy: -46.430
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: 8
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -516.471570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.471570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.471570 (E_RNA)
where:
Base-Base interactions energy: -370.524
where: short stacking energy: -151.209
Base-Backbone interact. energy: -0.595
local terms energy: -145.352813
where:
bonds (distance) C4'-P energy: -23.630
bonds (distance) P-C4' energy: -25.329
flat angles C4'-P-C4' energy: -28.611
flat angles P-C4'-P energy: -23.117
tors. eta vs tors. theta energy: -44.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -512.525780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.525780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.525780 (E_RNA)
where:
Base-Base interactions energy: -358.918
where: short stacking energy: -151.506
Base-Backbone interact. energy: -0.450
local terms energy: -153.157773
where:
bonds (distance) C4'-P energy: -26.690
bonds (distance) P-C4' energy: -27.516
flat angles C4'-P-C4' energy: -31.927
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -48.723
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: 9
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -486.452114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.452114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.452114 (E_RNA)
where:
Base-Base interactions energy: -339.808
where: short stacking energy: -134.531
Base-Backbone interact. energy: 0.246
local terms energy: -146.890211
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.480
flat angles C4'-P-C4' energy: -34.642
flat angles P-C4'-P energy: -18.393
tors. eta vs tors. theta energy: -39.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -468.330675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.330675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.330675 (E_RNA)
where:
Base-Base interactions energy: -346.132
where: short stacking energy: -141.772
Base-Backbone interact. energy: -0.064
local terms energy: -122.134522
where:
bonds (distance) C4'-P energy: -19.632
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -28.067
flat angles P-C4'-P energy: -19.689
tors. eta vs tors. theta energy: -37.699
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: 6
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -423.742704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.742704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.742704 (E_RNA)
where:
Base-Base interactions energy: -307.603
where: short stacking energy: -136.184
Base-Backbone interact. energy: -0.072
local terms energy: -116.068612
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -23.826
flat angles C4'-P-C4' energy: -27.465
flat angles P-C4'-P energy: -14.949
tors. eta vs tors. theta energy: -37.089
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: 3
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -333.926861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.926861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.926861 (E_RNA)
where:
Base-Base interactions energy: -214.260
where: short stacking energy: -100.509
Base-Backbone interact. energy: -0.039
local terms energy: -119.627523
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -27.405
flat angles C4'-P-C4' energy: -28.527
flat angles P-C4'-P energy: -24.993
tors. eta vs tors. theta energy: -19.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -237.196995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.196995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.196995 (E_RNA)
where:
Base-Base interactions energy: -132.955
where: short stacking energy: -78.560
Base-Backbone interact. energy: 1.973
local terms energy: -106.215152
where:
bonds (distance) C4'-P energy: -25.601
bonds (distance) P-C4' energy: -25.767
flat angles C4'-P-C4' energy: -22.296
flat angles P-C4'-P energy: -21.368
tors. eta vs tors. theta energy: -11.182
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: 7
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -130.157592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.157592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.157592 (E_RNA)
where:
Base-Base interactions energy: -36.822
where: short stacking energy: -35.487
Base-Backbone interact. energy: -0.288
local terms energy: -93.048279
where:
bonds (distance) C4'-P energy: -27.560
bonds (distance) P-C4' energy: -28.180
flat angles C4'-P-C4' energy: -26.595
flat angles P-C4'-P energy: -12.278
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: 4
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -528.925152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.925152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.925152 (E_RNA)
where:
Base-Base interactions energy: -378.550
where: short stacking energy: -150.329
Base-Backbone interact. energy: -0.511
local terms energy: -149.864425
where:
bonds (distance) C4'-P energy: -27.800
bonds (distance) P-C4' energy: -28.196
flat angles C4'-P-C4' energy: -31.926
flat angles P-C4'-P energy: -25.982
tors. eta vs tors. theta energy: -35.961
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: 8
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -538.151987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.151987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.151987 (E_RNA)
where:
Base-Base interactions energy: -372.704
where: short stacking energy: -157.630
Base-Backbone interact. energy: -0.021
local terms energy: -165.427355
where:
bonds (distance) C4'-P energy: -29.315
bonds (distance) P-C4' energy: -31.092
flat angles C4'-P-C4' energy: -30.634
flat angles P-C4'-P energy: -26.814
tors. eta vs tors. theta energy: -47.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -522.526860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.526860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.526860 (E_RNA)
where:
Base-Base interactions energy: -366.015
where: short stacking energy: -147.265
Base-Backbone interact. energy: -1.518
local terms energy: -154.993918
where:
bonds (distance) C4'-P energy: -26.708
bonds (distance) P-C4' energy: -23.686
flat angles C4'-P-C4' energy: -33.547
flat angles P-C4'-P energy: -23.890
tors. eta vs tors. theta energy: -47.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -506.662397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.662397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.662397 (E_RNA)
where:
Base-Base interactions energy: -360.949
where: short stacking energy: -149.671
Base-Backbone interact. energy: -0.742
local terms energy: -144.971344
where:
bonds (distance) C4'-P energy: -26.566
bonds (distance) P-C4' energy: -27.602
flat angles C4'-P-C4' energy: -31.458
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -45.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -501.001243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.001243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.001243 (E_RNA)
where:
Base-Base interactions energy: -364.698
where: short stacking energy: -140.236
Base-Backbone interact. energy: -0.392
local terms energy: -135.910991
where:
bonds (distance) C4'-P energy: -24.552
bonds (distance) P-C4' energy: -22.845
flat angles C4'-P-C4' energy: -28.184
flat angles P-C4'-P energy: -17.254
tors. eta vs tors. theta energy: -43.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -462.584256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.584256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.584256 (E_RNA)
where:
Base-Base interactions energy: -326.593
where: short stacking energy: -149.452
Base-Backbone interact. energy: 2.360
local terms energy: -138.351698
where:
bonds (distance) C4'-P energy: -17.640
bonds (distance) P-C4' energy: -20.153
flat angles C4'-P-C4' energy: -33.448
flat angles P-C4'-P energy: -20.819
tors. eta vs tors. theta energy: -46.292
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: 6
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -409.184446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.184446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.184446 (E_RNA)
where:
Base-Base interactions energy: -274.235
where: short stacking energy: -125.372
Base-Backbone interact. energy: 2.295
local terms energy: -137.244242
where:
bonds (distance) C4'-P energy: -24.653
bonds (distance) P-C4' energy: -27.860
flat angles C4'-P-C4' energy: -27.602
flat angles P-C4'-P energy: -18.910
tors. eta vs tors. theta energy: -38.220
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: 3
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -308.053454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.053454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.053454 (E_RNA)
where:
Base-Base interactions energy: -193.139
where: short stacking energy: -93.600
Base-Backbone interact. energy: -0.353
local terms energy: -114.561671
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -21.361
flat angles C4'-P-C4' energy: -33.509
flat angles P-C4'-P energy: -21.988
tors. eta vs tors. theta energy: -20.144
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: 487
Temperature: 1.300000
Total energy: -211.214378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.214378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.214378 (E_RNA)
where:
Base-Base interactions energy: -117.294
where: short stacking energy: -59.586
Base-Backbone interact. energy: -0.320
local terms energy: -93.600573
where:
bonds (distance) C4'-P energy: -26.300
bonds (distance) P-C4' energy: -22.329
flat angles C4'-P-C4' energy: -25.612
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -6.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -128.155614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.155614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.155614 (E_RNA)
where:
Base-Base interactions energy: -50.030
where: short stacking energy: -45.788
Base-Backbone interact. energy: 1.330
local terms energy: -79.455300
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -28.831
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -16.902
tors. eta vs tors. theta energy: 0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -543.869291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.869291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.869291 (E_RNA)
where:
Base-Base interactions energy: -378.456
where: short stacking energy: -159.820
Base-Backbone interact. energy: 0.117
local terms energy: -165.530645
where:
bonds (distance) C4'-P energy: -29.983
bonds (distance) P-C4' energy: -29.799
flat angles C4'-P-C4' energy: -33.146
flat angles P-C4'-P energy: -25.085
tors. eta vs tors. theta energy: -47.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -523.119673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.119673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.119673 (E_RNA)
where:
Base-Base interactions energy: -372.514
where: short stacking energy: -151.478
Base-Backbone interact. energy: -0.387
local terms energy: -150.219167
where:
bonds (distance) C4'-P energy: -27.687
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -35.059
flat angles P-C4'-P energy: -23.574
tors. eta vs tors. theta energy: -45.006
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: 9
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -514.676066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.676066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.676066 (E_RNA)
where:
Base-Base interactions energy: -358.763
where: short stacking energy: -157.148
Base-Backbone interact. energy: -0.033
local terms energy: -155.879825
where:
bonds (distance) C4'-P energy: -25.534
bonds (distance) P-C4' energy: -28.005
flat angles C4'-P-C4' energy: -31.691
flat angles P-C4'-P energy: -23.581
tors. eta vs tors. theta energy: -47.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -516.355157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.355157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.355157 (E_RNA)
where:
Base-Base interactions energy: -373.731
where: short stacking energy: -151.007
Base-Backbone interact. energy: -0.113
local terms energy: -142.511516
where:
bonds (distance) C4'-P energy: -24.943
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -31.648
flat angles P-C4'-P energy: -23.217
tors. eta vs tors. theta energy: -43.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -478.930360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.930360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.930360 (E_RNA)
where:
Base-Base interactions energy: -336.983
where: short stacking energy: -140.144
Base-Backbone interact. energy: -0.027
local terms energy: -141.920115
where:
bonds (distance) C4'-P energy: -27.434
bonds (distance) P-C4' energy: -21.220
flat angles C4'-P-C4' energy: -30.372
flat angles P-C4'-P energy: -19.641
tors. eta vs tors. theta energy: -43.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -486.197800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.197800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.197800 (E_RNA)
where:
Base-Base interactions energy: -349.009
where: short stacking energy: -146.431
Base-Backbone interact. energy: -0.519
local terms energy: -136.669623
where:
bonds (distance) C4'-P energy: -25.581
bonds (distance) P-C4' energy: -19.680
flat angles C4'-P-C4' energy: -29.071
flat angles P-C4'-P energy: -20.538
tors. eta vs tors. theta energy: -41.800
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: 6
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -430.296782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.296782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.296782 (E_RNA)
where:
Base-Base interactions energy: -308.794
where: short stacking energy: -127.463
Base-Backbone interact. energy: -0.116
local terms energy: -121.386754
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -21.396
flat angles C4'-P-C4' energy: -27.023
flat angles P-C4'-P energy: -19.921
tors. eta vs tors. theta energy: -33.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -278.557856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.557856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.557856 (E_RNA)
where:
Base-Base interactions energy: -178.549
where: short stacking energy: -79.104
Base-Backbone interact. energy: 0.052
local terms energy: -100.060823
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -17.589
tors. eta vs tors. theta energy: -22.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -213.593311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.593311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.593311 (E_RNA)
where:
Base-Base interactions energy: -128.181
where: short stacking energy: -65.054
Base-Backbone interact. energy: -0.148
local terms energy: -85.263956
where:
bonds (distance) C4'-P energy: -22.286
bonds (distance) P-C4' energy: -26.872
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -10.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -145.749484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.749484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.749484 (E_RNA)
where:
Base-Base interactions energy: -54.330
where: short stacking energy: -31.264
Base-Backbone interact. energy: -0.874
local terms energy: -90.544890
where:
bonds (distance) C4'-P energy: -24.728
bonds (distance) P-C4' energy: -26.304
flat angles C4'-P-C4' energy: -25.496
flat angles P-C4'-P energy: -19.885
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: 1, replica: 8
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -535.648614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.648614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.648614 (E_RNA)
where:
Base-Base interactions energy: -376.029
where: short stacking energy: -152.000
Base-Backbone interact. energy: -1.388
local terms energy: -158.231061
where:
bonds (distance) C4'-P energy: -28.467
bonds (distance) P-C4' energy: -29.845
flat angles C4'-P-C4' energy: -31.848
flat angles P-C4'-P energy: -22.767
tors. eta vs tors. theta energy: -45.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -523.405188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.405188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.405188 (E_RNA)
where:
Base-Base interactions energy: -374.999
where: short stacking energy: -159.895
Base-Backbone interact. energy: -0.380
local terms energy: -148.025508
where:
bonds (distance) C4'-P energy: -28.693
bonds (distance) P-C4' energy: -26.073
flat angles C4'-P-C4' energy: -27.743
flat angles P-C4'-P energy: -19.043
tors. eta vs tors. theta energy: -46.473
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: 4
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -520.408753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.408753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.408753 (E_RNA)
where:
Base-Base interactions energy: -379.712
where: short stacking energy: -155.507
Base-Backbone interact. energy: -0.806
local terms energy: -139.890618
where:
bonds (distance) C4'-P energy: -25.331
bonds (distance) P-C4' energy: -26.173
flat angles C4'-P-C4' energy: -30.280
flat angles P-C4'-P energy: -19.641
tors. eta vs tors. theta energy: -38.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -516.557165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.557165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.557165 (E_RNA)
where:
Base-Base interactions energy: -365.579
where: short stacking energy: -152.921
Base-Backbone interact. energy: -0.020
local terms energy: -150.958247
where:
bonds (distance) C4'-P energy: -29.054
bonds (distance) P-C4' energy: -27.005
flat angles C4'-P-C4' energy: -32.846
flat angles P-C4'-P energy: -20.656
tors. eta vs tors. theta energy: -41.398
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: 5
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -469.945150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.945150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.945150 (E_RNA)
where:
Base-Base interactions energy: -329.508
where: short stacking energy: -141.462
Base-Backbone interact. energy: -0.795
local terms energy: -139.642295
where:
bonds (distance) C4'-P energy: -27.689
bonds (distance) P-C4' energy: -25.997
flat angles C4'-P-C4' energy: -29.038
flat angles P-C4'-P energy: -14.380
tors. eta vs tors. theta energy: -42.537
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: 2
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -490.549065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.549065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.549065 (E_RNA)
where:
Base-Base interactions energy: -358.345
where: short stacking energy: -154.567
Base-Backbone interact. energy: -0.611
local terms energy: -131.593113
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -25.358
flat angles C4'-P-C4' energy: -29.400
flat angles P-C4'-P energy: -19.776
tors. eta vs tors. theta energy: -40.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -425.245173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.245173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.245173 (E_RNA)
where:
Base-Base interactions energy: -294.475
where: short stacking energy: -128.378
Base-Backbone interact. energy: -0.253
local terms energy: -130.516764
where:
bonds (distance) C4'-P energy: -24.446
bonds (distance) P-C4' energy: -29.158
flat angles C4'-P-C4' energy: -27.857
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -34.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -314.767906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.767906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.767906 (E_RNA)
where:
Base-Base interactions energy: -204.371
where: short stacking energy: -103.944
Base-Backbone interact. energy: -0.058
local terms energy: -110.338169
where:
bonds (distance) C4'-P energy: -18.134
bonds (distance) P-C4' energy: -23.639
flat angles C4'-P-C4' energy: -20.627
flat angles P-C4'-P energy: -21.426
tors. eta vs tors. theta energy: -26.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -199.648234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.648234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.648234 (E_RNA)
where:
Base-Base interactions energy: -112.799
where: short stacking energy: -53.634
Base-Backbone interact. energy: 1.960
local terms energy: -88.809001
where:
bonds (distance) C4'-P energy: -26.678
bonds (distance) P-C4' energy: -24.584
flat angles C4'-P-C4' energy: -23.822
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -6.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -126.030069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.030069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.030069 (E_RNA)
where:
Base-Base interactions energy: -50.129
where: short stacking energy: -42.714
Base-Backbone interact. energy: -1.807
local terms energy: -74.094192
where:
bonds (distance) C4'-P energy: -25.667
bonds (distance) P-C4' energy: -28.095
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: -1.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -532.267966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.267966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.267966 (E_RNA)
where:
Base-Base interactions energy: -376.129
where: short stacking energy: -162.615
Base-Backbone interact. energy: -0.062
local terms energy: -156.077052
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -31.913
flat angles C4'-P-C4' energy: -28.786
flat angles P-C4'-P energy: -24.939
tors. eta vs tors. theta energy: -49.561
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: 8
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -526.646646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.646646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.646646 (E_RNA)
where:
Base-Base interactions energy: -370.386
where: short stacking energy: -157.077
Base-Backbone interact. energy: -0.743
local terms energy: -155.517823
where:
bonds (distance) C4'-P energy: -31.137
bonds (distance) P-C4' energy: -27.306
flat angles C4'-P-C4' energy: -32.989
flat angles P-C4'-P energy: -20.773
tors. eta vs tors. theta energy: -43.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -509.058748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.058748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.058748 (E_RNA)
where:
Base-Base interactions energy: -358.172
where: short stacking energy: -139.013
Base-Backbone interact. energy: -0.505
local terms energy: -150.381691
where:
bonds (distance) C4'-P energy: -27.045
bonds (distance) P-C4' energy: -30.541
flat angles C4'-P-C4' energy: -33.778
flat angles P-C4'-P energy: -20.802
tors. eta vs tors. theta energy: -38.216
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: 490
Temperature: 1.050000
Total energy: -521.550641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.550641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.550641 (E_RNA)
where:
Base-Base interactions energy: -368.161
where: short stacking energy: -149.438
Base-Backbone interact. energy: -0.002
local terms energy: -153.387966
where:
bonds (distance) C4'-P energy: -23.055
bonds (distance) P-C4' energy: -26.471
flat angles C4'-P-C4' energy: -29.550
flat angles P-C4'-P energy: -27.027
tors. eta vs tors. theta energy: -47.286
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: 2
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -491.001387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.001387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.001387 (E_RNA)
where:
Base-Base interactions energy: -348.367
where: short stacking energy: -130.275
Base-Backbone interact. energy: -0.221
local terms energy: -142.412798
where:
bonds (distance) C4'-P energy: -31.066
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -31.199
flat angles P-C4'-P energy: -21.139
tors. eta vs tors. theta energy: -39.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -485.102999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.102999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.102999 (E_RNA)
where:
Base-Base interactions energy: -348.742
where: short stacking energy: -139.225
Base-Backbone interact. energy: -1.308
local terms energy: -135.053694
where:
bonds (distance) C4'-P energy: -29.597
bonds (distance) P-C4' energy: -29.088
flat angles C4'-P-C4' energy: -20.451
flat angles P-C4'-P energy: -18.576
tors. eta vs tors. theta energy: -37.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -425.045408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.045408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.045408 (E_RNA)
where:
Base-Base interactions energy: -299.510
where: short stacking energy: -121.490
Base-Backbone interact. energy: 0.492
local terms energy: -126.027398
where:
bonds (distance) C4'-P energy: -23.733
bonds (distance) P-C4' energy: -25.142
flat angles C4'-P-C4' energy: -23.733
flat angles P-C4'-P energy: -17.359
tors. eta vs tors. theta energy: -36.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -310.567970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.567970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.567970 (E_RNA)
where:
Base-Base interactions energy: -203.060
where: short stacking energy: -98.782
Base-Backbone interact. energy: -0.235
local terms energy: -107.272906
where:
bonds (distance) C4'-P energy: -24.730
bonds (distance) P-C4' energy: -22.876
flat angles C4'-P-C4' energy: -28.131
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -21.163
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: 1
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -209.995745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.995745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.995745 (E_RNA)
where:
Base-Base interactions energy: -113.307
where: short stacking energy: -58.248
Base-Backbone interact. energy: -0.503
local terms energy: -96.185388
where:
bonds (distance) C4'-P energy: -29.053
bonds (distance) P-C4' energy: -27.386
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -11.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -152.558058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.558058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.558058 (E_RNA)
where:
Base-Base interactions energy: -58.375
where: short stacking energy: -41.066
Base-Backbone interact. energy: -0.306
local terms energy: -93.877120
where:
bonds (distance) C4'-P energy: -21.402
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -22.288
flat angles P-C4'-P energy: -14.967
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: 1, replica: 9
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -541.125725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.125725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.125725 (E_RNA)
where:
Base-Base interactions energy: -381.927
where: short stacking energy: -150.919
Base-Backbone interact. energy: -0.997
local terms energy: -158.201698
where:
bonds (distance) C4'-P energy: -27.149
bonds (distance) P-C4' energy: -29.650
flat angles C4'-P-C4' energy: -29.940
flat angles P-C4'-P energy: -22.360
tors. eta vs tors. theta energy: -49.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -523.786013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.786013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.786013 (E_RNA)
where:
Base-Base interactions energy: -368.185
where: short stacking energy: -161.005
Base-Backbone interact. energy: -0.004
local terms energy: -155.596977
where:
bonds (distance) C4'-P energy: -23.672
bonds (distance) P-C4' energy: -29.557
flat angles C4'-P-C4' energy: -30.365
flat angles P-C4'-P energy: -24.100
tors. eta vs tors. theta energy: -47.904
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: 4
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -517.602291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.602291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.602291 (E_RNA)
where:
Base-Base interactions energy: -362.097
where: short stacking energy: -149.503
Base-Backbone interact. energy: -0.436
local terms energy: -155.068974
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -32.017
flat angles C4'-P-C4' energy: -34.000
flat angles P-C4'-P energy: -26.271
tors. eta vs tors. theta energy: -42.819
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: 4, replica: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -494.674905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.674905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.674905 (E_RNA)
where:
Base-Base interactions energy: -367.192
where: short stacking energy: -135.483
Base-Backbone interact. energy: -1.241
local terms energy: -126.241992
where:
bonds (distance) C4'-P energy: -24.127
bonds (distance) P-C4' energy: -26.811
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -21.876
tors. eta vs tors. theta energy: -35.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -493.083707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.083707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.083707 (E_RNA)
where:
Base-Base interactions energy: -352.131
where: short stacking energy: -149.719
Base-Backbone interact. energy: -0.009
local terms energy: -140.943328
where:
bonds (distance) C4'-P energy: -28.844
bonds (distance) P-C4' energy: -26.032
flat angles C4'-P-C4' energy: -22.933
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -46.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -417.579963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.579963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.579963 (E_RNA)
where:
Base-Base interactions energy: -284.331
where: short stacking energy: -118.841
Base-Backbone interact. energy: -0.058
local terms energy: -133.191243
where:
bonds (distance) C4'-P energy: -26.830
bonds (distance) P-C4' energy: -29.713
flat angles C4'-P-C4' energy: -30.412
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -33.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -460.805842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.805842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.805842 (E_RNA)
where:
Base-Base interactions energy: -311.363
where: short stacking energy: -139.507
Base-Backbone interact. energy: -2.239
local terms energy: -147.203703
where:
bonds (distance) C4'-P energy: -27.812
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -32.824
flat angles P-C4'-P energy: -21.009
tors. eta vs tors. theta energy: -46.522
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: 3
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -270.418616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.418616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.418616 (E_RNA)
where:
Base-Base interactions energy: -170.749
where: short stacking energy: -84.720
Base-Backbone interact. energy: -1.763
local terms energy: -97.906089
where:
bonds (distance) C4'-P energy: -24.716
bonds (distance) P-C4' energy: -23.346
flat angles C4'-P-C4' energy: -24.617
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -13.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -219.646643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.646643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.646643 (E_RNA)
where:
Base-Base interactions energy: -134.002
where: short stacking energy: -78.512
Base-Backbone interact. energy: -0.082
local terms energy: -85.561739
where:
bonds (distance) C4'-P energy: -20.380
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -24.193
flat angles P-C4'-P energy: -8.463
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: 10, replica: 7
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -134.696618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.696618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.696618 (E_RNA)
where:
Base-Base interactions energy: -57.371
where: short stacking energy: -45.303
Base-Backbone interact. energy: 0.625
local terms energy: -77.951004
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -29.770
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: 2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -533.601443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.601443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.601443 (E_RNA)
where:
Base-Base interactions energy: -378.526
where: short stacking energy: -144.765
Base-Backbone interact. energy: -0.085
local terms energy: -154.990332
where:
bonds (distance) C4'-P energy: -32.843
bonds (distance) P-C4' energy: -27.184
flat angles C4'-P-C4' energy: -31.591
flat angles P-C4'-P energy: -18.590
tors. eta vs tors. theta energy: -44.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -526.141387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.141387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.141387 (E_RNA)
where:
Base-Base interactions energy: -370.423
where: short stacking energy: -151.415
Base-Backbone interact. energy: -0.125
local terms energy: -155.593572
where:
bonds (distance) C4'-P energy: -27.893
bonds (distance) P-C4' energy: -30.738
flat angles C4'-P-C4' energy: -28.233
flat angles P-C4'-P energy: -22.987
tors. eta vs tors. theta energy: -45.742
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: 4
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -520.081814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.081814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.081814 (E_RNA)
where:
Base-Base interactions energy: -365.225
where: short stacking energy: -139.896
Base-Backbone interact. energy: -0.181
local terms energy: -154.676098
where:
bonds (distance) C4'-P energy: -30.089
bonds (distance) P-C4' energy: -30.411
flat angles C4'-P-C4' energy: -33.322
flat angles P-C4'-P energy: -23.124
tors. eta vs tors. theta energy: -37.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -505.094363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.094363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.094363 (E_RNA)
where:
Base-Base interactions energy: -367.104
where: short stacking energy: -144.331
Base-Backbone interact. energy: -0.327
local terms energy: -137.663961
where:
bonds (distance) C4'-P energy: -24.451
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -31.759
flat angles P-C4'-P energy: -18.594
tors. eta vs tors. theta energy: -40.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -508.458748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.458748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.458748 (E_RNA)
where:
Base-Base interactions energy: -359.028
where: short stacking energy: -152.939
Base-Backbone interact. energy: -0.013
local terms energy: -149.417137
where:
bonds (distance) C4'-P energy: -25.824
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -30.398
flat angles P-C4'-P energy: -24.186
tors. eta vs tors. theta energy: -47.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -437.833272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.833272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.833272 (E_RNA)
where:
Base-Base interactions energy: -294.877
where: short stacking energy: -132.126
Base-Backbone interact. energy: -0.533
local terms energy: -142.423319
where:
bonds (distance) C4'-P energy: -22.785
bonds (distance) P-C4' energy: -30.216
flat angles C4'-P-C4' energy: -29.327
flat angles P-C4'-P energy: -23.763
tors. eta vs tors. theta energy: -36.333
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: 5
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -447.268160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.268160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.268160 (E_RNA)
where:
Base-Base interactions energy: -302.556
where: short stacking energy: -129.900
Base-Backbone interact. energy: -0.231
local terms energy: -144.480989
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -30.961
flat angles C4'-P-C4' energy: -30.100
flat angles P-C4'-P energy: -22.741
tors. eta vs tors. theta energy: -36.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -288.439707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.439707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.439707 (E_RNA)
where:
Base-Base interactions energy: -190.524
where: short stacking energy: -93.409
Base-Backbone interact. energy: -0.353
local terms energy: -97.562376
where:
bonds (distance) C4'-P energy: -22.438
bonds (distance) P-C4' energy: -20.314
flat angles C4'-P-C4' energy: -22.435
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -21.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -234.304772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.304772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.304772 (E_RNA)
where:
Base-Base interactions energy: -133.553
where: short stacking energy: -82.943
Base-Backbone interact. energy: -0.082
local terms energy: -100.670106
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -21.824
flat angles P-C4'-P energy: -16.943
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -132.360808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.360808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.360808 (E_RNA)
where:
Base-Base interactions energy: -50.899
where: short stacking energy: -39.801
Base-Backbone interact. energy: -0.721
local terms energy: -80.740895
where:
bonds (distance) C4'-P energy: -18.447
bonds (distance) P-C4' energy: -19.080
flat angles C4'-P-C4' energy: -28.001
flat angles P-C4'-P energy: -18.555
tors. eta vs tors. theta energy: 3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -531.693933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.693933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.693933 (E_RNA)
where:
Base-Base interactions energy: -370.045
where: short stacking energy: -149.705
Base-Backbone interact. energy: -0.086
local terms energy: -161.563038
where:
bonds (distance) C4'-P energy: -30.644
bonds (distance) P-C4' energy: -28.137
flat angles C4'-P-C4' energy: -29.804
flat angles P-C4'-P energy: -25.464
tors. eta vs tors. theta energy: -47.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -519.314421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.314421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.314421 (E_RNA)
where:
Base-Base interactions energy: -362.846
where: short stacking energy: -143.408
Base-Backbone interact. energy: -0.302
local terms energy: -156.167148
where:
bonds (distance) C4'-P energy: -23.525
bonds (distance) P-C4' energy: -33.192
flat angles C4'-P-C4' energy: -31.297
flat angles P-C4'-P energy: -24.720
tors. eta vs tors. theta energy: -43.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -525.135950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.135950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.135950 (E_RNA)
where:
Base-Base interactions energy: -371.660
where: short stacking energy: -157.911
Base-Backbone interact. energy: -0.678
local terms energy: -152.798595
where:
bonds (distance) C4'-P energy: -27.130
bonds (distance) P-C4' energy: -26.592
flat angles C4'-P-C4' energy: -29.788
flat angles P-C4'-P energy: -20.994
tors. eta vs tors. theta energy: -48.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -511.905183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.905183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.905183 (E_RNA)
where:
Base-Base interactions energy: -361.272
where: short stacking energy: -148.116
Base-Backbone interact. energy: -0.319
local terms energy: -150.314222
where:
bonds (distance) C4'-P energy: -23.293
bonds (distance) P-C4' energy: -32.232
flat angles C4'-P-C4' energy: -30.417
flat angles P-C4'-P energy: -18.994
tors. eta vs tors. theta energy: -45.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -494.432989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.432989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.432989 (E_RNA)
where:
Base-Base interactions energy: -363.208
where: short stacking energy: -140.676
Base-Backbone interact. energy: -0.280
local terms energy: -130.945082
where:
bonds (distance) C4'-P energy: -21.807
bonds (distance) P-C4' energy: -21.935
flat angles C4'-P-C4' energy: -29.147
flat angles P-C4'-P energy: -23.570
tors. eta vs tors. theta energy: -34.486
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: 5
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -462.314560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.314560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.314560 (E_RNA)
where:
Base-Base interactions energy: -325.159
where: short stacking energy: -138.645
Base-Backbone interact. energy: -0.150
local terms energy: -137.005787
where:
bonds (distance) C4'-P energy: -23.500
bonds (distance) P-C4' energy: -22.507
flat angles C4'-P-C4' energy: -30.406
flat angles P-C4'-P energy: -21.981
tors. eta vs tors. theta energy: -38.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -439.663573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.663573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.663573 (E_RNA)
where:
Base-Base interactions energy: -299.988
where: short stacking energy: -136.315
Base-Backbone interact. energy: -0.188
local terms energy: -139.488131
where:
bonds (distance) C4'-P energy: -29.626
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -31.389
flat angles P-C4'-P energy: -19.884
tors. eta vs tors. theta energy: -37.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -281.349777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.349777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.349777 (E_RNA)
where:
Base-Base interactions energy: -169.719
where: short stacking energy: -81.181
Base-Backbone interact. energy: -2.101
local terms energy: -109.529320
where:
bonds (distance) C4'-P energy: -24.707
bonds (distance) P-C4' energy: -25.956
flat angles C4'-P-C4' energy: -27.381
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -14.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -230.702855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.702855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.702855 (E_RNA)
where:
Base-Base interactions energy: -139.275
where: short stacking energy: -72.468
Base-Backbone interact. energy: 5.552
local terms energy: -96.979792
where:
bonds (distance) C4'-P energy: -27.402
bonds (distance) P-C4' energy: -23.237
flat angles C4'-P-C4' energy: -21.453
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -10.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -131.631907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.631907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.631907 (E_RNA)
where:
Base-Base interactions energy: -50.755
where: short stacking energy: -37.014
Base-Backbone interact. energy: -0.555
local terms energy: -80.321435
where:
bonds (distance) C4'-P energy: -26.172
bonds (distance) P-C4' energy: -25.035
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -8.437
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: 4
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -531.540107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.540107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.540107 (E_RNA)
where:
Base-Base interactions energy: -379.629
where: short stacking energy: -148.258
Base-Backbone interact. energy: -0.107
local terms energy: -151.804806
where:
bonds (distance) C4'-P energy: -26.541
bonds (distance) P-C4' energy: -28.004
flat angles C4'-P-C4' energy: -30.971
flat angles P-C4'-P energy: -23.502
tors. eta vs tors. theta energy: -42.787
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: 8
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -523.768848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.768848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.768848 (E_RNA)
where:
Base-Base interactions energy: -361.604
where: short stacking energy: -141.177
Base-Backbone interact. energy: -0.379
local terms energy: -161.785933
where:
bonds (distance) C4'-P energy: -33.513
bonds (distance) P-C4' energy: -30.503
flat angles C4'-P-C4' energy: -27.277
flat angles P-C4'-P energy: -22.786
tors. eta vs tors. theta energy: -47.707
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: 9
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -518.664486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.664486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.664486 (E_RNA)
where:
Base-Base interactions energy: -363.400
where: short stacking energy: -148.832
Base-Backbone interact. energy: -0.170
local terms energy: -155.094252
where:
bonds (distance) C4'-P energy: -29.676
bonds (distance) P-C4' energy: -25.387
flat angles C4'-P-C4' energy: -30.475
flat angles P-C4'-P energy: -20.730
tors. eta vs tors. theta energy: -48.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -505.055518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.055518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.055518 (E_RNA)
where:
Base-Base interactions energy: -355.486
where: short stacking energy: -152.266
Base-Backbone interact. energy: -0.295
local terms energy: -149.274653
where:
bonds (distance) C4'-P energy: -25.591
bonds (distance) P-C4' energy: -27.750
flat angles C4'-P-C4' energy: -31.532
flat angles P-C4'-P energy: -19.200
tors. eta vs tors. theta energy: -45.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -491.690436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.690436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.690436 (E_RNA)
where:
Base-Base interactions energy: -356.070
where: short stacking energy: -133.538
Base-Backbone interact. energy: -0.505
local terms energy: -135.115826
where:
bonds (distance) C4'-P energy: -22.326
bonds (distance) P-C4' energy: -28.465
flat angles C4'-P-C4' energy: -28.697
flat angles P-C4'-P energy: -22.941
tors. eta vs tors. theta energy: -32.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -457.146988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.146988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.146988 (E_RNA)
where:
Base-Base interactions energy: -319.491
where: short stacking energy: -124.198
Base-Backbone interact. energy: -0.195
local terms energy: -137.461222
where:
bonds (distance) C4'-P energy: -26.930
bonds (distance) P-C4' energy: -22.146
flat angles C4'-P-C4' energy: -27.972
flat angles P-C4'-P energy: -24.247
tors. eta vs tors. theta energy: -36.166
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: 6
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -411.349925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.349925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.349925 (E_RNA)
where:
Base-Base interactions energy: -290.223
where: short stacking energy: -123.652
Base-Backbone interact. energy: 0.306
local terms energy: -121.433539
where:
bonds (distance) C4'-P energy: -18.473
bonds (distance) P-C4' energy: -21.040
flat angles C4'-P-C4' energy: -24.364
flat angles P-C4'-P energy: -19.512
tors. eta vs tors. theta energy: -38.045
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: 8, replica: 3
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -272.776253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.776253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.776253 (E_RNA)
where:
Base-Base interactions energy: -167.748
where: short stacking energy: -78.690
Base-Backbone interact. energy: -0.975
local terms energy: -104.053735
where:
bonds (distance) C4'-P energy: -29.038
bonds (distance) P-C4' energy: -24.768
flat angles C4'-P-C4' energy: -21.240
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -16.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -211.207552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.207552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.207552 (E_RNA)
where:
Base-Base interactions energy: -124.685
where: short stacking energy: -66.374
Base-Backbone interact. energy: -0.291
local terms energy: -86.231399
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -27.822
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -4.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -139.215021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.215021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.215021 (E_RNA)
where:
Base-Base interactions energy: -60.429
where: short stacking energy: -48.691
Base-Backbone interact. energy: 1.127
local terms energy: -79.912919
where:
bonds (distance) C4'-P energy: -25.510
bonds (distance) P-C4' energy: -26.805
flat angles C4'-P-C4' energy: -26.511
flat angles P-C4'-P energy: -2.496
tors. eta vs tors. theta energy: 1.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -533.402898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.402898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.402898 (E_RNA)
where:
Base-Base interactions energy: -374.047
where: short stacking energy: -146.732
Base-Backbone interact. energy: -0.256
local terms energy: -159.100100
where:
bonds (distance) C4'-P energy: -26.603
bonds (distance) P-C4' energy: -32.701
flat angles C4'-P-C4' energy: -34.027
flat angles P-C4'-P energy: -20.271
tors. eta vs tors. theta energy: -45.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -519.813394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.813394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.813394 (E_RNA)
where:
Base-Base interactions energy: -359.409
where: short stacking energy: -146.009
Base-Backbone interact. energy: -0.905
local terms energy: -159.499332
where:
bonds (distance) C4'-P energy: -29.744
bonds (distance) P-C4' energy: -24.774
flat angles C4'-P-C4' energy: -31.972
flat angles P-C4'-P energy: -27.180
tors. eta vs tors. theta energy: -45.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -509.644433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.644433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.644433 (E_RNA)
where:
Base-Base interactions energy: -360.830
where: short stacking energy: -148.119
Base-Backbone interact. energy: -0.470
local terms energy: -148.344111
where:
bonds (distance) C4'-P energy: -24.353
bonds (distance) P-C4' energy: -26.817
flat angles C4'-P-C4' energy: -31.471
flat angles P-C4'-P energy: -21.270
tors. eta vs tors. theta energy: -44.433
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: 4, replica: 10
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -514.590641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.590641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.590641 (E_RNA)
where:
Base-Base interactions energy: -360.716
where: short stacking energy: -150.699
Base-Backbone interact. energy: -0.585
local terms energy: -153.289755
where:
bonds (distance) C4'-P energy: -23.904
bonds (distance) P-C4' energy: -25.671
flat angles C4'-P-C4' energy: -31.014
flat angles P-C4'-P energy: -22.036
tors. eta vs tors. theta energy: -50.665
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: 495
Temperature: 1.100000
Total energy: -487.234145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.234145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.234145 (E_RNA)
where:
Base-Base interactions energy: -369.442
where: short stacking energy: -138.280
Base-Backbone interact. energy: -0.246
local terms energy: -117.546686
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -22.899
flat angles C4'-P-C4' energy: -29.041
flat angles P-C4'-P energy: -22.607
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: 5
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -481.064882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.064882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.064882 (E_RNA)
where:
Base-Base interactions energy: -344.632
where: short stacking energy: -134.898
Base-Backbone interact. energy: -0.433
local terms energy: -135.999159
where:
bonds (distance) C4'-P energy: -28.922
bonds (distance) P-C4' energy: -25.605
flat angles C4'-P-C4' energy: -25.127
flat angles P-C4'-P energy: -19.769
tors. eta vs tors. theta energy: -36.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -405.294513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.294513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.294513 (E_RNA)
where:
Base-Base interactions energy: -286.775
where: short stacking energy: -112.305
Base-Backbone interact. energy: -0.202
local terms energy: -118.316961
where:
bonds (distance) C4'-P energy: -29.662
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -29.246
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -29.370
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: 3
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -283.031321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.031321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.031321 (E_RNA)
where:
Base-Base interactions energy: -174.230
where: short stacking energy: -80.648
Base-Backbone interact. energy: -0.283
local terms energy: -108.518234
where:
bonds (distance) C4'-P energy: -24.265
bonds (distance) P-C4' energy: -27.475
flat angles C4'-P-C4' energy: -22.247
flat angles P-C4'-P energy: -18.420
tors. eta vs tors. theta energy: -16.111
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: 495
Temperature: 1.300000
Total energy: -207.081288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.081288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.081288 (E_RNA)
where:
Base-Base interactions energy: -125.174
where: short stacking energy: -63.623
Base-Backbone interact. energy: 1.554
local terms energy: -83.461921
where:
bonds (distance) C4'-P energy: -24.943
bonds (distance) P-C4' energy: -22.428
flat angles C4'-P-C4' energy: -22.640
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: 1.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -139.049129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.049129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.049129 (E_RNA)
where:
Base-Base interactions energy: -46.223
where: short stacking energy: -40.768
Base-Backbone interact. energy: -0.762
local terms energy: -92.064520
where:
bonds (distance) C4'-P energy: -25.638
bonds (distance) P-C4' energy: -27.757
flat angles C4'-P-C4' energy: -24.955
flat angles P-C4'-P energy: -11.649
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: 1, replica: 4
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -528.142277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.142277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.142277 (E_RNA)
where:
Base-Base interactions energy: -381.610
where: short stacking energy: -148.994
Base-Backbone interact. energy: -0.340
local terms energy: -146.192916
where:
bonds (distance) C4'-P energy: -27.654
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -32.876
flat angles P-C4'-P energy: -22.136
tors. eta vs tors. theta energy: -43.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -523.293574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.293574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.293574 (E_RNA)
where:
Base-Base interactions energy: -369.272
where: short stacking energy: -151.941
Base-Backbone interact. energy: -0.066
local terms energy: -153.955570
where:
bonds (distance) C4'-P energy: -31.699
bonds (distance) P-C4' energy: -23.461
flat angles C4'-P-C4' energy: -27.140
flat angles P-C4'-P energy: -23.513
tors. eta vs tors. theta energy: -48.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -518.068744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.068744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.068744 (E_RNA)
where:
Base-Base interactions energy: -365.709
where: short stacking energy: -150.225
Base-Backbone interact. energy: -0.401
local terms energy: -151.958676
where:
bonds (distance) C4'-P energy: -24.233
bonds (distance) P-C4' energy: -26.338
flat angles C4'-P-C4' energy: -30.916
flat angles P-C4'-P energy: -23.986
tors. eta vs tors. theta energy: -46.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -502.792386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.792386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.792386 (E_RNA)
where:
Base-Base interactions energy: -351.137
where: short stacking energy: -140.246
Base-Backbone interact. energy: -0.043
local terms energy: -151.612839
where:
bonds (distance) C4'-P energy: -29.235
bonds (distance) P-C4' energy: -27.153
flat angles C4'-P-C4' energy: -25.878
flat angles P-C4'-P energy: -24.852
tors. eta vs tors. theta energy: -44.495
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: 2
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -495.260080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.260080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.260080 (E_RNA)
where:
Base-Base interactions energy: -350.243
where: short stacking energy: -119.289
Base-Backbone interact. energy: 0.680
local terms energy: -145.696533
where:
bonds (distance) C4'-P energy: -28.678
bonds (distance) P-C4' energy: -30.235
flat angles C4'-P-C4' energy: -27.377
flat angles P-C4'-P energy: -24.343
tors. eta vs tors. theta energy: -35.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -481.110431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.110431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.110431 (E_RNA)
where:
Base-Base interactions energy: -345.757
where: short stacking energy: -131.727
Base-Backbone interact. energy: -0.109
local terms energy: -135.244017
where:
bonds (distance) C4'-P energy: -24.835
bonds (distance) P-C4' energy: -23.147
flat angles C4'-P-C4' energy: -29.256
flat angles P-C4'-P energy: -18.018
tors. eta vs tors. theta energy: -39.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -402.637798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.637798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.637798 (E_RNA)
where:
Base-Base interactions energy: -266.766
where: short stacking energy: -121.241
Base-Backbone interact. energy: -0.260
local terms energy: -135.612038
where:
bonds (distance) C4'-P energy: -24.204
bonds (distance) P-C4' energy: -29.828
flat angles C4'-P-C4' energy: -26.768
flat angles P-C4'-P energy: -23.292
tors. eta vs tors. theta energy: -31.520
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: 3
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -269.647271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.647271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.647271 (E_RNA)
where:
Base-Base interactions energy: -163.628
where: short stacking energy: -83.702
Base-Backbone interact. energy: -1.081
local terms energy: -104.938031
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -25.289
flat angles C4'-P-C4' energy: -23.807
flat angles P-C4'-P energy: -18.247
tors. eta vs tors. theta energy: -20.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -207.432439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.432439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.432439 (E_RNA)
where:
Base-Base interactions energy: -104.613
where: short stacking energy: -54.716
Base-Backbone interact. energy: -0.448
local terms energy: -102.371698
where:
bonds (distance) C4'-P energy: -24.567
bonds (distance) P-C4' energy: -27.875
flat angles C4'-P-C4' energy: -25.705
flat angles P-C4'-P energy: -18.378
tors. eta vs tors. theta energy: -5.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -125.430446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.430446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.430446 (E_RNA)
where:
Base-Base interactions energy: -62.273
where: short stacking energy: -59.181
Base-Backbone interact. energy: -0.230
local terms energy: -62.927150
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -526.242894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.242894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.242894 (E_RNA)
where:
Base-Base interactions energy: -379.554
where: short stacking energy: -154.191
Base-Backbone interact. energy: -1.195
local terms energy: -145.493163
where:
bonds (distance) C4'-P energy: -28.038
bonds (distance) P-C4' energy: -28.641
flat angles C4'-P-C4' energy: -29.073
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: -41.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -523.526278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.526278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.526278 (E_RNA)
where:
Base-Base interactions energy: -365.197
where: short stacking energy: -143.857
Base-Backbone interact. energy: -0.213
local terms energy: -158.116175
where:
bonds (distance) C4'-P energy: -29.658
bonds (distance) P-C4' energy: -31.671
flat angles C4'-P-C4' energy: -29.636
flat angles P-C4'-P energy: -25.656
tors. eta vs tors. theta energy: -41.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -518.935937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.935937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.935937 (E_RNA)
where:
Base-Base interactions energy: -370.402
where: short stacking energy: -149.100
Base-Backbone interact. energy: -0.003
local terms energy: -148.531008
where:
bonds (distance) C4'-P energy: -22.674
bonds (distance) P-C4' energy: -26.662
flat angles C4'-P-C4' energy: -32.170
flat angles P-C4'-P energy: -20.621
tors. eta vs tors. theta energy: -46.404
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: 2
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -500.794006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.794006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.794006 (E_RNA)
where:
Base-Base interactions energy: -363.075
where: short stacking energy: -137.313
Base-Backbone interact. energy: -0.154
local terms energy: -137.565655
where:
bonds (distance) C4'-P energy: -25.026
bonds (distance) P-C4' energy: -26.670
flat angles C4'-P-C4' energy: -25.027
flat angles P-C4'-P energy: -20.344
tors. eta vs tors. theta energy: -40.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -501.491671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.491671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.491671 (E_RNA)
where:
Base-Base interactions energy: -355.677
where: short stacking energy: -155.107
Base-Backbone interact. energy: -0.208
local terms energy: -145.607248
where:
bonds (distance) C4'-P energy: -25.869
bonds (distance) P-C4' energy: -24.006
flat angles C4'-P-C4' energy: -28.799
flat angles P-C4'-P energy: -19.214
tors. eta vs tors. theta energy: -47.719
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: 5
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -475.876405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.876405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.876405 (E_RNA)
where:
Base-Base interactions energy: -326.986
where: short stacking energy: -138.118
Base-Backbone interact. energy: 0.784
local terms energy: -149.674379
where:
bonds (distance) C4'-P energy: -30.968
bonds (distance) P-C4' energy: -24.798
flat angles C4'-P-C4' energy: -28.288
flat angles P-C4'-P energy: -22.933
tors. eta vs tors. theta energy: -42.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -394.414318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.414318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.414318 (E_RNA)
where:
Base-Base interactions energy: -261.772
where: short stacking energy: -120.598
Base-Backbone interact. energy: -0.024
local terms energy: -132.618270
where:
bonds (distance) C4'-P energy: -26.697
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -30.365
flat angles P-C4'-P energy: -18.481
tors. eta vs tors. theta energy: -33.785
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: 8, replica: 3
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -289.849853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.849853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.849853 (E_RNA)
where:
Base-Base interactions energy: -178.041
where: short stacking energy: -85.571
Base-Backbone interact. energy: -1.173
local terms energy: -110.635291
where:
bonds (distance) C4'-P energy: -29.977
bonds (distance) P-C4' energy: -28.503
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -20.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -201.603198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.603198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.603198 (E_RNA)
where:
Base-Base interactions energy: -107.363
where: short stacking energy: -51.913
Base-Backbone interact. energy: -0.622
local terms energy: -93.617888
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -26.164
flat angles C4'-P-C4' energy: -25.107
flat angles P-C4'-P energy: -20.038
tors. eta vs tors. theta energy: -4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -145.332636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.332636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.332636 (E_RNA)
where:
Base-Base interactions energy: -58.967
where: short stacking energy: -34.021
Base-Backbone interact. energy: 0.691
local terms energy: -87.056750
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -28.466
flat angles C4'-P-C4' energy: -29.337
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: 0.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -534.676669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.676669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.676669 (E_RNA)
where:
Base-Base interactions energy: -380.541
where: short stacking energy: -146.989
Base-Backbone interact. energy: -0.168
local terms energy: -153.967781
where:
bonds (distance) C4'-P energy: -30.950
bonds (distance) P-C4' energy: -31.235
flat angles C4'-P-C4' energy: -29.955
flat angles P-C4'-P energy: -22.389
tors. eta vs tors. theta energy: -39.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -526.069528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.069528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.069528 (E_RNA)
where:
Base-Base interactions energy: -376.713
where: short stacking energy: -146.892
Base-Backbone interact. energy: -1.307
local terms energy: -148.049158
where:
bonds (distance) C4'-P energy: -24.579
bonds (distance) P-C4' energy: -30.623
flat angles C4'-P-C4' energy: -33.291
flat angles P-C4'-P energy: -22.148
tors. eta vs tors. theta energy: -37.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -531.921223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.921223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.921223 (E_RNA)
where:
Base-Base interactions energy: -375.784
where: short stacking energy: -150.352
Base-Backbone interact. energy: -0.107
local terms energy: -156.029646
where:
bonds (distance) C4'-P energy: -28.256
bonds (distance) P-C4' energy: -24.344
flat angles C4'-P-C4' energy: -34.238
flat angles P-C4'-P energy: -23.454
tors. eta vs tors. theta energy: -45.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -513.973006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.973006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.973006 (E_RNA)
where:
Base-Base interactions energy: -369.433
where: short stacking energy: -143.220
Base-Backbone interact. energy: -0.079
local terms energy: -144.461763
where:
bonds (distance) C4'-P energy: -30.159
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -33.677
flat angles P-C4'-P energy: -23.359
tors. eta vs tors. theta energy: -34.461
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: 5, replica: 5
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -463.384989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.384989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.384989 (E_RNA)
where:
Base-Base interactions energy: -319.704
where: short stacking energy: -132.833
Base-Backbone interact. energy: -0.086
local terms energy: -143.595484
where:
bonds (distance) C4'-P energy: -22.816
bonds (distance) P-C4' energy: -29.429
flat angles C4'-P-C4' energy: -30.638
flat angles P-C4'-P energy: -19.377
tors. eta vs tors. theta energy: -41.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -492.851419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.851419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.851419 (E_RNA)
where:
Base-Base interactions energy: -357.361
where: short stacking energy: -151.233
Base-Backbone interact. energy: -0.198
local terms energy: -135.292355
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -27.790
flat angles P-C4'-P energy: -18.515
tors. eta vs tors. theta energy: -45.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -284.054414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.054414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.054414 (E_RNA)
where:
Base-Base interactions energy: -175.733
where: short stacking energy: -90.123
Base-Backbone interact. energy: 0.751
local terms energy: -109.072276
where:
bonds (distance) C4'-P energy: -22.417
bonds (distance) P-C4' energy: -25.363
flat angles C4'-P-C4' energy: -26.183
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: -12.370
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: 6
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -403.715684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.715684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.715684 (E_RNA)
where:
Base-Base interactions energy: -285.003
where: short stacking energy: -123.103
Base-Backbone interact. energy: -0.932
local terms energy: -117.780510
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -28.600
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -37.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -142.215784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.215784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.215784 (E_RNA)
where:
Base-Base interactions energy: -61.834
where: short stacking energy: -41.910
Base-Backbone interact. energy: 0.099
local terms energy: -80.480777
where:
bonds (distance) C4'-P energy: -21.332
bonds (distance) P-C4' energy: -25.762
flat angles C4'-P-C4' energy: -29.717
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: 5.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -203.715749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.715749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.715749 (E_RNA)
where:
Base-Base interactions energy: -125.136
where: short stacking energy: -54.721
Base-Backbone interact. energy: -0.139
local terms energy: -78.440559
where:
bonds (distance) C4'-P energy: -19.194
bonds (distance) P-C4' energy: -23.626
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -524.390450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.390450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.390450 (E_RNA)
where:
Base-Base interactions energy: -371.944
where: short stacking energy: -149.636
Base-Backbone interact. energy: -0.930
local terms energy: -151.517067
where:
bonds (distance) C4'-P energy: -24.504
bonds (distance) P-C4' energy: -30.531
flat angles C4'-P-C4' energy: -36.002
flat angles P-C4'-P energy: -19.815
tors. eta vs tors. theta energy: -40.664
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: 499
Temperature: 0.950000
Total energy: -526.299002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.299002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.299002 (E_RNA)
where:
Base-Base interactions energy: -372.114
where: short stacking energy: -158.805
Base-Backbone interact. energy: -0.210
local terms energy: -153.975177
where:
bonds (distance) C4'-P energy: -26.749
bonds (distance) P-C4' energy: -32.298
flat angles C4'-P-C4' energy: -31.876
flat angles P-C4'-P energy: -17.680
tors. eta vs tors. theta energy: -45.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -512.668529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.668529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.668529 (E_RNA)
where:
Base-Base interactions energy: -374.696
where: short stacking energy: -143.971
Base-Backbone interact. energy: 1.225
local terms energy: -139.197899
where:
bonds (distance) C4'-P energy: -21.595
bonds (distance) P-C4' energy: -21.701
flat angles C4'-P-C4' energy: -30.098
flat angles P-C4'-P energy: -24.417
tors. eta vs tors. theta energy: -41.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -504.667227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.667227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.667227 (E_RNA)
where:
Base-Base interactions energy: -367.313
where: short stacking energy: -141.102
Base-Backbone interact. energy: -0.574
local terms energy: -136.779562
where:
bonds (distance) C4'-P energy: -26.513
bonds (distance) P-C4' energy: -21.996
flat angles C4'-P-C4' energy: -31.786
flat angles P-C4'-P energy: -23.606
tors. eta vs tors. theta energy: -32.878
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: 5
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -455.917428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.917428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.917428 (E_RNA)
where:
Base-Base interactions energy: -320.750
where: short stacking energy: -132.448
Base-Backbone interact. energy: -0.668
local terms energy: -134.499799
where:
bonds (distance) C4'-P energy: -23.024
bonds (distance) P-C4' energy: -30.593
flat angles C4'-P-C4' energy: -26.135
flat angles P-C4'-P energy: -15.757
tors. eta vs tors. theta energy: -38.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -495.499050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.499050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.499050 (E_RNA)
where:
Base-Base interactions energy: -348.310
where: short stacking energy: -137.826
Base-Backbone interact. energy: -0.133
local terms energy: -147.056108
where:
bonds (distance) C4'-P energy: -24.591
bonds (distance) P-C4' energy: -24.332
flat angles C4'-P-C4' energy: -34.172
flat angles P-C4'-P energy: -20.770
tors. eta vs tors. theta energy: -43.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -286.911989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.911989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.911989 (E_RNA)
where:
Base-Base interactions energy: -188.852
where: short stacking energy: -81.261
Base-Backbone interact. energy: -0.381
local terms energy: -97.679057
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -28.951
flat angles P-C4'-P energy: -17.449
tors. eta vs tors. theta energy: -18.028
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: 6
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -369.444430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.444430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.444430 (E_RNA)
where:
Base-Base interactions energy: -255.451
where: short stacking energy: -103.368
Base-Backbone interact. energy: -0.164
local terms energy: -113.829613
where:
bonds (distance) C4'-P energy: -20.659
bonds (distance) P-C4' energy: -25.384
flat angles C4'-P-C4' energy: -26.858
flat angles P-C4'-P energy: -17.779
tors. eta vs tors. theta energy: -23.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -174.248716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.248716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.248716 (E_RNA)
where:
Base-Base interactions energy: -69.649
where: short stacking energy: -56.506
Base-Backbone interact. energy: -0.171
local terms energy: -104.428457
where:
bonds (distance) C4'-P energy: -24.171
bonds (distance) P-C4' energy: -30.886
flat angles C4'-P-C4' energy: -26.082
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -12.793
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: 499
Temperature: 1.350000
Total energy: -200.896542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.896542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.896542 (E_RNA)
where:
Base-Base interactions energy: -103.716
where: short stacking energy: -51.933
Base-Backbone interact. energy: -2.190
local terms energy: -94.990419
where:
bonds (distance) C4'-P energy: -24.071
bonds (distance) P-C4' energy: -22.298
flat angles C4'-P-C4' energy: -23.331
flat angles P-C4'-P energy: -20.932
tors. eta vs tors. theta energy: -4.359
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: 9
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -533.386165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.386165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.386165 (E_RNA)
where:
Base-Base interactions energy: -383.878
where: short stacking energy: -155.866
Base-Backbone interact. energy: -0.262
local terms energy: -149.246541
where:
bonds (distance) C4'-P energy: -25.022
bonds (distance) P-C4' energy: -28.815
flat angles C4'-P-C4' energy: -32.965
flat angles P-C4'-P energy: -17.129
tors. eta vs tors. theta energy: -45.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -521.136005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.136005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.136005 (E_RNA)
where:
Base-Base interactions energy: -370.370
where: short stacking energy: -148.042
Base-Backbone interact. energy: 0.524
local terms energy: -151.289845
where:
bonds (distance) C4'-P energy: -26.806
bonds (distance) P-C4' energy: -25.058
flat angles C4'-P-C4' energy: -28.998
flat angles P-C4'-P energy: -27.425
tors. eta vs tors. theta energy: -43.003
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: 3, replica: 4
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -516.868359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.868359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.868359 (E_RNA)
where:
Base-Base interactions energy: -363.572
where: short stacking energy: -145.012
Base-Backbone interact. energy: -0.097
local terms energy: -153.200074
where:
bonds (distance) C4'-P energy: -29.832
bonds (distance) P-C4' energy: -25.762
flat angles C4'-P-C4' energy: -31.226
flat angles P-C4'-P energy: -23.264
tors. eta vs tors. theta energy: -43.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -503.996630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.996630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.996630 (E_RNA)
where:
Base-Base interactions energy: -358.909
where: short stacking energy: -137.953
Base-Backbone interact. energy: 0.953
local terms energy: -146.040954
where:
bonds (distance) C4'-P energy: -29.806
bonds (distance) P-C4' energy: -24.660
flat angles C4'-P-C4' energy: -33.050
flat angles P-C4'-P energy: -24.828
tors. eta vs tors. theta energy: -33.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -498.309812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.309812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.309812 (E_RNA)
where:
Base-Base interactions energy: -366.607
where: short stacking energy: -144.590
Base-Backbone interact. energy: -0.040
local terms energy: -131.663203
where:
bonds (distance) C4'-P energy: -18.937
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -29.802
flat angles P-C4'-P energy: -19.794
tors. eta vs tors. theta energy: -45.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -464.272589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.272589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.272589 (E_RNA)
where:
Base-Base interactions energy: -324.363
where: short stacking energy: -134.030
Base-Backbone interact. energy: -0.412
local terms energy: -139.497280
where:
bonds (distance) C4'-P energy: -29.232
bonds (distance) P-C4' energy: -25.827
flat angles C4'-P-C4' energy: -27.853
flat angles P-C4'-P energy: -15.209
tors. eta vs tors. theta energy: -41.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -356.867666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.867666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.867666 (E_RNA)
where:
Base-Base interactions energy: -239.696
where: short stacking energy: -111.127
Base-Backbone interact. energy: -0.653
local terms energy: -116.518812
where:
bonds (distance) C4'-P energy: -20.373
bonds (distance) P-C4' energy: -24.454
flat angles C4'-P-C4' energy: -24.300
flat angles P-C4'-P energy: -21.358
tors. eta vs tors. theta energy: -26.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -281.835783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.835783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.835783 (E_RNA)
where:
Base-Base interactions energy: -176.908
where: short stacking energy: -75.807
Base-Backbone interact. energy: -1.429
local terms energy: -103.499451
where:
bonds (distance) C4'-P energy: -24.491
bonds (distance) P-C4' energy: -21.667
flat angles C4'-P-C4' energy: -27.875
flat angles P-C4'-P energy: -19.667
tors. eta vs tors. theta energy: -9.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -207.696783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.696783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.696783 (E_RNA)
where:
Base-Base interactions energy: -111.273
where: short stacking energy: -67.277
Base-Backbone interact. energy: -0.240
local terms energy: -96.183046
where:
bonds (distance) C4'-P energy: -23.983
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -19.834
flat angles P-C4'-P energy: -22.962
tors. eta vs tors. theta energy: -8.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -119.808297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.808297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.808297 (E_RNA)
where:
Base-Base interactions energy: -41.301
where: short stacking energy: -38.916
Base-Backbone interact. energy: 0.982
local terms energy: -79.488835
where:
bonds (distance) C4'-P energy: -22.974
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -27.371
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: 6.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -536.933428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.933428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.933428 (E_RNA)
where:
Base-Base interactions energy: -379.246
where: short stacking energy: -162.186
Base-Backbone interact. energy: -0.742
local terms energy: -156.945197
where:
bonds (distance) C4'-P energy: -25.397
bonds (distance) P-C4' energy: -25.372
flat angles C4'-P-C4' energy: -31.060
flat angles P-C4'-P energy: -25.842
tors. eta vs tors. theta energy: -49.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -518.420492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.420492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.420492 (E_RNA)
where:
Base-Base interactions energy: -366.444
where: short stacking energy: -148.861
Base-Backbone interact. energy: -0.096
local terms energy: -151.880380
where:
bonds (distance) C4'-P energy: -31.844
bonds (distance) P-C4' energy: -22.558
flat angles C4'-P-C4' energy: -28.688
flat angles P-C4'-P energy: -24.736
tors. eta vs tors. theta energy: -44.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -521.606621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.606621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.606621 (E_RNA)
where:
Base-Base interactions energy: -368.878
where: short stacking energy: -144.548
Base-Backbone interact. energy: -0.111
local terms energy: -152.617386
where:
bonds (distance) C4'-P energy: -29.182
bonds (distance) P-C4' energy: -22.693
flat angles C4'-P-C4' energy: -32.462
flat angles P-C4'-P energy: -24.528
tors. eta vs tors. theta energy: -43.752
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: 10
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -503.964751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.964751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.964751 (E_RNA)
where:
Base-Base interactions energy: -366.041
where: short stacking energy: -143.475
Base-Backbone interact. energy: -0.254
local terms energy: -137.670365
where:
bonds (distance) C4'-P energy: -26.342
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -25.401
flat angles P-C4'-P energy: -19.926
tors. eta vs tors. theta energy: -43.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -492.291569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.291569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.291569 (E_RNA)
where:
Base-Base interactions energy: -354.629
where: short stacking energy: -137.066
Base-Backbone interact. energy: -0.501
local terms energy: -137.161561
where:
bonds (distance) C4'-P energy: -26.211
bonds (distance) P-C4' energy: -28.064
flat angles C4'-P-C4' energy: -28.632
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -41.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -482.084897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.084897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.084897 (E_RNA)
where:
Base-Base interactions energy: -325.027
where: short stacking energy: -144.045
Base-Backbone interact. energy: -1.198
local terms energy: -155.859920
where:
bonds (distance) C4'-P energy: -31.021
bonds (distance) P-C4' energy: -26.657
flat angles C4'-P-C4' energy: -30.837
flat angles P-C4'-P energy: -22.035
tors. eta vs tors. theta energy: -45.311
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: 6
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -408.101920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.101920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.101920 (E_RNA)
where:
Base-Base interactions energy: -289.029
where: short stacking energy: -120.481
Base-Backbone interact. energy: 0.538
local terms energy: -119.610329
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -18.742
flat angles C4'-P-C4' energy: -33.041
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -36.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -310.390735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.390735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.390735 (E_RNA)
where:
Base-Base interactions energy: -208.179
where: short stacking energy: -90.524
Base-Backbone interact. energy: -0.747
local terms energy: -101.464237
where:
bonds (distance) C4'-P energy: -20.827
bonds (distance) P-C4' energy: -27.074
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -20.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -223.750629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.750629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.750629 (E_RNA)
where:
Base-Base interactions energy: -130.295
where: short stacking energy: -65.634
Base-Backbone interact. energy: -0.472
local terms energy: -92.983149
where:
bonds (distance) C4'-P energy: -26.910
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -22.658
flat angles P-C4'-P energy: -17.836
tors. eta vs tors. theta energy: -7.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -141.499131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.499131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.499131 (E_RNA)
where:
Base-Base interactions energy: -55.580
where: short stacking energy: -46.624
Base-Backbone interact. energy: -0.495
local terms energy: -85.423888
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -28.921
flat angles C4'-P-C4' energy: -28.347
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 9 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 26372103
moves confirmed later: 30149311
all moves confirmed: 56521414
percent of confirmed moves: 7.065177
current total energy: -503.319657
recalc. total energy: -503.319657
replica 4 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 37940755
moves confirmed later: 45688870
all moves confirmed: 83629625
percent of confirmed moves: 10.453703
current total energy: -468.676883
recalc. total energy: -468.676883
replica 10 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 22497301
moves confirmed later: 25222228
all moves confirmed: 47719529
percent of confirmed moves: 5.964941
current total energy: -484.285153
recalc. total energy: -484.285153
replica 8 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 23534351
moves confirmed later: 26549018
all moves confirmed: 50083369
percent of confirmed moves: 6.260421
current total energy: -478.600294
recalc. total energy: -478.600294
replica 2 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 25139620
moves confirmed later: 28717433
all moves confirmed: 53857053
percent of confirmed moves: 6.732132
current total energy: -463.523658
recalc. total energy: -463.523658
replica 5 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 17773678
moves confirmed later: 18933997
all moves confirmed: 36707675
percent of confirmed moves: 4.588459
current total energy: -422.303915
recalc. total energy: -422.303915
replica 6 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 21023326
moves confirmed later: 23333071
all moves confirmed: 44356397
percent of confirmed moves: 5.544550
current total energy: -367.132227
recalc. total energy: -367.132227
replica 3 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 23726569
moves confirmed later: 26898292
all moves confirmed: 50624861
percent of confirmed moves: 6.328108
current total energy: -237.223283
recalc. total energy: -237.223283
replica 1 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 29209835
moves confirmed later: 33906695
all moves confirmed: 63116530
percent of confirmed moves: 7.889566
current total energy: -148.894740
recalc. total energy: -148.894740
replica 7 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 48911312
moves confirmed later: 59976266
all moves confirmed: 108887578
percent of confirmed moves: 13.610947
current total energy: -74.051193
recalc. total energy: -74.051193
out arg RESULTS//1/2KX8-c5ddbc40_01
Time of doing 8000000 iterations: 6282.861 seconds